Datasets:
n0w0f
/
nomad-structure-csv

Dataset card Data Studio Files Community
1
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_KPa2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44384540 _cell_length_b 5.44384540 _cell_length_c 5.44384540 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KPa2Te _chemical_formula_sum 'K1 Pa2 Te1' _cell_volume 114.07811918 _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 Pa Pa1 1 5.77407000 5.77407000 5.77407000 1 Pa Pa2 1 1.92469000 1.92469000 1.92469000 1 Te Te3 1 3.84938000 3.84938000 3.84938000 1 [/CIF]
KPa2Te
Fm-3m
225
cubic
m-3m
9,152.476005
false
[CIF] data_Cr2ReTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.97696786 _cell_length_b 3.95682582 _cell_length_c 5.18654604 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2ReTe _chemical_formula_sum 'Cr2 Re1 Te1' _cell_volume 61.09410631 _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 1.48848393 1.97841291 0.08392993 1 Cr Cr1 1 0.00000000 0.00000000 1.36412405 1 Re Re2 1 1.48848393 1.97841291 2.35625637 1 Te Te3 1 0.00000000 0.00000000 3.97550870 1 [/CIF]
Cr2ReTe
Pmm2
25
orthorhombic
mm2
11,355.790852
false
[CIF] data_PIrW3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39306239 _cell_length_b 4.39306239 _cell_length_c 4.39306239 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PIrW3 _chemical_formula_sum 'P1 Ir1 W3' _cell_volume 84.78169860 _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 Ir Ir1 1 2.19653119 2.19653119 2.19653119 1 W W2 1 0.00000000 2.19653119 0.00000000 1 W W3 1 0.00000000 0.00000000 2.19653119 1 W W4 1 2.19653119 0.00000000 0.00000000 1 [/CIF]
IrPW3
Pm-3m
221
cubic
m-3m
15,173.528095
false
[CIF] data_CoAgIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.74095450 _cell_length_b 4.62935156 _cell_length_c 4.65417373 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoAgIr2 _chemical_formula_sum 'Co1 Ag1 Ir2' _cell_volume 59.05607506 _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 1.37047725 0.00000000 2.32708687 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 Ir Ir2 1 0.00000000 2.31467578 2.32708687 1 Ir Ir3 1 1.37047725 2.31467578 0.00000000 1 [/CIF]
AgCoIr2
Pmmm
47
orthorhombic
mmm
15,499.640086
false
[CIF] data_MgIn2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.96930412 _cell_length_b 5.10077872 _cell_length_c 5.45745485 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgIn2W _chemical_formula_sum 'Mg1 In2 W1' _cell_volume 82.65731921 _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 1.48465206 2.55038936 0.00000000 1 In In1 1 0.00000000 2.55038936 2.72872743 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 1.48465206 0.00000000 2.72872743 1 [/CIF]
In2MgW
Pmmm
47
orthorhombic
mmm
8,794.774136
false
[CIF] data_KMg2V _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.69847401 _cell_length_b 6.69847401 _cell_length_c 6.69847401 _cell_angle_alpha 152.24776127 _cell_angle_beta 128.98743526 _cell_angle_gamma 59.06138775 _symmetry_Int_Tables_number 1 _chemical_formula_structural KMg2V _chemical_formula_sum 'K1 Mg2 V1' _cell_volume 108.02604317 _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 8.64834059 1 Mg Mg1 1 1.60645102 0.00000000 0.26120506 1 Mg Mg2 1 0.00000000 -0.00000000 3.08837334 1 V V3 1 1.60645102 0.00000000 5.48694243 1 [/CIF]
KMg2V
Imm2
44
orthorhombic
mm2
2,131.276891
false
[CIF] data_AlCrGaW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33216882 _cell_length_b 4.33216882 _cell_length_c 4.33216882 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCrGaW _chemical_formula_sum 'Al1 Cr1 Ga1 W1' _cell_volume 57.49116629 _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 Cr Cr1 1 4.59495893 4.59495893 4.59495893 1 Ga Ga2 1 3.06330595 3.06330595 3.06330595 1 W W3 1 1.53165298 1.53165298 1.53165298 1 [/CIF]
AlCrGaW
F-43m
216
cubic
-43m
9,604.896843
false
[CIF] data_YNi2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.13010986 _cell_length_b 3.13010986 _cell_length_c 6.63070860 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YNi2W _chemical_formula_sum 'Y1 Ni2 W1' _cell_volume 64.96494926 _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 1.56505493 1.56505493 1.99949310 1 Ni Ni1 1 1.56505493 1.56505493 4.63121550 1 W W2 1 0.00000000 0.00000000 3.31535430 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ni2WY
P4/mmm
123
tetragonal
4/mmm
9,972.0005
false
[CIF] data_TlHgBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98408550 _cell_length_b 3.98408550 _cell_length_c 7.87144794 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlHgBi2 _chemical_formula_sum 'Tl1 Hg1 Bi2' _cell_volume 124.94299939 _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 0.20440545 1 Bi Bi1 1 1.99204275 1.99204275 1.85113927 1 Hg Hg2 1 0.00000000 0.00000000 3.91340416 1 Tl Tl3 1 1.99204275 1.99204275 5.83822303 1 [/CIF]
Bi2HgTl
P4mm
99
tetragonal
4mm
10,937.10115
false
[CIF] data_InIrPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02862833 _cell_length_b 5.02862833 _cell_length_c 5.02862833 _cell_angle_alpha 146.52854427 _cell_angle_beta 133.81055804 _cell_angle_gamma 58.23497815 _symmetry_Int_Tables_number 1 _chemical_formula_structural InIrPt _chemical_formula_sum 'In1 Ir1 Pt1' _cell_volume 50.19117286 _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 0.01524864 1 Ir Ir1 1 -0.00000000 0.00000000 5.84945871 1 Pt Pt2 1 0.00000000 0.00000000 2.92155075 1 [/CIF]
InIrPt
Imm2
44
orthorhombic
mm2
16,612.248092
false
[CIF] data_Ba2CdBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.86963648 _cell_length_b 7.86963648 _cell_length_c 7.86963648 _cell_angle_alpha 143.93521103 _cell_angle_beta 143.93521103 _cell_angle_gamma 51.92418549 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2CdBr _chemical_formula_sum 'Ba2 Cd1 Br1' _cell_volume 167.95731291 _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 7.07546329 1 Ba Ba1 1 0.00000000 2.43608267 3.53773165 1 Br Br2 1 0.00000000 0.00000000 0.00000000 1 Cd Cd3 1 2.43608267 0.00000000 3.53773164 1 [/CIF]
Ba2BrCd
I-4m2
119
tetragonal
-42m
4,616.769904
false
