cif
stringlengths 674
4.09k
| formula
stringlengths 1
20
| spacegroup
stringlengths 2
10
| spacegroup_number
int64 1
230
| crystal_system
stringclasses 7
values | pointgroup
stringlengths 1
5
| density
float64 91.6
41.4k
| is_longer_than_allowed
bool 2
classes |
|---|---|---|---|---|---|---|---|
[CIF]
data_TiMnVRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.22304089
_cell_length_b 4.22304089
_cell_length_c 4.22304089
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiMnVRu
_chemical_formula_sum 'Ti1 Mn1 V1 Ru1'
_cell_volume 53.25505794
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mn Mn0 1 4.47921127 4.47921127 4.47921127 1
Ru Ru1 1 1.49307043 1.49307043 1.49307042 1
Ti Ti2 1 0.00000000 0.00000000 0.00000000 1
V V3 1 2.98614085 2.98614085 2.98614085 1
[/CIF]
|
MnRuTiV
|
F-43m
| 216 |
cubic
|
-43m
| 7,945.401697 | false |
[CIF]
data_HfMoBr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.07942098
_cell_length_b 9.07942098
_cell_length_c 9.07942098
_cell_angle_alpha 20.11574875
_cell_angle_beta 20.11574875
_cell_angle_gamma 20.11574875
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfMoBr2
_chemical_formula_sum 'Hf1 Mo1 Br2'
_cell_volume 77.45534495
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Br Br0 1 -0.00000000 -0.00000000 20.02898795 1
Br Br1 1 0.00000000 -0.00000000 6.64967982 1
Hf Hf2 1 -0.00000000 -0.00000000 13.33933388 1
Mo Mo3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
|
Br2HfMo
|
R-3m
| 166 |
trigonal
|
-3m
| 9,309.911074 | false |
[CIF]
data_NaV2Hg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.13367865
_cell_length_b 3.13367865
_cell_length_c 7.94444630
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaV2Hg
_chemical_formula_sum 'Na1 V2 Hg1'
_cell_volume 78.01400095
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hg Hg0 1 1.56683932 1.56683932 3.60684790 1
Na Na1 1 0.00000000 0.00000000 6.01921365 1
V V2 1 1.56683932 1.56683932 0.61641348 1
V V3 1 0.00000000 0.00000000 1.67419442 1
[/CIF]
|
HgNaV2
|
P4mm
| 99 |
tetragonal
|
4mm
| 6,927.52117 | false |
[CIF]
data_MgAlSnAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.90681849
_cell_length_b 4.90681849
_cell_length_c 4.90681849
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgAlSnAu
_chemical_formula_sum 'Mg1 Al1 Sn1 Au1'
_cell_volume 83.53817478
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al Al0 1 5.20446695 5.20446695 5.20446695 1
Au Au1 1 3.46964463 3.46964463 3.46964463 1
Mg Mg2 1 0.00000000 0.00000000 0.00000000 1
Sn Sn3 1 1.73482231 1.73482231 1.73482231 1
[/CIF]
|
AlAuMgSn
|
F-43m
| 216 |
cubic
|
-43m
| 7,294.348695 | false |
[CIF]
data_BiIrOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.45732500
_cell_length_b 4.45732500
_cell_length_c 4.45732500
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BiIrOs
_chemical_formula_sum 'Bi1 Ir1 Os1'
_cell_volume 62.61925617
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Bi Bi0 1 3.15180473 3.15180473 3.15180473 1
Ir Ir1 1 4.72770710 4.72770710 4.72770710 1
Os Os2 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
|
BiIrOs
|
F-43m
| 216 |
cubic
|
-43m
| 15,683.487202 | false |
[CIF]
data_KSrMnNb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.09994091
_cell_length_b 5.09994091
_cell_length_c 5.09994091
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KSrMnNb
_chemical_formula_sum 'K1 Sr1 Mn1 Nb1'
_cell_volume 93.79516126
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
K K0 1 0.00000000 0.00000000 0.00000000 1
Mn Mn1 1 5.40930420 5.40930420 5.40930420 1
Nb Nb2 1 3.60620280 3.60620280 3.60620280 1
Sr Sr3 1 1.80310140 1.80310140 1.80310140 1
[/CIF]
|
KMnNbSr
|
F-43m
| 216 |
cubic
|
-43m
| 4,860.82784 | false |
[CIF]
data_Y2CoSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.43344484
_cell_length_b 3.43344484
_cell_length_c 6.83352297
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.84163112
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y2CoSi
_chemical_formula_sum 'Y2 Co1 Si1'
_cell_volume 80.54859185
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Co Co0 1 0.00000000 0.00000000 3.41676148 1
Si Si1 1 0.00000000 0.00000000 0.00000000 1
Y Y2 1 2.40991546 0.00000000 1.78883495 1
Y Y3 1 2.40991546 0.00000000 5.04468802 1
[/CIF]
|
CoSiY2
|
Cmmm
| 65 |
orthorhombic
|
mmm
| 5,459.57672 | false |
[CIF]
data_SrSnCl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.07174164
_cell_length_b 4.07174164
_cell_length_c 7.26021739
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrSnCl2
_chemical_formula_sum 'Sr1 Sn1 Cl2'
_cell_volume 120.36772480
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cl Cl0 1 2.03587082 2.03587082 6.67014983 1
Cl Cl1 1 0.00000000 0.00000000 1.65551673 1
Sn Sn2 1 2.03587082 2.03587082 3.69791194 1
Sr Sr3 1 0.00000000 0.00000000 6.12696498 1
[/CIF]
|
Cl2SnSr
|
P4mm
| 99 |
tetragonal
|
4mm
| 3,824.623332 | false |
[CIF]
data_Nb2SiCl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.19524556
_cell_length_b 3.19524556
_cell_length_c 6.75205293
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Nb2SiCl
_chemical_formula_sum 'Nb2 Si1 Cl1'
_cell_volume 68.93572014
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cl Cl0 1 0.00000000 0.00000000 3.37602647 1
Nb Nb1 1 1.59762278 1.59762278 5.38469381 1
Nb Nb2 1 1.59762278 1.59762278 1.36735912 1
Si Si3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
|
ClNb2Si
|
P4/mmm
| 123 |
tetragonal
|
4/mmm
| 6,006.429005 | false |
[CIF]
data_Sr2FeBi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.13358646
_cell_length_b 10.13358646
_cell_length_c 10.13358646
_cell_angle_alpha 21.87659535
_cell_angle_beta 21.87659535
_cell_angle_gamma 21.87659535
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr2FeBi
_chemical_formula_sum 'Sr2 Fe1 Bi1'
_cell_volume 126.63930584
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Bi Bi0 1 -0.00000000 -0.00000000 14.83102502 1
Fe Fe1 1 0.00000000 -0.00000000 -0.00000000 1
Sr Sr2 1 -0.00000000 0.00000000 7.82572472 1
Sr Sr3 1 0.00000000 -0.00000000 21.83632532 1
[/CIF]
|
BiFeSr2
|
R-3m
| 166 |
trigonal
|
-3m
| 5,770.292125 | false |
[CIF]
data_Li6P(Se2F)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.40366194
_cell_length_b 7.40366194
_cell_length_c 7.40366194
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Li6P(Se2F)2
_chemical_formula_sum 'Li6 P1 Se4 F2'
_cell_volume 286.96223230
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Li Li0 1 7.85276934 5.57619704 7.85276934 1
Li Li1 1 7.85276934 10.12934165 7.85276934 1
Li Li2 1 7.85276934 7.85276934 5.57619704 1
Li Li3 1 7.85276934 7.85276934 10.12934165 1
Li Li4 1 5.57619704 7.85276934 7.85276934 1
Li Li5 1 10.12934165 7.85276934 7.85276934 1
F F6 1 0.00000000 0.00000000 0.00000000 1
P P7 1 5.23517956 5.23517956 5.23517956 1
Se Se8 1 6.54187949 3.92847963 6.54187949 1
Se Se9 1 3.92847963 6.54187949 6.54187949 1
Se Se10 1 3.92847963 3.92847963 3.92847963 1
Se Se11 1 6.54187949 6.54187949 3.92847963 1
F F12 1 7.85276934 7.85276934 7.85276934 1
[/CIF]
|
F8Li24P4Se16
|
F-43m
| 216 |
cubic
|
-43m
| 2,467.738652 | false |
[CIF]
data_TiNiB2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.61447360
_cell_length_b 2.61447360
_cell_length_c 5.40936488
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiNiB2
_chemical_formula_sum 'Ti1 Ni1 B2'
_cell_volume 36.97556316
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
B B0 1 1.30723680 1.30723680 1.64045341 1
B B1 1 1.30723680 1.30723680 3.76891147 1
Ni Ni2 1 0.00000000 0.00000000 2.70468244 1
Ti Ti3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