[CIF] data_K2NbPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20860654 _cell_length_b 5.20860654 _cell_length_c 5.20860654 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2NbPt _chemical_formula_sum 'K2 Nb1 Pt1' _cell_volume 99.91936334 _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 K K1 1 5.52456151 5.52456151 5.52456151 1 Nb Nb2 1 3.68304101 3.68304101 3.68304101 1 Pt Pt3 1 1.84152050 1.84152050 1.84152050 1 [/CIF]
K2NbPt
F-43m
216
cubic
-43m
6,085.600528
false
[CIF] data_Y2SiPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26968316 _cell_length_b 5.26968316 _cell_length_c 5.26968316 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2SiPb _chemical_formula_sum 'Y2 Si1 Pb1' _cell_volume 103.47573388 _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 5.58934305 5.58934305 5.58934305 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 1.86311435 1.86311435 1.86311435 1 Y Y3 1 3.72622870 3.72622870 3.72622870 1 [/CIF]
PbSiY2
F-43m
216
cubic
-43m
6,629.226131
false
[CIF] data_SiBiO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.80644238 _cell_length_b 3.80644238 _cell_length_c 3.80644238 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiBiO3 _chemical_formula_sum 'Si1 Bi1 O3' _cell_volume 55.15155732 _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 1.90322119 1.90322119 1.90322119 1 O O1 1 1.90322119 0.00000000 0.00000000 1 O O2 1 0.00000000 1.90322119 0.00000000 1 O O3 1 0.00000000 0.00000000 1.90322119 1 Si Si4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiO3Si
Pm-3m
221
cubic
m-3m
8,582.895888
false
[CIF] data_YNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.41970843 _cell_length_b 3.41970843 _cell_length_c 7.32260601 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YNi _chemical_formula_sum 'Y2 Ni2' _cell_volume 85.63352580 _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 Ni Ni0 1 1.70985422 0.00000000 4.27526771 1 Ni Ni1 1 0.00000000 1.70985422 3.04733830 1 Y Y2 1 1.70985422 0.00000000 1.55391602 1 Y Y3 1 0.00000000 1.70985422 5.76868999 1 [/CIF]
Ni2Y2
P4/nmm
129
tetragonal
4/mmm
5,724.260879
false
[CIF] data_YRuCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39694168 _cell_length_b 4.39694168 _cell_length_c 4.39694168 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YRuCl _chemical_formula_sum 'Y1 Ru1 Cl1' _cell_volume 60.10867001 _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 Ru Ru1 1 1.55455364 1.55455364 1.55455364 1 Y Y2 1 4.66366092 4.66366092 4.66366092 1 [/CIF]
ClRuY
F-43m
216
cubic
-43m
6,227.610961
false
[CIF] data_ScFeCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27610231 _cell_length_b 4.27610231 _cell_length_c 4.27610231 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScFeCu _chemical_formula_sum 'Sc1 Fe1 Cu1' _cell_volume 55.28779437 _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 4.53549141 4.53549141 4.53549141 1 Fe Fe1 1 1.51183047 1.51183047 1.51183047 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CuFeSc
F-43m
216
cubic
-43m
4,936.070808
false
[CIF] data_ReBiB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41016751 _cell_length_b 4.41016751 _cell_length_c 4.41016751 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReBiB2 _chemical_formula_sum 'Re1 Bi1 B2' _cell_volume 60.65271661 _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 4.67768903 4.67768903 4.67768903 1 B B1 1 0.00000000 0.00000000 0.00000000 1 Bi Bi2 1 1.55922968 1.55922968 1.55922968 1 Re Re3 1 3.11845935 3.11845935 3.11845935 1 [/CIF]
B2BiRe
F-43m
216
cubic
-43m
11,411.332101
false
[CIF] data_MgSn2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.95653394 _cell_length_b 6.95653394 _cell_length_c 6.95653394 _cell_angle_alpha 154.32434344 _cell_angle_beta 142.95719584 _cell_angle_gamma 45.61735628 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgSn2Rh _chemical_formula_sum 'Mg1 Sn2 Rh1' _cell_volume 87.61277706 _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 Mg Mg0 1 -0.00000000 -0.00000000 7.22645321 1 Rh Rh1 1 -0.00000000 2.20980470 3.18769527 1 Sn Sn2 1 -0.00000000 -0.00000000 12.05676457 1 Sn Sn3 1 1.54568807 -0.00000000 3.17934265 1 [/CIF]
MgRhSn2
Imm2
44
orthorhombic
mm2
6,910.916424
false
[CIF] data_BaHgB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09230711 _cell_length_b 5.09230711 _cell_length_c 5.09230711 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaHgB _chemical_formula_sum 'Ba1 Hg1 B1' _cell_volume 93.37460224 _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 0.00000000 0.00000000 0.00000000 1 Ba Ba1 1 3.60080489 3.60080489 3.60080489 1 Hg Hg2 1 5.40120734 5.40120734 5.40120734 1 [/CIF]
BBaHg
F-43m
216
cubic
-43m
6,201.648561
false
[CIF] data_Hf2ZnRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32097807 _cell_length_b 5.32097807 _cell_length_c 5.32097807 _cell_angle_alpha 136.52876949 _cell_angle_beta 136.52876949 _cell_angle_gamma 63.16390012 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2ZnRu _chemical_formula_sum 'Hf2 Zn1 Ru1' _cell_volume 70.40170809 _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 1.97048715 -0.00000000 2.26644923 1 Hf Hf1 1 0.00000000 -0.00000000 4.53289846 1 Ru Ru2 1 0.00000000 1.97048715 2.26644923 1 Zn Zn3 1 0.00000000 -0.00000000 0.00000000 1 [/CIF]
Hf2RuZn
I-4m2
119
tetragonal
-42m
12,345.949938
false
[CIF] data_Na2CrIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.91342365 _cell_length_b 2.91342365 _cell_length_c 10.44232062 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 93.22500968 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2CrIn _chemical_formula_sum 'Na2 Cr1 In1' _cell_volume 88.49443703 _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 4.98343900 1 In In1 1 2.00131496 0.00000000 2.96570312 1 Na Na2 1 0.00000000 0.00000000 0.26580833 1 Na Na3 1 2.00131496 0.00000000 7.44853058 1 [/CIF]
CrInNa2
Cmm2
35
orthorhombic
mm2
3,992.93065
false
[CIF] data_Th2MnV _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08716552 _cell_length_b 5.08716552 _cell_length_c 5.08716552 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th2MnV _chemical_formula_sum 'Th2 Mn1 V1' _cell_volume 93.09205260 _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 3.59716923 3.59716923 3.59716923 1 Th Th1 1 1.79858462 1.79858462 1.79858462 1 Th Th2 1 5.39575385 5.39575385 5.39575385 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
MnTh2V
Fm-3m
225
cubic
m-3m
10,166.642818
false
[CIF] data_TiCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54276406 _cell_length_b 5.54276406 _cell_length_c 5.54276406 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCo2 _chemical_formula_sum 'Ti4 Co8' _cell_volume 170.28609127 _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 Co Co0 1 0.65490102 3.42628305 4.88786304 1 Co Co1 1 0.65490102 4.88786304 2.11648101 1 Co Co2 1 2.11648101 0.65490102 4.88786304 1 Co Co3 1 2.11648101 2.11648101 2.11648101 1 Co Co4 1 3.42628305 3.42628305 3.42628305 1 Co Co5 1 3.42628305 4.88786304 0.65490102 1 Co Co6 1 4.88786304 0.65490102 3.42628305 1 Co Co7 1 4.88786304 2.11648101 0.65490102 1 Ti Ti8 1 0.00000000 0.00000000 0.00000000 1 Ti Ti9 1 0.00000000 2.77138203 2.77138203 1 Ti Ti10 1 2.77138203 0.00000000 2.77138203 1 Ti Ti11 1 2.77138203 2.77138203 0.00000000 1 [/CIF]
Co8Ti4
Pa-3
205
cubic
m-3
6,464.574216
false
[CIF] data_YZrBe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28607924 _cell_length_b 3.28607924 _cell_length_c 6.55781394 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YZrBe2 _chemical_formula_sum 'Y1 Zr1 Be2' _cell_volume 70.81335230 _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 1.64303962 1.64303962 4.70989339 1 Be Be1 1 1.64303962 1.64303962 1.84792055 1 Y Y2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 0.00000000 0.00000000 3.27890697 1 [/CIF]
Be2YZr
P4/mmm
123
tetragonal
4/mmm
4,646.702515
false
[CIF] data_ZrTlSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.00000357 _cell_length_b 4.62446706 _cell_length_c 5.72183135 _cell_angle_alpha 90.00000000 _cell_angle_beta 94.71259625 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTlSi2 _chemical_formula_sum 'Zr1 Tl1 Si2' _cell_volume 79.11299554 _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 Si Si0 1 1.82819499 2.31223353 5.56777540 1 Si Si1 1 2.39576972 0.00000000 1.27981522 1 Tl Tl2 1 1.80131371 2.31223353 2.78970267 1 Zr Zr3 1 0.29950044 0.00000000 4.61892630 1 [/CIF]
Si2TlZr
Pm
6
monoclinic
m
7,383.636607
false
[CIF] data_SrTiRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61261755 _cell_length_b 4.61261755 _cell_length_c 4.61261755 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTiRe _chemical_formula_sum 'Sr1 Ti1 Re1' _cell_volume 69.39486639 _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 Re Re0 1 1.63080658 1.63080658 1.63080658 1 Sr Sr1 1 4.89241972 4.89241973 4.89241973 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
ReSrTi
F-43m
216
cubic
-43m
7,697.766165
false
[CIF] data_CuOs5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.08124994 _cell_length_b 6.08124994 _cell_length_c 3.84243613 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 143.36229008 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuOs5 _chemical_formula_sum 'Cu1 Os5' _cell_volume 84.79828518 _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 0.00000000 1 Os Os1 1 1.91136652 -3.83389278 1.92121806 1 Os Os2 1 1.91136652 -1.97892682 0.00000000 1 Os Os3 1 1.91136652 0.00000000 1.92121806 1 Os Os4 1 1.91136652 1.97892682 0.00000000 1 Os Os5 1 1.91136651 3.83389278 1.92121806 1 [/CIF]
CuOs5
Cmmm
65
orthorhombic
mmm
19,870.004979
false
[CIF] data_Sc2RuPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.26032544 _cell_length_b 3.26032544 _cell_length_c 7.95201780 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2RuPb _chemical_formula_sum 'Sc2 Ru1 Pb1' _cell_volume 84.52773835 _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 0.00000000 0.00000000 3.97600890 1 Ru Ru1 1 0.00000000 0.00000000 0.00000000 1 Sc Sc2 1 1.63016272 1.63016272 1.54246824 1 Sc Sc3 1 1.63016272 1.63016272 6.40954956 1 [/CIF]
PbRuSc2
P4/mmm
123
tetragonal
4/mmm
7,822.242583
false
[CIF] data_KCaBe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.35380912 _cell_length_b 5.35380912 _cell_length_c 3.53521350 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.72729681 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCaBe2 _chemical_formula_sum 'K1 Ca1 Be2' _cell_volume 101.32262310 _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 1.88080562 1.90483287 1.76760675 1 Be Be1 1 1.88080562 -1.90483287 1.76760675 1 Ca Ca2 1 3.76161124 0.00000000 0.00000000 1 K K3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Be2CaK
Cmmm
65
orthorhombic
mmm
1,592.989861
false
[CIF] data_GaC2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.00294804 _cell_length_b 3.00294804 _cell_length_c 3.15145615 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaC2 _chemical_formula_sum 'Ga1 C2' _cell_volume 28.41887645 _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 1.50147402 1.57572808 1 C C1 1 1.50147402 0.00000000 1.57572808 1 Ga Ga2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
C2Ga
P4/mmm
123
tetragonal
4/mmm
5,477.564841
false
[CIF] data_InHg3B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84173095 _cell_length_b 4.84173095 _cell_length_c 4.84173095 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InHg3B _chemical_formula_sum 'In1 Hg3 B1' _cell_volume 113.50159314 _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 0.00000000 0.00000000 0.00000000 1 Hg Hg1 1 0.00000000 2.42086548 0.00000000 1 Hg Hg2 1 0.00000000 0.00000000 2.42086548 1 Hg Hg3 1 2.42086548 0.00000000 0.00000000 1 In In4 1 2.42086548 2.42086548 2.42086548 1 [/CIF]
BHg3In
Pm-3m
221
cubic
m-3m
10,641.916321
false
[CIF] data_MgSiHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92823711 _cell_length_b 4.92823711 _cell_length_c 4.92823711 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgSiHg2 _chemical_formula_sum 'Mg1 Si1 Hg2' _cell_volume 84.63690745 _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 1.74239494 1.74239494 1.74239494 1 Hg Hg1 1 5.22718482 5.22718482 5.22718482 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Si Si3 1 3.48478988 3.48478988 3.48478988 1 [/CIF]
Hg2MgSi
Fm-3m
225
cubic
m-3m
8,898.854618
false