|
B2NiTi
|
P4/mmm
| 123 |
tetragonal
|
4/mmm
| 5,756.556268 | false |
[CIF]
data_Be2CrCu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.40355563
_cell_length_b 2.40355563
_cell_length_c 6.84125676
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Be2CrCu
_chemical_formula_sum 'Be2 Cr1 Cu1'
_cell_volume 39.52248532
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Be Be0 1 1.20177782 1.20177782 5.10073938 1
Be Be1 1 1.20177782 1.20177782 1.74051738 1
Cr Cr2 1 0.00000000 0.00000000 0.00000000 1
Cu Cu3 1 0.00000000 0.00000000 3.42062838 1
[/CIF]
|
Be2CrCu
|
P4/mmm
| 123 |
tetragonal
|
4/mmm
| 5,611.801223 | false |
[CIF]
data_MnTlP2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.68145674
_cell_length_b 4.68145674
_cell_length_c 4.68145674
_cell_angle_alpha 126.02725017
_cell_angle_beta 126.02725017
_cell_angle_gamma 79.84335757
_symmetry_Int_Tables_number 1
_chemical_formula_structural MnTlP2
_chemical_formula_sum 'Mn1 Tl1 P2'
_cell_volume 64.81006872
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mn Mn0 1 0.00000000 0.00000000 -0.00000000 1
P P1 1 2.12434490 0.00000000 1.79515700 1
P P2 1 0.00000000 2.12434490 1.79515701 1
Tl Tl3 1 0.00000000 -0.00000000 3.59031401 1
[/CIF]
|
MnP2Tl
|
I4/mmm
| 139 |
tetragonal
|
4/mmm
| 8,231.429443 | false |
[CIF]
data_Sc4Tc
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.43295460
_cell_length_b 5.43295460
_cell_length_c 5.43295460
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sc4Tc
_chemical_formula_sum 'Sc4 Tc1'
_cell_volume 123.44864763
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sc Sc0 1 1.56835890 1.56835890 -1.56835890 1
Sc Sc1 1 -1.56835890 1.56835890 1.56835890 1
Sc Sc2 1 1.56835890 1.56835890 1.56835890 1
Sc Sc3 1 1.56835890 -1.56835890 1.56835890 1
Tc Tc4 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
|
Sc4Tc
|
Im-3m
| 229 |
cubic
|
m-3m
| 3,749.265873 | false |
[CIF]
data_VCoPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.73677979
_cell_length_b 2.73677979
_cell_length_c 7.31484149
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural VCoPd2
_chemical_formula_sum 'V1 Co1 Pd2'
_cell_volume 54.78789664
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Co Co0 1 1.36838989 1.36838989 5.32581393 1
Pd Pd1 1 0.00000000 0.00000000 7.16668113 1
Pd Pd2 1 1.36838989 1.36838989 1.95213245 1
V V3 1 0.00000000 0.00000000 3.84247629 1
[/CIF]
|
CoPd2V
|
P4mm
| 99 |
tetragonal
|
4mm
| 9,780.99893 | false |
[CIF]
data_NbCrIn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.90603229
_cell_length_b 4.48100962
_cell_length_c 5.74945508
_cell_angle_alpha 90.00000000
_cell_angle_beta 103.09450635
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NbCrIn2
_chemical_formula_sum 'Nb1 Cr1 In2'
_cell_volume 72.92239537
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cr Cr0 1 0.00000000 0.00000000 0.00000000 1
In In1 1 0.99184987 2.24050481 1.35048527 1
In In2 1 0.61159784 2.24050481 4.24947071 1
Nb Nb3 1 -0.65129229 0.00000000 2.79997799 1
[/CIF]
|
CrIn2Nb
|
P2/m
| 10 |
monoclinic
|
2/m
| 8,528.734894 | false |
[CIF]
data_CaVSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.98983702
_cell_length_b 5.98983702
_cell_length_c 5.98983702
_cell_angle_alpha 147.63108903
_cell_angle_beta 147.63108903
_cell_angle_gamma 46.43025192
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaVSe
_chemical_formula_sum 'Ca1 V1 Se1'
_cell_volume 61.37683733
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ca Ca0 1 -0.00000000 0.00000000 0.03788392 1
Se Se1 1 0.00000000 -0.00000000 3.21930047 1
V V2 1 0.00000000 -0.00000000 7.75251111 1
[/CIF]
|
CaSeV
|
I4mm
| 107 |
tetragonal
|
4mm
| 4,598.764169 | false |
[CIF]
data_Hg2S
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.31482686
_cell_length_b 6.31482686
_cell_length_c 8.92927440
_cell_angle_alpha 106.07861441
_cell_angle_beta 106.07861441
_cell_angle_gamma 25.18827384
_symmetry_Int_Tables_number 1
_chemical_formula_structural Hg2S
_chemical_formula_sum 'Hg4 S2'
_cell_volume 145.31238648
_cell_formula_units_Z 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hg Hg0 1 2.17104179 -0.00000000 8.20545817 1
Hg Hg1 1 0.18808470 -0.00000000 3.26583937 1
Hg Hg2 1 9.60370155 0.00000000 5.29633642 1
Hg Hg3 1 7.62074447 -0.00000000 0.35671762 1
S S4 1 6.42109167 -0.00000000 5.94391800 1
S S5 1 3.37069458 -0.00000000 2.61825779 1
[/CIF]
|
Hg4S2
|
C2/m
| 12 |
monoclinic
|
2/m
| 9,901.705771 | false |
[CIF]
data_LiMgAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.11057113
_cell_length_b 5.11057113
_cell_length_c 5.11057113
_cell_angle_alpha 134.08156981
_cell_angle_beta 134.08156981
_cell_angle_gamma 66.96063143
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiMgAu2
_chemical_formula_sum 'Li1 Mg1 Au2'
_cell_volume 67.75971909
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Au Au0 1 0.00000000 -0.00000000 4.26260163 1
Au Au1 1 0.00000000 1.99351005 2.13130082 1
Li Li2 1 0.00000000 0.00000000 0.00000000 1
Mg Mg3 1 1.99351005 -0.00000000 2.13130082 1
[/CIF]
|
Au2LiMg
|
I-4m2
| 119 |
tetragonal
|
-42m
| 10,419.561628 | false |
[CIF]
data_Mg3TaP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.83035242
_cell_length_b 4.83035242
_cell_length_c 4.83035242
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg3TaP
_chemical_formula_sum 'Mg3 Ta1 P1'
_cell_volume 112.70325351
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
P P0 1 0.00000000 0.00000000 0.00000000 1
Mg Mg1 1 0.00000000 2.41517621 0.00000000 1
Mg Mg2 1 0.00000000 0.00000000 2.41517621 1
Mg Mg3 1 2.41517621 0.00000000 0.00000000 1
Ta Ta4 1 2.41517621 2.41517621 2.41517621 1
[/CIF]
|
Mg3PTa
|
Pm-3m
| 221 |
cubic
|
m-3m
| 4,196.705569 | false |
[CIF]
data_P
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.64145243
_cell_length_b 2.64145243
_cell_length_c 2.64145243
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structural P
_chemical_formula_sum P1
_cell_volume 14.18752009
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
P P0 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
|
P
|
Im-3m
| 229 |
cubic
|
m-3m
| 3,625.238344 | false |
[CIF]
data_CrSnBr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.78701113
_cell_length_b 4.78701113
_cell_length_c 4.78701113
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CrSnBr
_chemical_formula_sum 'Cr1 Sn1 Br1'
_cell_volume 77.56723546
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Br Br0 1 3.38492803 3.38492803 3.38492803 1
Cr Cr1 1 0.00000000 -0.00000000 0.00000000 1
Sn Sn2 1 1.69246402 1.69246402 1.69246402 1
[/CIF]
|
BrCrSn
|
F-43m
| 216 |
cubic
|
-43m
| 5,364.995401 | false |
[CIF]
data_ReBi2Sb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.39479709
_cell_length_b 3.51986399
_cell_length_c 8.04553060
_cell_angle_alpha 90.00000000
_cell_angle_beta 93.54113276
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ReBi2Sb
_chemical_formula_sum 'Re1 Bi2 Sb1'
_cell_volume 95.95429299
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Bi Bi0 1 1.54992529 1.75993200 2.34467552 1
Bi Bi1 1 1.34793890 1.75993200 5.68549387 1
Re Re2 1 -0.24846645 0.00000000 4.01508469 1
Sb Sb3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
|
Bi2ReSb
|
P2/m
| 10 |
monoclinic
|
2/m
| 12,562.559046 | false |
[CIF]
data_HfMgGaPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.63898742
_cell_length_b 4.63898742
_cell_length_c 4.63898742
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfMgGaPt
_chemical_formula_sum 'Hf1 Mg1 Ga1 Pt1'
_cell_volume 70.59185357