[CIF] data_MoIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38122951 _cell_length_b 4.38122951 _cell_length_c 5.49024660 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MoIr2 _chemical_formula_sum 'Mo2 Ir4' _cell_volume 91.26715057 _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 Ir Ir0 1 0.00000000 0.00000000 2.74512330 1 Ir Ir1 1 0.00000000 0.00000000 0.00000000 1 Ir Ir2 1 -0.00000000 2.52950404 4.11768495 1 Ir Ir3 1 2.19061475 1.26475202 1.37256165 1 Mo Mo4 1 2.19061475 1.26475202 4.11768495 1 Mo Mo5 1 -0.00000000 2.52950404 1.37256165 1 [/CIF]
Ir4Mo2
P6_3/mmc
194
hexagonal
6/mmm
17,480.834644
false
[CIF] data_K2NaHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.29312821 _cell_length_b 6.29312821 _cell_length_c 6.29312821 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2NaHg _chemical_formula_sum 'K2 Na1 Hg1' _cell_volume 176.23198815 _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 4.44991363 4.44991363 4.44991363 1 K K1 1 6.67487045 6.67487045 6.67487045 1 K K2 1 2.22495681 2.22495681 2.22495681 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgK2Na
Fm-3m
225
cubic
m-3m
2,843.476124
false
[CIF] data_NaZnMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68951812 _cell_length_b 4.68951812 _cell_length_c 4.68951812 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaZnMo _chemical_formula_sum 'Na1 Zn1 Mo1' _cell_volume 72.92386120 _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 1.65799503 1.65799503 1.65799503 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 3.31599006 3.31599006 3.31599006 1 [/CIF]
MoNaZn
F-43m
216
cubic
-43m
4,197.347452
false
[CIF] data_Be2AlSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.01145147 _cell_length_b 4.01145147 _cell_length_c 3.73229951 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2AlSn _chemical_formula_sum 'Be2 Al1 Sn1' _cell_volume 60.05920413 _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 Be Be1 1 0.00000000 2.00572573 1.86614975 1 Be Be2 1 2.00572573 0.00000000 1.86614975 1 Sn Sn3 1 2.00572573 2.00572573 0.00000000 1 [/CIF]
AlBe2Sn
P4/mmm
123
tetragonal
4/mmm
4,526.477765
false
[CIF] data_MnHgOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19970637 _cell_length_b 4.19970637 _cell_length_c 4.19970637 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnHgOs _chemical_formula_sum 'Mn1 Hg1 Os1' _cell_volume 52.37714014 _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 4.45446127 4.45446127 4.45446127 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 1.48482042 1.48482042 1.48482042 1 [/CIF]
HgMnOs
F-43m
216
cubic
-43m
14,132.093619
false
[CIF] data_BiPdRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.00477875 _cell_length_b 3.00477875 _cell_length_c 7.80057272 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiPdRu2 _chemical_formula_sum 'Bi1 Pd1 Ru2' _cell_volume 70.42899473 _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 1.50238938 1.50238938 3.86647353 1 Pd Pd1 1 0.00000000 0.00000000 6.06390056 1 Ru Ru2 1 1.50238938 1.50238938 0.13460575 1 Ru Ru3 1 0.00000000 0.00000000 1.63587932 1 [/CIF]
BiPdRu2
P4mm
99
tetragonal
4mm
12,202.604784
false
[CIF] data_LiYHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95246470 _cell_length_b 4.95246470 _cell_length_c 4.95246470 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiYHg2 _chemical_formula_sum 'Li1 Y1 Hg2' _cell_volume 85.89129828 _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 3.50192137 3.50192137 3.50192137 1 Hg Hg1 1 1.75096069 1.75096069 1.75096069 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 5.25288206 5.25288206 5.25288206 1 [/CIF]
Hg2LiY
F-43m
216
cubic
-43m
9,609.138018
false
[CIF] data_Cd2BPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.39636012 _cell_length_b 5.23997752 _cell_length_c 5.23997752 _cell_angle_alpha 48.14374862 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2BPt _chemical_formula_sum 'Cd2 B1 Pt1' _cell_volume 69.45837902 _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 0.00000000 0.00000000 5.35925014 1 Cd Cd1 1 1.69818006 -0.00000000 9.36632326 1 Cd Cd2 1 0.00000000 -0.00000000 2.85423786 1 Pt Pt3 1 1.69818006 0.00000000 6.49997529 1 [/CIF]
BCd2Pt
Amm2
38
orthorhombic
mm2
10,297.885305
false
[CIF] data_Pb3WSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41572318 _cell_length_b 5.41572318 _cell_length_c 5.41572318 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pb3WSe _chemical_formula_sum 'Pb3 W1 Se1' _cell_volume 158.84347261 _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 2.70786159 0.00000000 2.70786159 1 Pb Pb1 1 2.70786159 2.70786159 0.00000000 1 Pb Pb2 1 0.00000000 2.70786159 2.70786159 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 W W4 1 2.70786159 2.70786159 2.70786159 1 [/CIF]
Pb3SeW
Pm-3m
221
cubic
m-3m
9,245.458604
false
[CIF] data_BeCrCd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.43545732 _cell_length_b 6.79035962 _cell_length_c 6.79035962 _cell_angle_alpha 23.96061424 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeCrCd2 _chemical_formula_sum 'Be1 Cr1 Cd2' _cell_volume 64.32980841 _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 0.33735680 1 Cd Cd1 1 1.71772866 -0.00000000 2.26336663 1 Cd Cd2 1 0.00000000 -0.00000000 11.07459217 1 Cr Cr3 1 1.71772866 -0.00000000 6.34709266 1 [/CIF]
BeCd2Cr
Amm2
38
orthorhombic
mm2
7,378.122363
false
[CIF] data_ZrBeRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37317633 _cell_length_b 4.37317633 _cell_length_c 4.37317633 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrBeRh2 _chemical_formula_sum 'Zr1 Be1 Rh2' _cell_volume 59.13927135 _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 Rh Rh1 1 4.63845396 4.63845396 4.63845396 1 Rh Rh2 1 1.54615132 1.54615132 1.54615132 1 Zr Zr3 1 3.09230264 3.09230264 3.09230264 1 [/CIF]
BeRh2Zr
Fm-3m
225
cubic
m-3m
8,593.330461
false
[CIF] data_ZrNi4Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82238891 _cell_length_b 4.82238891 _cell_length_c 4.82238891 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrNi4Ge _chemical_formula_sum 'Zr1 Ni4 Ge1' _cell_volume 79.29972805 _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 Ni Ni1 1 4.26129595 4.26129595 2.55859185 1 Ni Ni2 1 4.26129595 2.55859185 4.26129595 1 Ni Ni3 1 2.55859185 4.26129595 4.26129595 1 Ni Ni4 1 2.55859185 2.55859185 2.55859185 1 Zr Zr5 1 5.11491585 5.11491585 5.11491585 1 [/CIF]
GeNi4Zr
F-43m
216
cubic
-43m
8,347.485225
false
[CIF] data_SrPPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.46279645 _cell_length_b 6.46279645 _cell_length_c 6.46279645 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrPPd _chemical_formula_sum 'Sr4 P4 Pd4' _cell_volume 269.93638857 _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 P P0 1 0.46017399 3.69157221 6.00262246 1 P P1 1 2.77122424 2.77122424 2.77122424 1 P P2 1 6.00262246 0.46017399 3.69157221 1 P P3 1 3.69157221 6.00262246 0.46017399 1 Pd Pd4 1 4.25422508 1.02282685 2.20857137 1 Pd Pd5 1 5.43996960 5.43996960 5.43996960 1 Pd Pd6 1 2.20857137 4.25422508 1.02282685 1 Pd Pd7 1 1.02282685 2.20857137 4.25422508 1 Sr Sr8 1 2.25594289 5.48734112 4.20685356 1 Sr Sr9 1 0.97545533 0.97545533 0.97545533 1 Sr Sr10 1 4.20685356 2.25594289 5.48734112 1 Sr Sr11 1 5.48734112 4.20685356 2.25594289 1 [/CIF]
P4Pd4Sr4
P2_13
198
cubic
23
5,536.773227
false
[CIF] data_HSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.33084549 _cell_length_b 3.33084549 _cell_length_c 3.33084549 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HSe _chemical_formula_sum 'H1 Se1' _cell_volume 26.13054467 _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 H H0 1 0.00000000 0.00000000 0.00000000 1 Se Se1 1 3.53289515 3.53289515 3.53289515 1 [/CIF]
HSe
F-43m
216
cubic
-43m
5,081.788005
false
[CIF] data_LaNbBr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.85218217 _cell_length_b 5.85218217 _cell_length_c 5.85218217 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaNbBr3 _chemical_formula_sum 'La1 Nb1 Br3' _cell_volume 200.42574652 _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 Nb Nb0 1 0.00000000 0.00000000 0.00000000 1 Br Br1 1 2.92609108 0.00000000 2.92609108 1 Br Br2 1 2.92609108 2.92609108 0.00000000 1 Br Br3 1 0.00000000 2.92609108 2.92609108 1 La La4 1 2.92609108 2.92609108 2.92609108 1 [/CIF]
Br3LaNb
Pm-3m
221
cubic
m-3m
3,906.602756
false
[CIF] data_TlTe2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.09511160 _cell_length_b 4.09511160 _cell_length_c 8.90437628 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlTe2Br _chemical_formula_sum 'Tl1 Te2 Br1' _cell_volume 149.32584756 _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 6.26030340 1 Te Te1 1 2.04755580 2.04755580 0.64750781 1 Te Te2 1 0.00000000 0.00000000 1.55253927 1 Tl Tl3 1 2.04755580 2.04755580 4.89621395 1 [/CIF]
BrTe2Tl
P4mm
99
tetragonal
4mm
5,999.374914
false
[CIF] data_TiAlCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.33819098 _cell_length_b 6.33819098 _cell_length_c 4.31381926 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiAlCu _chemical_formula_sum 'Ti3 Al3 Cu3' _cell_volume 150.08013738 _cell_formula_units_Z 3 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 -2.43378227 4.21543455 2.15690963 1 Al Al1 1 0.73531322 1.27359985 2.15690963 1 Al Al2 1 4.86756455 0.00000000 2.15690963 1 Cu Cu3 1 -1.34405415 2.32797008 0.00000000 1 Cu Cu4 1 1.82504134 3.16106432 0.00000000 1 Cu Cu5 1 2.68810830 0.00000000 0.00000000 1 Ti Ti6 1 3.16909549 1.82967813 2.15690963 1 Ti Ti7 1 0.00000000 3.65935627 2.15690963 1 Ti Ti8 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al3Cu3Ti3
P-62m
189
hexagonal
-6m2
4,593.736558
false
[CIF] data_Pb4WCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.33945213 _cell_length_b 6.33945213 _cell_length_c 6.33945213 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pb4WCl _chemical_formula_sum 'Pb4 W1 Cl1' _cell_volume 180.15245404 _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 Pb Pb1 1 5.59499118 5.59499118 3.37034800 1 Pb Pb2 1 5.59499118 3.37034800 5.59499118 1 Pb Pb3 1 3.37034800 5.59499118 5.59499118 1 Pb Pb4 1 3.37034800 3.37034800 3.37034800 1 W W5 1 6.72400438 6.72400438 6.72400439 1 [/CIF]
ClPb4W
F-43m
216
cubic
-43m
9,660.703104
false
[CIF] data_NbHgSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.97798130 _cell_length_b 9.97798130 _cell_length_c 9.97798130 _cell_angle_alpha 20.02072057 _cell_angle_beta 20.02072057 _cell_angle_gamma 20.02072057 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbHgSe2 _chemical_formula_sum 'Nb1 Hg1 Se2' _cell_volume 101.86382739 _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 14.66238229 1 Nb Nb1 1 0.00000000 0.00000000 0.00000000 1 Se Se2 1 -0.00000000 -0.00000000 21.23458518 1 Se Se3 1 0.00000000 0.00000000 8.09017939 1 [/CIF]
HgNbSe2
R-3m
166
trigonal
-3m
7,358.790195
false
[CIF] data_MgMn2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46303604 _cell_length_b 4.46303604 _cell_length_c 4.46303604 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgMn2Pd _chemical_formula_sum 'Mg1 Mn2 Pd1' _cell_volume 62.86026165 _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 Mg Mg0 1 -0.00000000 -0.00000000 -0.00000000 1 Mn Mn1 1 3.15584305 3.15584305 3.15584305 1 Mn Mn2 1 1.57792153 1.57792153 1.57792153 1 Pd Pd3 1 4.73376458 4.73376457 4.73376458 1 [/CIF]
MgMn2Pd
F-43m
216
cubic
-43m
6,355.804111
false
[CIF] data_Li2VSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.51916075 _cell_length_b 3.51916075 _cell_length_c 4.37136179 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2VSi _chemical_formula_sum 'Li2 V1 Si1' _cell_volume 54.13709680 _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 1.75958038 0.00000000 2.18568089 1 Li Li1 1 0.00000000 1.75958038 2.18568089 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 1.75958038 1.75958038 0.00000000 1 [/CIF]
Li2SiV
P4/mmm
123
tetragonal
4/mmm
2,849.78385
false
[CIF] data_Al2MoW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.74582964 _cell_length_b 4.48660406 _cell_length_c 5.01830072 _cell_angle_alpha 90.00000000 _cell_angle_beta 97.21418316 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2MoW _chemical_formula_sum 'Al2 Mo1 W1' _cell_volume 61.33329639 _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 1.89815789 0.00000000 4.91834612 1 Al Al1 1 2.11892200 2.24330203 1.30323700 1 Mo Mo2 1 0.95672943 0.00000000 2.43618312 1 W W3 1 0.31528406 2.24330203 3.78866893 1 [/CIF]