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ga Ga0 1 1.64012973 1.64012973 1.64012973 1
Hf Hf1 1 3.28025946 3.28025946 3.28025946 1
Mg Mg2 1 0.00000000 0.00000000 0.00000000 1
Pt Pt3 1 4.92038919 4.92038919 4.92038919 1
[/CIF]
|
GaHfMgPt
|
F-43m
| 216 |
cubic
|
-43m
| 10,999.447519 | false |
[CIF]
data_InSnPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.67285856
_cell_length_b 4.67285856
_cell_length_c 3.38923542
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural InSnPd2
_chemical_formula_sum 'In1 Sn1 Pd2'
_cell_volume 74.00601307
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
In In0 1 0.00000000 0.00000000 0.00000000 1
Pd Pd1 1 0.00000000 2.33642928 1.69461771 1
Pd Pd2 1 2.33642928 0.00000000 1.69461771 1
Sn Sn3 1 2.33642928 2.33642928 0.00000000 1
[/CIF]
|
InPd2Sn
|
P4/mmm
| 123 |
tetragonal
|
4/mmm
| 10,015.557808 | false |
[CIF]
data_LaHf
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.80895546
_cell_length_b 5.80895546
_cell_length_c 5.80895546
_cell_angle_alpha 34.13437073
_cell_angle_beta 34.13437073
_cell_angle_gamma 34.13437073
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaHf
_chemical_formula_sum 'La1 Hf1'
_cell_volume 55.02855769
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hf Hf0 1 0.00000000 -0.00000000 8.19780450 1
La La1 1 -0.00000000 0.00000000 -0.00000000 1
[/CIF]
|
HfLa
|
R-3m
| 166 |
trigonal
|
-3m
| 9,577.710109 | false |
[CIF]
data_NiPRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.82987436
_cell_length_b 2.82987436
_cell_length_c 6.25924212
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NiPRu2
_chemical_formula_sum 'Ni1 P1 Ru2'
_cell_volume 50.12519323
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ni Ni0 1 1.41493718 1.41493718 3.39748213 1
P P1 1 0.00000000 0.00000000 4.56555511 1
Ru Ru2 1 1.41493718 1.41493718 6.06293701 1
Ru Ru3 1 0.00000000 0.00000000 1.62213110 1
[/CIF]
|
NiPRu2
|
P4mm
| 99 |
tetragonal
|
4mm
| 9,666.939142 | false |
[CIF]
data_CdBiOs2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.66823085
_cell_length_b 4.66823085
_cell_length_c 4.66823085
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CdBiOs2
_chemical_formula_sum 'Cd1 Bi1 Os2'
_cell_volume 71.93528608
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Bi Bi0 1 3.30093769 3.30093769 3.30093769 1
Cd Cd1 1 0.00000000 0.00000000 0.00000000 1
Os Os2 1 4.95140654 4.95140654 4.95140654 1
Os Os3 1 1.65046885 1.65046885 1.65046885 1
[/CIF]
|
BiCdOs2
|
Fm-3m
| 225 |
cubic
|
m-3m
| 16,201.390614 | false |
[CIF]
data_GePt4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.66242631
_cell_length_b 7.66242631
_cell_length_c 7.66242631
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structural GePt4
_chemical_formula_sum 'Ge4 Pt16'
_cell_volume 346.31957607
_cell_formula_units_Z 4
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ge Ge0 1 1.33154380 1.33154380 1.33154380 1
Ge Ge1 1 -3.09236009 3.09236009 3.09236009 1
Ge Ge2 1 3.09236009 -3.09236009 3.09236009 1
Ge Ge3 1 3.09236009 3.09236009 -3.09236009 1
Pt Pt4 1 2.70450087 2.70450087 2.70450087 1
Pt Pt5 1 -1.71940302 1.71940302 1.71940302 1
Pt Pt6 1 1.71940302 -1.71940302 1.71940302 1
Pt Pt7 1 1.71940302 1.71940302 -1.71940302 1
Pt Pt8 1 -0.00000000 0.00000000 6.00149164 1
Pt Pt9 1 0.00000000 0.00000000 2.84631614 1
Pt Pt10 1 0.00000000 6.00149164 0.00000000 1
Pt Pt11 1 0.00000000 2.84631614 0.00000000 1
Pt Pt12 1 6.00149164 -0.00000000 0.00000000 1
Pt Pt13 1 2.84631614 -0.00000000 0.00000000 1
Pt Pt14 1 4.42390389 -0.00000000 2.21195194 1
Pt Pt15 1 0.00000000 4.42390389 2.21195195 1
Pt Pt16 1 0.00000000 2.21195195 4.42390389 1
Pt Pt17 1 4.42390389 2.21195194 -0.00000000 1
Pt Pt18 1 2.21195195 4.42390389 -0.00000000 1
Pt Pt19 1 2.21195195 -0.00000000 4.42390389 1
[/CIF]
|
Ge4Pt16
|
I-43m
| 217 |
cubic
|
-43m
| 16,359.456049 | false |
[CIF]
data_Fe2BiCl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.38611084
_cell_length_b 3.66831899
_cell_length_c 6.74787727
_cell_angle_alpha 90.00000000
_cell_angle_beta 94.10500433
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Fe2BiCl
_chemical_formula_sum 'Fe2 Bi1 Cl1'
_cell_volume 83.60261077
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Bi Bi0 1 2.00711483 1.83415949 2.87252392 1
Cl Cl1 1 -0.06313020 0.00000000 5.75010566 1
Fe Fe2 1 0.35667420 1.83415949 0.68451874 1
Fe Fe3 1 2.05394166 0.00000000 0.78870042 1
[/CIF]
|
BiClFe2
|
Pm
| 6 |
monoclinic
|
m
| 7,073.425253 | false |
[CIF]
data_LiCaNb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.91956180
_cell_length_b 4.62665028
_cell_length_c 6.35243426
_cell_angle_alpha 90.00000000
_cell_angle_beta 96.74801207
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiCaNb2
_chemical_formula_sum 'Li1 Ca1 Nb2'
_cell_volume 85.21292944
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ca Ca0 1 1.20917278 2.31332514 3.24841907 1
Li Li1 1 0.02248052 0.00000000 4.84192306 1
Nb Nb2 1 0.09449918 2.31332514 0.26745848 1
Nb Nb3 1 1.93354565 0.00000000 1.10484130 1
[/CIF]
|
CaLiNb2
|
Pm
| 6 |
monoclinic
|
m
| 4,537.178054 | false |
[CIF]
data_BePb2Se
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.05715332
_cell_length_b 8.05715332
_cell_length_c 8.05715332
_cell_angle_alpha 155.43526849
_cell_angle_beta 154.62418289
_cell_angle_gamma 35.60908649
_symmetry_Int_Tables_number 1
_chemical_formula_structural BePb2Se
_chemical_formula_sum 'Be1 Pb2 Se1'
_cell_volume 93.07433203
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Be Be0 1 0.00000000 0.00000000 0.00000000 1
Pb Pb1 1 1.71399553 -0.00000000 2.65010575 1
Pb Pb2 1 0.00000000 1.76967579 5.02115142 1
Se Se3 1 -0.00000000 0.00000000 7.67125717 1
[/CIF]
|
BePb2Se
|
Immm
| 71 |
orthorhombic
|
mmm
| 8,962.821607 | false |
[CIF]
data_Nd2BiAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.38960616
_cell_length_b 5.38960616
_cell_length_c 5.38960616
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Nd2BiAu
_chemical_formula_sum 'Nd2 Bi1 Au1'
_cell_volume 110.70215964
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Au Au0 1 0.00000000 0.00000000 0.00000000 1
Bi Bi1 1 3.81102706 3.81102706 3.81102706 1
Nd Nd2 1 5.71654059 5.71654059 5.71654059 1
Nd Nd3 1 1.90551353 1.90551353 1.90551353 1
[/CIF]
|
AuBiNd2
|
Fm-3m
| 225 |
cubic
|
m-3m
| 10,416.506388 | false |
[CIF]
data_Cd2CoAs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.26106233
_cell_length_b 5.26106233
_cell_length_c 5.26106233
_cell_angle_alpha 135.21330547
_cell_angle_beta 135.21330547
_cell_angle_gamma 65.19895108
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cd2CoAs
_chemical_formula_sum 'Cd2 Co1 As1'
_cell_volume 71.21867580
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
As As0 1 0.00000000 0.00000000 4.43222052 1
Cd Cd1 1 -0.00000000 2.00427021 2.21611026 1
Cd Cd2 1 2.00427021 -0.00000000 2.21611026 1
Co Co3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
|
AsCd2Co
|
I4/mmm
| 139 |
tetragonal
|
4/mmm
| 8,362.930421 | false |
[CIF]
data_Ba2TmMoO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.97357303
_cell_length_b 5.97357303
_cell_length_c 5.97357303
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ba2TmMoO6
_chemical_formula_sum 'Ba2 Tm1 Mo1 O6'
_cell_volume 150.72577846
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ba Ba0 1 2.11197700 2.11197700 2.11197700 1
Ba Ba1 1 6.33593100 6.33593100 6.33593100 1
Tm Tm2 1 4.22395400 4.22395400 4.22395400 1
Mo Mo3 1 0.00000000 0.00000000 0.00000000 1
O O4 1 2.00995162 4.22395400 4.22395400 1
O O5 1 6.43795638 4.22395400 4.22395400 1
O O6 1 4.22395400 2.00995162 4.22395400 1