Al2MoW
Pm
6
monoclinic
m
9,036.309171
false
[CIF] data_MgCdCuTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50733501 _cell_length_b 4.50733501 _cell_length_c 4.50733501 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCdCuTc _chemical_formula_sum 'Mg1 Cd1 Cu1 Tc1' _cell_volume 64.75070736 _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 4.78075072 4.78075073 4.78075073 1 Cu Cu1 1 3.18716715 3.18716715 3.18716715 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 1.59358358 1.59358358 1.59358358 1 [/CIF]
CdCuMgTc
F-43m
216
cubic
-43m
7,672.201645
false
[CIF] data_MnZn2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99824350 _cell_length_b 4.99824350 _cell_length_c 4.99824350 _cell_angle_alpha 138.02364232 _cell_angle_beta 138.02364232 _cell_angle_gamma 60.86679121 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnZn2P _chemical_formula_sum 'Mn1 Zn2 P1' _cell_volume 55.24855541 _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 4.30957838 1 P P1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 1.79024750 -0.00000000 2.15478919 1 Zn Zn3 1 -0.00000000 1.79024750 2.15478919 1 [/CIF]
MnPZn2
I4/mmm
139
tetragonal
4/mmm
6,512.242672
false
[CIF] data_BaLa2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.47941470 _cell_length_b 6.47941470 _cell_length_c 6.47941470 _cell_angle_alpha 136.06358922 _cell_angle_beta 136.06358922 _cell_angle_gamma 63.88204062 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLa2Se _chemical_formula_sum 'Ba1 La2 Se1' _cell_volume 129.21821364 _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 2.42389735 -0.00000000 2.74919344 1 La La1 1 0.00000000 -0.00000000 5.49838687 1 La La2 1 0.00000000 2.42389735 2.74919344 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaLa2Se
I-4m2
119
tetragonal
-42m
6,349.483629
false
[CIF] data_Hf2OsRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.64795981 _cell_length_b 3.64795981 _cell_length_c 5.60572057 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2OsRh _chemical_formula_sum 'Hf2 Os1 Rh1' _cell_volume 74.59874746 _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 1.82397991 1.82397991 5.34047239 1 Hf Hf1 1 0.00000000 0.00000000 1.69722232 1 Os Os2 1 1.82397991 1.82397991 2.47503399 1 Rh Rh3 1 0.00000000 0.00000000 4.50157272 1 [/CIF]
Hf2OsRh
P4mm
99
tetragonal
4mm
14,471.317848
false
[CIF] data_LiCaYRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91809607 _cell_length_b 4.91809607 _cell_length_c 4.91809607 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCaYRu _chemical_formula_sum 'Li1 Ca1 Y1 Ru1' _cell_volume 84.11549898 _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 3.47761908 3.47761908 3.47761908 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 5.21642862 5.21642862 5.21642862 1 Y Y3 1 1.73880954 1.73880954 1.73880954 1 [/CIF]
CaLiRuY
F-43m
216
cubic
-43m
4,678.5576
false
[CIF] data_NbFe2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.88442109 _cell_length_b 2.88442109 _cell_length_c 6.84140156 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbFe2Pd _chemical_formula_sum 'Nb1 Fe2 Pd1' _cell_volume 56.91967439 _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 Fe Fe0 1 0.00000000 0.00000000 0.17845447 1 Fe Fe1 1 1.44221055 1.44221055 1.52873410 1 Nb Nb2 1 0.00000000 0.00000000 3.25186833 1 Pd Pd3 1 1.44221055 1.44221055 5.30304551 1 [/CIF]
Fe2NbPd
P4mm
99
tetragonal
4mm
9,073.397818
false
[CIF] data_ScCoP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32312983 _cell_length_b 4.32312983 _cell_length_c 4.32312983 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCoP2 _chemical_formula_sum 'Sc1 Co1 P2' _cell_volume 57.13205392 _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 3.05691442 3.05691442 3.05691442 1 P P1 1 1.52845721 1.52845721 1.52845721 1 P P2 1 4.58537163 4.58537163 4.58537163 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CoP2Sc
Fm-3m
225
cubic
m-3m
4,820.029835
false
[CIF] data_SrHf2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22689427 _cell_length_b 4.22689427 _cell_length_c 5.93852614 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrHf2Se _chemical_formula_sum 'Sr1 Hf2 Se1' _cell_volume 106.10147999 _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 2.11344713 0.00000000 2.96926307 1 Hf Hf1 1 0.00000000 2.11344713 2.96926307 1 Se Se2 1 0.00000000 0.00000000 0.00000000 1 Sr Sr3 1 2.11344713 2.11344713 0.00000000 1 [/CIF]
Hf2SeSr
P4/mmm
123
tetragonal
4/mmm
8,193.965191
false
[CIF] data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.82116391 _cell_length_b 7.82116391 _cell_length_c 3.00000000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 147.58856159 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C12 _cell_volume 98.36147824 _cell_formula_units_Z 12 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 0.71923977 -1.90974677 0.00000000 1 C C1 1 3.64632995 1.90974677 0.00000000 1 C C2 1 0.71923977 1.90974677 0.00000000 1 C C3 1 3.64632995 -1.90974677 0.00000000 1 C C4 1 2.89098757 -0.74726545 0.00000000 1 C C5 1 1.47458215 0.74726545 0.00000000 1 C C6 1 1.47458215 -0.74726545 0.00000000 1 C C7 1 2.89098757 0.74726545 0.00000000 1 C C8 1 2.90763275 -3.14244925 0.00000000 1 C C9 1 1.45793697 3.14244925 0.00000000 1 C C10 1 2.90763275 3.14244925 0.00000000 1 C C11 1 1.45793697 -3.14244925 0.00000000 1 [/CIF]
C12
Cmmm
65
orthorhombic
mmm
2,433.176515
false
[CIF] data_VReTcRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35009569 _cell_length_b 4.35009569 _cell_length_c 4.35009569 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VReTcRh _chemical_formula_sum 'V1 Re1 Tc1 Rh1' _cell_volume 58.20783317 _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 Re Re0 1 3.07598216 3.07598216 3.07598216 1 Rh Rh1 1 1.53799108 1.53799108 1.53799108 1 Tc Tc2 1 4.61397324 4.61397324 4.61397324 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
ReRhTcV
F-43m
216
cubic
-43m
12,522.551023
false
[CIF] data_YInIrRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71737092 _cell_length_b 4.71737092 _cell_length_c 4.71737092 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YInIrRh _chemical_formula_sum 'Y1 In1 Ir1 Rh1' _cell_volume 74.23096048 _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 3.33568497 3.33568497 3.33568497 1 Ir Ir1 1 5.00352745 5.00352745 5.00352745 1 Rh Rh2 1 1.66784248 1.66784248 1.66784249 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InIrRhY
F-43m
216
cubic
-43m
11,159.142318
false
[CIF] data_VPW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.01033299 _cell_length_b 4.01033299 _cell_length_c 4.01033299 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VPW _chemical_formula_sum 'V1 P1 W1' _cell_volume 45.60645397 _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 V V1 1 4.25360047 4.25360047 4.25360047 1 W W2 1 1.41786682 1.41786682 1.41786682 1 [/CIF]
PVW
F-43m
216
cubic
-43m
9,676.196159
false
[CIF] data_NaLiY3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.68282727 _cell_length_b 5.68282727 _cell_length_c 5.68282727 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLiY3 _chemical_formula_sum 'Na1 Li1 Y3' _cell_volume 183.52421178 _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 Y Y0 1 2.84141363 0.00000000 2.84141363 1 Y Y1 1 2.84141363 2.84141363 0.00000000 1 Y Y2 1 0.00000000 2.84141363 2.84141363 1 Na Na3 1 2.84141363 2.84141363 2.84141363 1 Li Li4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
LiNaY3
Pm-3m
221
cubic
m-3m
2,684.093387
false
[CIF] data_TaBi2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.47144573 _cell_length_b 5.47144573 _cell_length_c 5.47144573 _cell_angle_alpha 128.48195338 _cell_angle_beta 128.48195338 _cell_angle_gamma 75.84557311 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaBi2Cl _chemical_formula_sum 'Ta1 Bi2 Cl1' _cell_volume 97.61323598 _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 2.37781973 2.15804686 1 Bi Bi1 1 2.37781973 0.00000000 2.15804686 1 Cl Cl2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 0.00000000 0.00000000 4.31609372 1 [/CIF]
Bi2ClTa
I4/mmm
139
tetragonal
4/mmm
10,791.388497
false
[CIF] data_YTaAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68193097 _cell_length_b 4.68193097 _cell_length_c 4.68193097 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTaAu _chemical_formula_sum 'Y1 Ta1 Au1' _cell_volume 72.57048434 _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 3.31062514 3.31062514 3.31062514 1 Ta Ta1 1 1.65531257 1.65531257 1.65531257 1 Y Y2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuTaY
F-43m
216
cubic
-43m
10,681.661431
false
[CIF] data_HfGaW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93335751 _cell_length_b 2.93335751 _cell_length_c 7.19254852 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfGaW _chemical_formula_sum 'Hf1 Ga1 W1' _cell_volume 53.59736320 _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 7.11292320 1 Hf Hf1 1 0.00000000 1.69357475 2.35997126 1 W W2 1 1.46667875 0.84678737 4.91220258 1 [/CIF]
GaHfW
P3m1
156
trigonal
3m
13,385.749661
false
[CIF] data_MnBe2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.07164821 _cell_length_b 3.07164821 _cell_length_c 5.86263039 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnBe2Pb _chemical_formula_sum 'Mn1 Be2 Pb1' _cell_volume 55.31405096 _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 0.43669168 1 Be Be1 1 1.53582411 1.53582411 1.48766298 1 Mn Mn2 1 0.00000000 0.00000000 2.51620784 1 Pb Pb3 1 1.53582411 1.53582411 4.35338314 1 [/CIF]
Be2MnPb
P4mm
99
tetragonal
4mm
8,410.532533
false
[CIF] data_KRb2Eu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.42435392 _cell_length_b 7.42435392 _cell_length_c 7.42435392 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KRb2Eu _chemical_formula_sum 'K1 Rb2 Eu1' _cell_volume 289.37499525 _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 5.24981100 5.24981100 5.24981100 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Rb Rb2 1 2.62490550 2.62490550 2.62490550 1 Rb Rb3 1 7.87471650 7.87471650 7.87471650 1 [/CIF]
EuKRb2
Fm-3m
225
cubic
m-3m
2,077.275732
false
[CIF] data_Mn2CoCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.70717630 _cell_length_b 2.70717630 _cell_length_c 6.53119738 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2CoCl _chemical_formula_sum 'Mn2 Co1 Cl1' _cell_volume 47.86586234 _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 3.19646825 1 Co Co1 1 1.35358815 1.35358815 5.02967745 1 Mn Mn2 1 0.00000000 0.00000000 0.05051737 1 Mn Mn3 1 1.35358815 1.35358815 1.52013299 1 [/CIF]
ClCoMn2
P4mm
99
tetragonal
4mm
7,086.167207
false
[CIF] data_BPtPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15305900 _cell_length_b 3.15305900 _cell_length_c 9.15421832 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BPtPb2 _chemical_formula_sum 'B1 Pt1 Pb2' _cell_volume 91.00923429 _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 0.00000000 0.00000000 5.78061424 1 Pb Pb1 1 1.57652950 1.57652950 8.44938434 1 Pb Pb2 1 0.00000000 0.00000000 3.06650706 1 Pt Pt3 1 1.57652950 1.57652950 5.58904016 1 [/CIF]
BPb2Pt
P4mm
99
tetragonal
4mm
11,317.797456
false
[CIF] data_Zn2RhCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.09190385 _cell_length_b 3.09190385 _cell_length_c 6.92490459 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2RhCl _chemical_formula_sum 'Zn2 Rh1 Cl1' _cell_volume 66.20118361 _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 Rh Rh1 1 0.00000000 0.00000000 3.46245229 1 Zn Zn2 1 1.54595193 1.54595193 4.91066583 1 Zn Zn3 1 1.54595193 1.54595193 2.01423876 1 [/CIF]
ClRhZn2
P4/mmm
123
tetragonal
4/mmm
6,750.421508
false
[CIF] data_Ge2BiCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94352982 _cell_length_b 5.24801152 _cell_length_c 5.41304239 _cell_angle_alpha 90.00000000 _cell_angle_beta 108.56924331 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ge2BiCl _chemical_formula_sum 'Ge2 Bi1 Cl1' _cell_volume 106.19448262 _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 1.10987189 0.00000000 2.56561833 1 Cl Cl1 1 0.00000000 0.00000000 0.00000000 1 Ge Ge2 1 2.19845505 2.62400576 1.59198172 1 Ge Ge3 1 0.02128873 2.62400576 3.53925493 1 [/CIF]