O O7 1 4.22395400 6.43795638 4.22395400 1
O O8 1 4.22395400 4.22395400 2.00995162 1
O O9 1 4.22395400 4.22395400 6.43795638 1
[/CIF]
|
Ba2MoO6Tm
|
Fm-3m
| 225 |
cubic
|
m-3m
| 7,001.766149 | false |
[CIF]
data_KBaHfMo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.33765724
_cell_length_b 5.33765724
_cell_length_c 5.33765724
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KBaHfMo
_chemical_formula_sum 'K1 Ba1 Hf1 Mo1'
_cell_volume 107.53183277
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ba Ba0 1 5.66144045 5.66144045 5.66144045 1
Hf Hf1 1 1.88714682 1.88714682 1.88714681 1
K K2 1 0.00000000 -0.00000000 0.00000000 1
Mo Mo3 1 3.77429363 3.77429363 3.77429363 1
[/CIF]
|
BaHfKMo
|
F-43m
| 216 |
cubic
|
-43m
| 6,962.552674 | false |
[CIF]
data_MgB2P
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.68842600
_cell_length_b 3.78807992
_cell_length_c 3.98520516
_cell_angle_alpha 90.00000000
_cell_angle_beta 102.31268197
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgB2P
_chemical_formula_sum 'Mg1 B2 P1'
_cell_volume 39.65169478
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
B B0 1 2.62914712 0.00000000 0.02973554 1
B B1 1 2.07620825 1.89403996 0.84994739 1
Mg Mg2 1 1.02035636 0.00000000 1.82227766 1
P P3 1 -0.27939413 1.89403996 3.13834798 1
[/CIF]
|
B2MgP
|
Pm
| 6 |
monoclinic
|
m
| 3,220.460569 | false |
[CIF]
data_Ca2VTc
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.78088862
_cell_length_b 5.78088862
_cell_length_c 5.78088862
_cell_angle_alpha 141.92395328
_cell_angle_beta 137.69295141
_cell_angle_gamma 58.21446535
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ca2VTc
_chemical_formula_sum 'Ca2 V1 Tc1'
_cell_volume 79.47639568
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ca Ca0 1 -0.00000000 2.08613883 2.44312202 1
Ca Ca1 1 1.88570020 0.00000000 2.60770294 1
Tc Tc2 1 -0.00000000 0.00000000 5.05082496 1
V V3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
|
Ca2TcV
|
Immm
| 71 |
orthorhombic
|
mmm
| 4,805.579393 | false |
[CIF]
data_La2AgMo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.63522754
_cell_length_b 4.63522754
_cell_length_c 7.55399935
_cell_angle_alpha 97.17565522
_cell_angle_beta 97.17565522
_cell_angle_gamma 41.87834109
_symmetry_Int_Tables_number 1
_chemical_formula_structural La2AgMo
_chemical_formula_sum 'La2 Ag1 Mo1'
_cell_volume 107.37031516
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ag Ag0 1 3.82396746 0.00000000 3.74306674 1
La La1 1 6.21964854 -0.00000000 1.68244674 1
La La2 1 1.42828638 0.00000000 5.80368675 1
Mo Mo3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
|
AgLa2Mo
|
C2/m
| 12 |
monoclinic
|
2/m
| 7,448.805629 | false |
[CIF]
data_BeNbCdPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.46820629
_cell_length_b 4.46820629
_cell_length_c 4.46820629
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BeNbCdPd
_chemical_formula_sum 'Be1 Nb1 Cd1 Pd1'
_cell_volume 63.07897825
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Be Be0 1 0.00000000 0.00000000 0.00000000 1
Cd Cd1 1 3.15949897 3.15949897 3.15949897 1
Nb Nb2 1 1.57974948 1.57974949 1.57974949 1
Pd Pd3 1 4.73924846 4.73924846 4.73924846 1
[/CIF]
|
BeCdNbPd
|
F-43m
| 216 |
cubic
|
-43m
| 8,443.655764 | false |
[CIF]
data_YbHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.70166799
_cell_length_b 4.70166799
_cell_length_c 4.70166799
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YbHg
_chemical_formula_sum 'Yb1 Hg1'
_cell_volume 73.49213713
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hg Hg0 1 1.66229066 1.66229066 1.66229066 1
Yb Yb1 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
|
HgYb
|
F-43m
| 216 |
cubic
|
-43m
| 8,442.405993 | false |
[CIF]
data_Sc2NiPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.59950940
_cell_length_b 4.59950940
_cell_length_c 4.59950940
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sc2NiPd
_chemical_formula_sum 'Sc2 Ni1 Pd1'
_cell_volume 68.80492615
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ni Ni0 1 0.00000000 0.00000000 0.00000000 1
Pd Pd1 1 3.25234428 3.25234428 3.25234428 1
Sc Sc2 1 1.62617214 1.62617214 1.62617214 1
Sc Sc3 1 4.87851643 4.87851643 4.87851643 1
[/CIF]
|
NiPdSc2
|
Fm-3m
| 225 |
cubic
|
m-3m
| 6,154.788712 | false |
[CIF]
data_PaTe2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.29214934
_cell_length_b 5.29214934
_cell_length_c 5.29214934
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural PaTe2Au
_chemical_formula_sum 'Pa1 Te2 Au1'
_cell_volume 104.80482483
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pa Pa0 1 3.74211469 3.74211469 3.74211469 1
Te Te1 1 5.61317203 5.61317203 5.61317203 1
Te Te2 1 1.87105734 1.87105734 1.87105734 1
Au Au3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
|
AuPaTe2
|
Fm-3m
| 225 |
cubic
|
m-3m
| 10,824.741912 | false |
[CIF]
data_KNiPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.63532993
_cell_length_b 4.63532993
_cell_length_c 4.63532993
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KNiPt2
_chemical_formula_sum 'K1 Ni1 Pt2'
_cell_volume 70.42501659
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
K K0 1 -0.00000000 -0.00000000 0.00000000 1
Ni Ni1 1 4.91650985 4.91650985 4.91650985 1
Pt Pt2 1 3.27767323 3.27767323 3.27767323 1
Pt Pt3 1 1.63883662 1.63883662 1.63883662 1
[/CIF]
|
KNiPt2
|
F-43m
| 216 |
cubic
|
-43m
| 11,505.515853 | false |
[CIF]
data_LiAlNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.71967872
_cell_length_b 2.71967872
_cell_length_c 6.38459931
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiAlNi
_chemical_formula_sum 'Li1 Al1 Ni1'
_cell_volume 40.89775644
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al Al0 1 -0.00000001 1.57020725 6.20872505 1
Li Li1 1 0.00000000 0.00000000 2.23566162 1
Ni Ni2 1 1.35983935 0.78510363 4.32481188 1
[/CIF]
|
AlLiNi
|
P3m1
| 156 |
trigonal
|
3m
| 3,760.411269 | false |
[CIF]
data_VAgPb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.12093245
_cell_length_b 5.12093245
_cell_length_c 3.46302592
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural VAgPb2
_chemical_formula_sum 'V1 Ag1 Pb2'
_cell_volume 90.81421566
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ag Ag0 1 2.56046622 2.56046622 0.00000000 1
Pb Pb1 1 2.56046622 0.00000000 1.73151296 1
Pb Pb2 1 0.00000000 2.56046622 1.73151296 1
V V3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
|
AgPb2V
|
P4/mmm
| 123 |
tetragonal
|
4/mmm
| 10,481.146518 | false |
[CIF]
data_KAlZn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.37352612
_cell_length_b 5.37352612
_cell_length_c 5.37352612
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KAlZn
_chemical_formula_sum 'K1 Al1 Zn1'
_cell_volume 109.71426437
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al Al0 1 0.00000000 0.00000000 0.00000000 1
K K1 1 5.69948514 5.69948514 5.69948514 1
Zn Zn2 1 3.79965676 3.79965676 3.79965676 1
[/CIF]
|
AlKZn
|
F-43m
| 216 |
cubic
|
-43m
| 1,989.661043 | false |
[CIF]
data_CaFeCuTc
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.44582016
_cell_length_b 4.44582016
_cell_length_c 4.44582016
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaFeCuTc
_chemical_formula_sum 'Ca1 Fe1 Cu1 Tc1'
_cell_volume 62.13562534
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ca Ca0 1 0.00000000 0.00000000 0.00000000 1
Cu Cu1 1 3.14366958 3.14366958 3.14366958 1
Fe Fe2 1 1.57183479 1.57183479 1.57183479 1
Tc Tc3 1 4.71550437 4.71550437 4.71550437 1
[/CIF]
|
CaCuFeTc
|
F-43m
| 216 |
cubic
|
-43m
| 6,904.929516 | false |
[CIF]
data_CaGaB2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.16985242
_cell_length_b 3.16985242
_cell_length_c 5.74547261
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaGaB2
_chemical_formula_sum 'Ca1 Ga1 B2'
_cell_volume 57.73030386
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
B B0 1 1.58492621 1.58492621 3.71524402 1
B B1 1 1.58492621 1.58492621 2.03022859 1
Ca Ca2 1 0.00000000 0.00000000 0.00000000 1
Ga Ga3 1 0.00000000 0.00000000 2.87273631 1
[/CIF]
|
B2CaGa
|
P4/mmm
| 123 |
tetragonal
|
4/mmm
| 3,780.217656 | false |
[CIF]
data_NiRhAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.77352661
_cell_length_b 2.77352661
_cell_length_c 6.60099664
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NiRhAu
_chemical_formula_sum 'Ni1 Rh1 Au1'
_cell_volume 43.97489548
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Au Au0 1 1.38676332 0.80064816 0.07893584 1
Ni Ni1 1 0.00000000 0.00000000 2.26880116 1
Rh Rh2 1 0.00000001 1.60129632 4.25325971 1
[/CIF]
|
AuNiRh
|
P3m1
| 156 |
trigonal
|
3m
| 13,539.815466 | false |
[CIF]
data_ZrGa2Si
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.60522349
_cell_length_b 3.60522349
_cell_length_c 5.52476216
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZrGa2Si
_chemical_formula_sum 'Zr1 Ga2 Si1'
_cell_volume 71.80884982
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ga Ga0 1 0.00000000 0.00000000 0.06153038 1
Ga Ga1 1 1.80261175 1.80261175 1.32451775 1
Si Si2 1 0.00000000 0.00000000 2.86348727 1
Zr Zr3 1 1.80261175 1.80261175 4.03760784 1
[/CIF]
|
Ga2SiZr
|
P4mm
| 99 |
tetragonal
|
4mm
| 5,983.574692 | false |
[CIF]
data_ZrMo2W
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.59137516
_cell_length_b 4.59137516
_cell_length_c 4.59137516
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZrMo2W
_chemical_formula_sum 'Zr1 Mo2 W1'
_cell_volume 68.44052659
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mo Mo0 1 1.62329625 1.62329625 1.62329625 1
Mo Mo1 1 4.86988876 4.86988876 4.86988876 1
W W2 1 3.24659251 3.24659251 3.24659251 1
Zr Zr3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
|
Mo2WZr
|
Fm-3m
| 225 |
cubic
|
m-3m
| 11,330.250223 | false |
[CIF]
data_K4TiHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.98436054
_cell_length_b 7.98436054
_cell_length_c 7.98436054
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural K4TiHg
_chemical_formula_sum 'K4 Ti1 Hg1'
_cell_volume 359.91953640
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hg Hg0 1 2.82289774 2.82289774 2.82289774 1
K K1 1 4.23373781 4.23373781 7.05785315 1
K K2 1 4.23373781 7.05785315 4.23373781 1
K K3 1 7.05785315 4.23373781 4.23373781 1
K K4 1 7.05785315 7.05785315 7.05785315 1
Ti Ti5 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
|
HgK4Ti
|
F-43m
| 216 |
cubic
|
-43m
| 1,867.832961 | false |
[CIF]
data_NaBeSn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.37312919
_cell_length_b 3.37312919
_cell_length_c 7.91859304
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaBeSn2
_chemical_formula_sum 'Na1 Be1 Sn2'
_cell_volume 90.09775583
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Be Be0 1 0.00000000 0.00000000 0.00000000 1
Na Na1 1 0.00000000 0.00000000 3.95929652 1
Sn Sn2 1 1.68656460 1.68656460 6.38822183 1
Sn Sn3 1 1.68656460 1.68656460 1.53037121 1
[/CIF]
|
BeNaSn2
|
P4/mmm
| 123 |
tetragonal
|
4/mmm
| 4,965.666002 | false |
[CIF]
data_KNi4As
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.01382433
_cell_length_b 5.01382433
_cell_length_c 5.01382433
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KNi4As
_chemical_formula_sum 'K1 Ni4 As1'
_cell_volume 89.12352212
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
As As0 1 5.31796377 5.31796377 5.31796377 1
K K1 1 0.00000000 0.00000000 0.00000000 1
Ni Ni2 1 4.42952378 4.42952378 2.66109458 1
Ni Ni3 1 4.42952378 2.66109458 4.42952378 1
Ni Ni4 1 2.66109458 4.42952378 4.42952378 1
Ni Ni5 1 2.66109458 2.66109458 2.66109458 1
[/CIF]
|
AsKNi4
|
F-43m
| 216 |
cubic
|
-43m
| 6,498.6798 | false |
[CIF]
data_CdBiAs2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.10785684
_cell_length_b 5.10785684
_cell_length_c 5.10785684
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CdBiAs2
_chemical_formula_sum 'Cd1 Bi1 As2'
_cell_volume 94.23259531
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
As As0 1 5.41770032 5.41770032 5.41770032 1
As As1 1 0.00000000 0.00000000 0.00000000 1
Bi Bi2 1 1.80590011 1.80590010 1.80590010 1
Cd Cd3 1 3.61180021 3.61180021 3.61180021 1
[/CIF]
|
As2BiCd
|
F-43m
| 216 |
cubic
|
-43m
| 8,303.957461 | false |
[CIF]
data_GaFe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.28818900
_cell_length_b 2.64456500
_cell_length_c 4.49946600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural GaFe
_chemical_formula_sum 'Ga2 Fe2'
_cell_volume 51.02571967
_cell_formula_units_Z 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Fe Fe0 1 3.21614175 0.00000000 0.76762285 1
Fe Fe1 1 1.07204725 0.00000000 3.73184315 1
Ga Ga2 1 1.07204725 1.32228250 1.40475290 1
Ga Ga3 1 3.21614175 1.32228250 3.09471310 1
[/CIF]
|
Fe2Ga2
|
Pmma
| 51 |
orthorhombic
|
mmm
| 8,172.763495 | false |
[CIF]
data_Li2YCl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.40888082
_cell_length_b 3.40888082
_cell_length_c 8.82160583
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 114.67026913
_symmetry_Int_Tables_number 1
_chemical_formula_structural Li2YCl
_chemical_formula_sum 'Li2 Y1 Cl1'
_cell_volume 93.15447162
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cl Cl0 1 0.00000000 0.00000000 0.00000000 1
Li Li1 1 1.83985545 0.00000000 1.56036511 1
Li Li2 1 1.83985545 0.00000000 7.26124072 1
Y Y3 1 0.00000000 0.00000000 4.41080291 1
[/CIF]
|
ClLi2Y
|
Cmmm
| 65 |
orthorhombic
|
mmm
| 2,464.233096 | false |
[CIF]
data_SrTl2Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.12343249
_cell_length_b 5.12343249
_cell_length_c 4.77907198
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrTl2Pb
_chemical_formula_sum 'Sr1 Tl2 Pb1'
_cell_volume 125.44853881
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pb Pb0 1 2.56171624 2.56171624 0.00000000 1
Sr Sr1 1 0.00000000 0.00000000 0.00000000 1
Tl Tl2 1 0.00000000 2.56171624 2.38953599 1
Tl Tl3 1 2.56171624 0.00000000 2.38953599 1
[/CIF]
|
PbSrTl2
|
P4/mmm
| 123 |
tetragonal
|
4/mmm
| 9,313.252148 | false |
[CIF]
data_SnGeIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.40069666
_cell_length_b 4.40069666
_cell_length_c 4.40069666
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SnGeIr
_chemical_formula_sum 'Sn1 Ge1 Ir1'
_cell_volume 60.26279953
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ge Ge0 1 0.00000000 0.00000000 0.00000000 1
Ir Ir1 1 1.55588122 1.55588122 1.55588122 1
Sn Sn2 1 3.11176245 3.11176245 3.11176245 1
[/CIF]
|
GeIrSn
|
F-43m
| 216 |
cubic
|
-43m
| 10,569.173572 | false |
[CIF]
data_Tc2Pd3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.50268352
_cell_length_b 11.50268352
_cell_length_c 11.50268352
_cell_angle_alpha 13.73096019
_cell_angle_beta 13.73096019
_cell_angle_gamma 13.73096019
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tc2Pd3
_chemical_formula_sum 'Tc2 Pd3'
_cell_volume 74.61531891
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pd Pd0 1 0.00000000 0.00000000 0.00000000 1
Pd Pd1 1 -0.00000000 0.00000000 6.88057571 1
Pd Pd2 1 0.00000000 0.00000000 27.29715874 1
Tc Tc3 1 -0.00000000 -0.00000000 13.68472967 1
Tc Tc4 1 -0.00000000 -0.00000000 20.49300478 1
[/CIF]
|
Pd3Tc2
|
R-3m
| 166 |
trigonal
|
-3m
| 11,507.274054 | false |
[CIF]
data_EuSi3Ir
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.81849379
_cell_length_b 5.81849379
_cell_length_c 5.81849379
_cell_angle_alpha 137.09976931
_cell_angle_beta 137.09976931
_cell_angle_gamma 62.28457992
_symmetry_Int_Tables_number 1
_chemical_formula_structural EuSi3Ir
_chemical_formula_sum 'Eu1 Si3 Ir1'
_cell_volume 90.18535592
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Eu Eu0 1 0.00000000 -0.00000000 0.00855907 1
Si Si1 1 -0.00000000 0.00000000 4.13138184 1
Si Si2 1 2.12777092 0.00000000 2.62928061 1
Si Si3 1 -0.00000000 2.12777092 2.62928061 1
Ir Ir4 1 0.00000000 -0.00000000 6.51746590 1
[/CIF]
|
EuIrSi3
|
I4mm
| 107 |
tetragonal
|
4mm
| 7,888.611173 | false |
[CIF]
data_YOs2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.05498125
_cell_length_b 4.90816552
_cell_length_c 4.73485649
_cell_angle_alpha 90.00000000
_cell_angle_beta 95.35312451
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YOs2Pd
_chemical_formula_sum 'Y1 Os2 Pd1'
_cell_volume 70.68647201
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Os Os0 1 0.71265987 2.45408276 3.51623226 1
Os Os1 1 1.90058871 2.45408276 1.19797375 1
Pd Pd2 1 1.30662429 0.00000000 2.35710300 1
Y Y3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
|
Os2PdY
|
P2/m
| 10 |
monoclinic
|
2/m
| 13,526.136908 | false |
[CIF]
data_Ti2PtCl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.51307665
_cell_length_b 4.51307665
_cell_length_c 4.51307665
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti2PtCl
_chemical_formula_sum 'Ti2 Pt1 Cl1'
_cell_volume 64.99846936
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cl Cl0 1 0.00000000 0.00000000 0.00000000 1
Pt Pt1 1 3.19122710 3.19122710 3.19122710 1
Ti Ti2 1 1.59561355 1.59561355 1.59561355 1
Ti Ti3 1 4.78684065 4.78684065 4.78684065 1
[/CIF]
|
ClPtTi2
|
Fm-3m
| 225 |
cubic
|
m-3m
| 8,335.3617 | false |
[CIF]
data_Ba3AgHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.43998731
_cell_length_b 6.43998731
_cell_length_c 6.43998731
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ba3AgHg
_chemical_formula_sum 'Ba3 Ag1 Hg1'
_cell_volume 267.08840510
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hg Hg0 1 3.21999366 3.21999366 3.21999366 1
Ag Ag1 1 0.00000000 0.00000000 0.00000000 1
Ba Ba2 1 0.00000000 3.21999366 0.00000000 1
Ba Ba3 1 0.00000000 0.00000000 3.21999366 1
Ba Ba4 1 3.21999366 0.00000000 0.00000000 1
[/CIF]
|
AgBa3Hg
|
Pm-3m
| 221 |
cubic
|
m-3m
| 4,479.106595 | false |
[CIF]
data_BeAsAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.03985804
_cell_length_b 5.03985804
_cell_length_c 5.03985804
_cell_angle_alpha 133.72605136
_cell_angle_beta 133.72605136
_cell_angle_gamma 67.51620475
_symmetry_Int_Tables_number 1
_chemical_formula_structural BeAsAu2
_chemical_formula_sum 'Be1 As1 Au2'
_cell_volume 65.72823676
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
As As0 1 1.98031453 0.00000000 2.09504641 1
Au Au1 1 0.00000000 -0.00000000 4.19009281 1
Au Au2 1 0.00000000 1.98031453 2.09504641 1
Be Be3 1 0.00000000 -0.00000000 0.00000000 1
[/CIF]
|
AsAu2Be
|
I-4m2
| 119 |
tetragonal
|
-42m
| 12,072.690953 | false |
[CIF]
data_CrFeOsRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.19879249
_cell_length_b 4.19879249
_cell_length_c 4.19879249
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CrFeOsRu
_chemical_formula_sum 'Cr1 Fe1 Os1 Ru1'
_cell_volume 52.34295493
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cr Cr0 1 0.00000000 0.00000000 0.00000000 1
Fe Fe1 1 2.96899464 2.96899464 2.96899464 1
Os Os2 1 1.48449732 1.48449732 1.48449732 1
Ru Ru3 1 4.45349196 4.45349196 4.45349196 1
[/CIF]
|
CrFeOsRu
|
F-43m
| 216 |
cubic
|
-43m
| 12,662.437391 | false |
[CIF]
data_YTcSb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.96372539
_cell_length_b 4.96372539
_cell_length_c 4.96372539
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YTcSb2
_chemical_formula_sum 'Y1 Tc1 Sb2'
_cell_volume 86.47851862
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sb Sb0 1 5.26482582 5.26482582 5.26482582 1
Sb Sb1 1 1.75494194 1.75494194 1.75494194 1
Tc Tc2 1 3.50988388 3.50988388 3.50988388 1
Y Y3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
|
Sb2TcY
|
Fm-3m
| 225 |
cubic
|
m-3m
| 8,282.331047 | false |
[CIF]
data_ReTc2Os
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.37967801
_cell_length_b 4.37967801
_cell_length_c 4.37967801
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ReTc2Os
_chemical_formula_sum 'Re1 Tc2 Os1'
_cell_volume 59.40343384
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Os Os0 1 4.64535003 4.64535003 4.64535003 1
Re Re1 1 3.09690002 3.09690002 3.09690002 1
Tc Tc2 1 1.54845001 1.54845001 1.54845001 1
Tc Tc3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
|
OsReTc2
|
F-43m
| 216 |
cubic
|
-43m
| 16,052.330666 | false |
[CIF]
data_SrHfBeCr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76284820
_cell_length_b 4.76284820
_cell_length_c 4.76284820
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrHfBeCr
_chemical_formula_sum 'Sr1 Hf1 Be1 Cr1'
_cell_volume 76.39856870
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Be Be0 1 0.00000000 0.00000000 0.00000000 1
Cr Cr1 1 3.36784226 3.36784226 3.36784226 1
Hf Hf2 1 1.68392113 1.68392113 1.68392113 1
Sr Sr3 1 5.05176339 5.05176339 5.05176339 1
[/CIF]
|
BeCrHfSr
|
F-43m
| 216 |
cubic
|
-43m
| 7,109.98512 | false |
[CIF]
data_RuPbBr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.01140889
_cell_length_b 3.90124864
_cell_length_c 7.42221537
_cell_angle_alpha 90.00000000
_cell_angle_beta 102.94783208
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural RuPbBr2
_chemical_formula_sum 'Ru1 Pb1 Br2'
_cell_volume 113.20070971
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Br Br0 1 3.33295015 1.95062432 0.52273652 1
Br Br1 1 -0.55054526 0.00000000 4.94162027 1
Pb Pb2 1 1.37331591 1.95062432 2.99261372 1
Ru Ru3 1 3.37822681 0.00000000 2.39328201 1
[/CIF]
|
Br2PbRu
|
Pm
| 6 |
monoclinic
|
m
| 6,866.227316 | false |
[CIF]
data_Zn2GePt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.83950911
_cell_length_b 4.83950911
_cell_length_c 4.83950911
_cell_angle_alpha 131.81372781
_cell_angle_beta 131.81372781
_cell_angle_gamma 70.52338313
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zn2GePt
_chemical_formula_sum 'Zn2 Ge1 Pt1'
_cell_volume 61.69126245
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ge Ge0 1 0.00000000 0.00000000 0.00000000 1
Pt Pt1 1 -0.00000000 0.00000000 3.95157421 1
Zn Zn2 1 -0.00000000 1.97558974 1.97578711 1
Zn Zn3 1 1.97558974 -0.00000000 1.97578710 1
[/CIF]
|
GePtZn2
|
I4/mmm
| 139 |
tetragonal
|
4/mmm
| 10,725.963826 | false |
[CIF]
data_HgTe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.29272173
_cell_length_b 7.29272173
_cell_length_c 4.19405817
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 146.67739747
_symmetry_Int_Tables_number 1
_chemical_formula_structural HgTe
_chemical_formula_sum 'Hg2 Te2'
_cell_volume 122.53632004
_cell_formula_units_Z 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hg Hg0 1 2.09092193 -4.75053210 3.14554363 1
Hg Hg1 1 2.09092193 4.75053210 1.04851454 1
Te Te2 1 2.09092193 -1.66147767 3.14554363 1
Te Te3 1 2.09092193 1.66147767 1.04851454 1
[/CIF]
|
Hg2Te2
|
Cmcm
| 63 |
orthorhombic
|
mmm
| 8,894.869963 | false |
[CIF]
data_Mn2AlRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.72682521
_cell_length_b 4.72682521
_cell_length_c 4.08903307
_cell_angle_alpha 105.72545688
_cell_angle_beta 105.72545688
_cell_angle_gamma 34.44113463
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mn2AlRh
_chemical_formula_sum 'Mn2 Al1 Rh1'
_cell_volume 49.54623153
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al Al0 1 0.00000000 0.00000000 0.00000000 1
Mn Mn1 1 1.36737167 0.00000000 2.99756849 1
Mn Mn2 1 6.50223715 0.00000000 0.92340082 1
Rh Rh3 1 3.93480441 -0.00000000 1.96048465 1
[/CIF]
|
AlMn2Rh
|
C2/m
| 12 |
monoclinic
|
2/m
| 8,035.647303 | false |
[CIF]
data_V2AgBr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.73119653
_cell_length_b 4.73119653
_cell_length_c 4.73119653
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural V2AgBr
_chemical_formula_sum 'V2 Ag1 Br1'
_cell_volume 74.88554043
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ag Ag0 1 3.34546115 3.34546115 3.34546115 1
Br Br1 1 0.00000000 0.00000000 0.00000000 1
V V2 1 5.01819173 5.01819173 5.01819173 1
V V3 1 1.67273058 1.67273058 1.67273058 1
[/CIF]
|
AgBrV2
|
Fm-3m
| 225 |
cubic
|
m-3m
| 6,422.9192 | false |
[CIF]
data_InRuSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.04800906
_cell_length_b 3.04800906
_cell_length_c 9.00326827
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural InRuSe2
_chemical_formula_sum 'In1 Ru1 Se2'
_cell_volume 83.64359626
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
In In0 1 1.52400453 1.52400453 4.81134215 1
Ru Ru1 1 0.00000000 0.00000000 6.93870262 1
Se Se2 1 1.52400453 1.52400453 8.25594830 1
Se Se3 1 0.00000000 0.00000000 2.50217760 1
[/CIF]
|
InRuSe2
|
P4mm
| 99 |
tetragonal
|
4mm
| 7,422.012338 | false |
[CIF]
data_Ca2FeOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.31778951
_cell_length_b 5.31778951
_cell_length_c 5.31778951
_cell_angle_alpha 134.44553275
_cell_angle_beta 134.44553275
_cell_angle_gamma 66.39294795
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ca2FeOs
_chemical_formula_sum 'Ca2 Fe1 Os1'
_cell_volume 75.44507873
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ca Ca0 1 -0.00000000 2.05877825 2.22495784 1
Ca Ca1 1 2.05877825 -0.00000000 2.22495784 1
Fe Fe2 1 0.00000000 0.00000000 0.00000000 1
Os Os3 1 0.00000000 0.00000000 4.44991568 1
[/CIF]
|
Ca2FeOs
|
I4/mmm
| 139 |
tetragonal
|
4/mmm
| 7,180.313539 | false |
[CIF]
data_Mg2TiAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.63658826
_cell_length_b 4.63658826
_cell_length_c 4.63658826
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg2TiAu
_chemical_formula_sum 'Mg2 Ti1 Au1'
_cell_volume 70.48238571
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Au Au0 1 3.27856300 3.27856300 3.27856300 1
Mg Mg1 1 1.63928150 1.63928150 1.63928150 1
Mg Mg2 1 4.91784450 4.91784450 4.91784450 1
Ti Ti3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
|
AuMg2Ti
|
Fm-3m
| 225 |
cubic
|
m-3m
| 6,913.422485 | false |
[CIF]
data_ReHgPb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.43557319
_cell_length_b 5.43557319
_cell_length_c 3.25124955
_cell_angle_alpha 92.63930224
_cell_angle_beta 92.63930224
_cell_angle_gamma 96.65734556
_symmetry_Int_Tables_number 1
_chemical_formula_structural ReHgPb2
_chemical_formula_sum 'Re1 Hg1 Pb2'
_cell_volume 95.18282135
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hg Hg0 1 3.61387686 -0.00000000 0.00000000 1
Pb Pb1 1 1.69434704 2.03010775 1.62172103 1
Pb Pb2 1 1.69434704 -2.03010775 1.62172103 1
Re Re3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
|
HgPb2Re
|
C2/m
| 12 |
monoclinic
|
2/m
| 13,977.510854 | false |
[CIF]
data_NdEr2Sc
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.51540385
_cell_length_b 5.51540385
_cell_length_c 5.51540385
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NdEr2Sc
_chemical_formula_sum 'Nd1 Er2 Sc1'
_cell_volume 118.63612608
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Er Er0 1 1.94998973 1.94998973 1.94998973 1
Er Er1 1 5.84996920 5.84996920 5.84996920 1
Nd Nd2 1 3.89997947 3.89997947 3.89997947 1
Sc Sc3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
|
Er2NdSc
|
Fm-3m
| 225 |
cubic
|
m-3m
| 7,330.403988 | false |
[CIF]
data_Tl2ZnPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.65551660
_cell_length_b 4.41076594
_cell_length_c 5.41739374
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tl2ZnPt
_chemical_formula_sum 'Tl2 Zn1 Pt1'
_cell_volume 87.34804200
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pt Pt0 1 0.00000000 2.20538297 2.70869687 1
Tl Tl1 1 1.82775830 2.20538297 0.00000000 1
Tl Tl2 1 1.82775830 0.00000000 2.70869687 1
Zn Zn3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
|
PtTl2Zn
|
Pmmm
| 47 |
orthorhombic
|
mmm
| 12,722.478151 | false |
[CIF]
data_MgInHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.56183758
_cell_length_b 5.56183758
_cell_length_c 5.56183758
_cell_angle_alpha 144.59776276
_cell_angle_beta 133.87823764
_cell_angle_gamma 59.45377971
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgInHg
_chemical_formula_sum 'Mg1 In1 Hg1'
_cell_volume 71.17788912
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hg Hg0 1 -0.00000000 0.00000000 9.61453610 1
In In1 1 -0.00000000 0.00000000 6.45543804 1
Mg Mg2 1 -0.00000000 0.00000000 3.24960022 1
[/CIF]
|
HgInMg
|
Imm2
| 44 |
orthorhombic
|
mm2
| 7,925.308195 | false |
[CIF]
data_Y2C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.48693293
_cell_length_b 6.48693293
_cell_length_c 6.48693293
_cell_angle_alpha 151.56565154
_cell_angle_beta 151.56565154
_cell_angle_gamma 40.64793732
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y2C
_chemical_formula_sum 'Y2 C1'
_cell_volume 61.76065593
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.00000000 0.00000000 0.00000000 1
Y Y1 1 0.00000000 -0.00000000 4.68710717 1
Y Y2 1 -0.00000000 -0.00000000 7.47905405 1
[/CIF]
|
CY2
|
I4/mmm
| 139 |
tetragonal
|
4/mmm
| 5,103.694355 | false |
[CIF]
data_Li3RePb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.85955692
_cell_length_b 4.85955692
_cell_length_c 4.85955692
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Li3RePb
_chemical_formula_sum 'Li3 Re1 Pb1'
_cell_volume 114.75986275
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pb Pb0 1 2.42977846 2.42977846 2.42977846 1
Re Re1 1 0.00000000 0.00000000 0.00000000 1
Li Li2 1 0.00000000 2.42977846 0.00000000 1
Li Li3 1 0.00000000 0.00000000 2.42977846 1
Li Li4 1 2.42977846 0.00000000 0.00000000 1
[/CIF]
|
Li3PbRe
|
Pm-3m
| 221 |
cubic
|
m-3m
| 5,993.777625 | false |
[CIF]
data_YTc2Cl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.16832309
_cell_length_b 3.16832309
_cell_length_c 8.20769256
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YTc2Cl
_chemical_formula_sum 'Y1 Tc2 Cl1'
_cell_volume 82.39104389
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cl Cl0 1 0.00000000 0.00000000 5.80636327 1
Tc Tc1 1 1.58416155 1.58416155 0.65246954 1
Tc Tc2 1 0.00000000 0.00000000 1.85526166 1
Y Y3 1 1.58416155 1.58416155 3.99744438 1
[/CIF]
|
ClTc2Y
|
P4mm
| 99 |
tetragonal
|
4mm
| 6,493.305441 | false |
[CIF]
data_In3Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.81715830
_cell_length_b 4.61726334
_cell_length_c 5.55564533
_cell_angle_alpha 90.00000000
_cell_angle_beta 107.94548306
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural In3Pt
_chemical_formula_sum 'In3 Pt1'
_cell_volume 93.15361306
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
In In0 1 0.16239034 2.30863167 3.82899129 1
In In1 1 1.94300738 2.30863167 1.45637254 1
In In2 1 0.00000000 0.00000000 0.00000000 1
Pt Pt3 1 -0.85588029 0.00000000 2.64268191 1
[/CIF]
|
In3Pt
|
P2/m
| 10 |
monoclinic
|
2/m
| 9,617.704537 | false |
[CIF]
data_BaCaSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.39121586
_cell_length_b 7.39121586
_cell_length_c 7.39121586
_cell_angle_alpha 150.86773895
_cell_angle_beta 147.29902918
_cell_angle_gamma 44.35681101
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaCaSi
_chemical_formula_sum 'Ba1 Ca1 Si1'
_cell_volume 105.89010418
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ba Ba0 1 0.00000000 0.00000000 13.19780280 1
Ca Ca1 1 -0.00000000 0.00000000 9.81556401 1
Si Si2 1 -0.00000000 0.00000000 4.36407873 1
[/CIF]
|
BaCaSi
|
Imm2
| 44 |
orthorhombic
|
mm2
| 3,222.444682 | false |
[CIF]
data_CuMoPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.06129004
_cell_length_b 3.06129004
_cell_length_c 6.92887458
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CuMoPb
_chemical_formula_sum 'Cu1 Mo1 Pb1'
_cell_volume 56.23442880
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu Cu0 1 0.00000000 0.00000000 0.15614468 1
Mo Mo1 1 0.00000000 1.76743663 2.14540323 1
Pb Pb2 1 1.53064502 0.88371831 4.62732666 1
[/CIF]
|
CuMoPb
|
P3m1
| 156 |
trigonal
|
3m
| 10,828.413333 | false |
[CIF]
data_LiZn2Bi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.69389216
_cell_length_b 4.69389216
_cell_length_c 5.54795255
_cell_angle_alpha 99.43449565
_cell_angle_beta 99.43449565
_cell_angle_gamma 41.93834497
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiZn2Bi
_chemical_formula_sum 'Li1 Zn2 Bi1'
_cell_volume 80.42541387
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Bi Bi0 1 3.89271931 0.00000000 2.63825538 1
Li Li1 1 6.30754340 -0.00000000 1.15426135 1
Zn Zn2 1 7.79528724 0.00000000 5.37199077 1
Zn Zn3 1 1.48480254 0.00000000 4.48999228 1
[/CIF]
|
BiLiZn2
|
Cm
| 8 |
monoclinic
|
m
| 7,157.911668 | false |
[CIF]
data_K2TcPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.82041573
_cell_length_b 5.82041573
_cell_length_c 5.82041573
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural K2TcPb
_chemical_formula_sum 'K2 Tc1 Pb1'
_cell_volume 139.42704362
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
K K0 1 2.05782772 2.05782772 2.05782772 1
K K1 1 6.17348315 6.17348315 6.17348315 1
Pb Pb2 1 4.11565543 4.11565543 4.11565543 1
Tc Tc3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
|
K2PbTc
|
Fm-3m
| 225 |
cubic
|
m-3m
| 4,576.944302 | false |
[CIF]
data_BeAl3Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.44621755
_cell_length_b 4.44621755
_cell_length_c 4.44621755
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BeAl3Ni
_chemical_formula_sum 'Be1 Al3 Ni1'
_cell_volume 87.89661004
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ni Ni0 1 2.22310878 2.22310878 2.22310878 1
Al Al1 1 2.22310878 0.00000000 2.22310878 1
Al Al2 1 2.22310878 2.22310878 0.00000000 1
Al Al3 1 0.00000000 2.22310878 2.22310878 1
Be Be4 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
|
Al3BeNi
|
Pm-3m
| 221 |
cubic
|
m-3m
| 2,808.293296 | false |
[CIF]
data_Rb3Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.49879026
_cell_length_b 5.49879026
_cell_length_c 5.49879026
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Rb3Pt
_chemical_formula_sum 'Rb3 Pt1'
_cell_volume 166.26524024
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Rb Rb0 1 2.74939513 2.74939513 0.00000000 1
Rb Rb1 1 2.74939513 0.00000000 2.74939513 1
Rb Rb2 1 0.00000000 2.74939513 2.74939513 1
Pt Pt3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
|
PtRb3
|
Pm-3m
| 221 |
cubic
|
m-3m
| 4,509.135311 | false |
[CIF]
data_Zr2MnIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.59965060
_cell_length_b 4.59965060
_cell_length_c 4.59965060
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zr2MnIr
_chemical_formula_sum 'Zr2 Mn1 Ir1'
_cell_volume 68.81126326
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ir Ir0 1 3.25244413 3.25244413 3.25244413 1
Mn Mn1 1 0.00000000 0.00000000 0.00000000 1
Zr Zr2 1 1.62622207 1.62622207 1.62622206 1
Zr Zr3 1 4.87866620 4.87866620 4.87866620 1
[/CIF]
|
IrMnZr2
|
Fm-3m
| 225 |
cubic
|
m-3m
| 10,367.091165 | false |
[CIF]
data_Cs2CdMo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.52469208
_cell_length_b 6.52469208
_cell_length_c 6.52469208
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cs2CdMo
_chemical_formula_sum 'Cs2 Cd1 Mo1'
_cell_volume 196.41066475
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cd Cd0 1 4.61365402 4.61365402 4.61365402 1
Cs Cs1 1 2.30682701 2.30682701 2.30682701 1
Cs Cs2 1 6.92048103 6.92048103 6.92048103 1
Mo Mo3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
|
CdCs2Mo
|
Fm-3m
| 225 |
cubic
|
m-3m
| 4,008.934937 | false |
[CIF]
data_Mg2AlGa
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.26507922
_cell_length_b 5.26507922
_cell_length_c 5.26507922
_cell_angle_alpha 132.68718218
_cell_angle_beta 132.68718218
_cell_angle_gamma 69.14583884
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg2AlGa
_chemical_formula_sum 'Mg2 Al1 Ga1'
_cell_volume 77.39632441
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al Al0 1 0.00000000 0.00000000 4.33529079 1
Ga Ga1 1 0.00000000 2.11261839 2.16764539 1
Mg Mg2 1 0.00000000 0.00000000 0.00000000 1
Mg Mg3 1 2.11261839 -0.00000000 2.16764540 1
[/CIF]
|
AlGaMg2
|
I-4m2
| 119 |
tetragonal
|
-42m
| 3,117.725165 | false |
[CIF]
data_MgCoPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.99899644
_cell_length_b 3.99899644
_cell_length_c 3.57017739
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgCoPd2
_chemical_formula_sum 'Mg1 Co1 Pd2'
_cell_volume 57.09417874
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Co Co0 1 1.99949822 1.99949822 0.00000000 1
Mg Mg1 1 0.00000000 0.00000000 0.00000000 1
Pd Pd2 1 0.00000000 1.99949822 1.78508870 1
Pd Pd3 1 1.99949822 0.00000000 1.78508870 1
[/CIF]
|
CoMgPd2
|
P4/mmm
| 123 |
tetragonal
|
4/mmm
| 8,611.200309 | false |
[CIF]
data_KCrSn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.29663428
_cell_length_b 3.29663428
_cell_length_c 8.82920547
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KCrSn2
_chemical_formula_sum 'K1 Cr1 Sn2'
_cell_volume 95.95401781
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cr Cr0 1 0.00000000 0.00000000 4.41460273 1
K K1 1 0.00000000 0.00000000 0.00000000 1
Sn Sn2 1 1.64831714 1.64831714 2.81051975 1
Sn Sn3 1 1.64831714 1.64831714 6.01868572 1
[/CIF]
|
CrKSn2
|
P4/mmm
| 123 |
tetragonal
|
4/mmm
| 5,685.129269 | false |
[CIF]
data_ZnCrW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.79577775
_cell_length_b 6.63531609
_cell_length_c 2.64052897
_cell_angle_alpha 82.09842154
_cell_angle_beta 75.26620124
_cell_angle_gamma 22.63537722
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZnCrW
_chemical_formula_sum 'Zn1 Cr1 W1'
_cell_volume 42.77800519
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cr Cr0 1 1.55196935 2.13630157 0.00972928 1
W W1 1 1.55196935 2.13630157 8.52769710 1
Zn Zn2 1 1.55196935 2.13630157 4.36510231 1
[/CIF]
|
CrWZn
|
Fmm2
| 42 |
orthorhombic
|
mm2
| 11,692.483073 | false |
[CIF]
data_AlRh3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.83399472
_cell_length_b 3.83399472
_cell_length_c 3.83399472
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural AlRh3
_chemical_formula_sum 'Al1 Rh3'
_cell_volume 56.35786486
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al Al0 1 0.00000000 0.00000000 0.00000000 1
Rh Rh1 1 0.00000000 1.91699736 1.91699736 1
Rh Rh2 1 1.91699736 0.00000000 1.91699736 1
Rh Rh3 1 1.91699736 1.91699736 0.00000000 1
[/CIF]
|
AlRh3
|
Pm-3m
| 221 |
cubic
|
m-3m
| 9,891.072152 | false |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.