BiClGe2
P2/m
10
monoclinic
2/m
6,093.860147
false
[CIF] data_Sc2AlAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40422060 _cell_length_b 3.40422060 _cell_length_c 6.97725329 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2AlAs _chemical_formula_sum 'Sc2 Al1 As1' _cell_volume 80.85742005 _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 3.76855991 1 As As1 1 1.70211030 1.70211030 4.99372589 1 Sc Sc2 1 0.00000000 0.00000000 6.71881269 1 Sc Sc3 1 1.70211030 1.70211030 1.96203467 1 [/CIF]
AlAsSc2
P4mm
99
tetragonal
4mm
3,939.233267
false
[CIF] data_La2MgTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15572767 _cell_length_b 5.15572767 _cell_length_c 3.88288314 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2MgTc _chemical_formula_sum 'La2 Mg1 Tc1' _cell_volume 103.21296616 _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 La La0 1 2.57786384 0.00000000 1.94144157 1 La La1 1 0.00000000 2.57786384 1.94144157 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 2.57786384 2.57786384 0.00000000 1 [/CIF]
La2MgTc
P4/mmm
123
tetragonal
4/mmm
6,451.834056
false
[CIF] data_MgTaFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24453258 _cell_length_b 4.24453258 _cell_length_c 3.04549293 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTaFe2 _chemical_formula_sum 'Mg1 Ta1 Fe2' _cell_volume 54.86777368 _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 Fe Fe0 1 2.12226629 0.00000000 1.52274647 1 Fe Fe1 1 0.00000000 2.12226629 1.52274647 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 2.12226629 2.12226629 0.00000000 1 [/CIF]
Fe2MgTa
P4/mmm
123
tetragonal
4/mmm
9,592.079263
false
[CIF] data_AlFe2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.08565410 _cell_length_b 4.08565410 _cell_length_c 4.08565410 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlFe2Si _chemical_formula_sum 'Al1 Fe2 Si1' _cell_volume 48.22472825 _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 Fe Fe1 1 2.88899372 2.88899372 2.88899372 1 Fe Fe2 1 1.44449686 1.44449686 1.44449686 1 Si Si3 1 4.33349058 4.33349058 4.33349058 1 [/CIF]
AlFe2Si
F-43m
216
cubic
-43m
5,742.00389
false
[CIF] data_ZrCrHgPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72757494 _cell_length_b 4.72757494 _cell_length_c 4.72757494 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCrHgPt _chemical_formula_sum 'Zr1 Cr1 Hg1 Pt1' _cell_volume 74.71370414 _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 Hg Hg1 1 1.67145015 1.67145015 1.67145015 1 Pt Pt2 1 5.01435045 5.01435045 5.01435045 1 Zr Zr3 1 3.34290030 3.34290030 3.34290030 1 [/CIF]
CrHgPtZr
F-43m
216
cubic
-43m
11,977.116061
false
[CIF] data_LiTmCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31628064 _cell_length_b 4.31628064 _cell_length_c 4.31628064 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTmCo2 _chemical_formula_sum 'Li1 Tm1 Co2' _cell_volume 56.86093887 _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 1.52603566 1.52603566 1.52603566 1 Co Co1 1 4.57810697 4.57810697 4.57810697 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Tm Tm3 1 3.05207131 3.05207131 3.05207131 1 [/CIF]
Co2LiTm
Fm-3m
225
cubic
m-3m
8,578.286114
false
[CIF] data_Y2CrHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.69249636 _cell_length_b 5.69249636 _cell_length_c 5.69249636 _cell_angle_alpha 135.04690056 _cell_angle_beta 135.04690056 _cell_angle_gamma 65.45733534 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2CrHg _chemical_formula_sum 'Y2 Cr1 Hg1' _cell_volume 90.72123459 _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 Hg Hg1 1 2.17627136 0.00000000 2.39437887 1 Y Y2 1 0.00000000 -0.00000000 4.78875774 1 Y Y3 1 0.00000000 2.17627136 2.39437887 1 [/CIF]
CrHgY2
I-4m2
119
tetragonal
-42m
7,877.895008
false
[CIF] data_SiAs5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54132770 _cell_length_b 5.54132770 _cell_length_c 5.54132770 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiAs5 _chemical_formula_sum 'Si1 As5' _cell_volume 120.31686380 _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 1.95915520 1.95915520 1.95915520 1 As As1 1 4.89329703 4.89329703 4.89329703 1 As As2 1 2.94332375 4.89329703 2.94332375 1 As As3 1 2.94332375 2.94332375 4.89329703 1 As As4 1 4.89329703 2.94332375 2.94332375 1 Si Si5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As5Si
F-43m
216
cubic
-43m
5,557.727051
false
[CIF] data_NaBi2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10251044 _cell_length_b 5.10251044 _cell_length_c 5.10251044 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaBi2Ir _chemical_formula_sum 'Na1 Bi2 Ir1' _cell_volume 93.93700446 _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 1.80400987 1.80400987 1.80400986 1 Bi Bi1 1 3.60801973 3.60801973 3.60801973 1 Ir Ir2 1 5.41202959 5.41202960 5.41202959 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Bi2IrNa
F-43m
216
cubic
-43m
11,192.601792
false
[CIF] data_Zr2AsRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22906656 _cell_length_b 3.22906656 _cell_length_c 7.16562632 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2AsRu _chemical_formula_sum 'Zr2 As1 Ru1' _cell_volume 74.71506019 _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 3.82937813 1 Ru Ru1 1 1.61453328 1.61453328 5.22723956 1 Zr Zr2 1 0.00000000 0.00000000 6.90040399 1 Zr Zr3 1 1.61453328 1.61453328 1.95704412 1 [/CIF]
AsRuZr2
P4mm
99
tetragonal
4mm
7,966.305017
false
[CIF] data_NaMnCd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06539489 _cell_length_b 5.06539489 _cell_length_c 3.21022970 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaMnCd2 _chemical_formula_sum 'Na1 Mn1 Cd2' _cell_volume 82.36879720 _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 0.00000000 2.53269745 1.60511485 1 Cd Cd1 1 2.53269745 0.00000000 1.60511485 1 Mn Mn2 1 2.53269745 2.53269745 0.00000000 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cd2MnNa
P4/mmm
123
tetragonal
4/mmm
6,103.37787
false
[CIF] data_BiC4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64702827 _cell_length_b 4.64702827 _cell_length_c 4.64702827 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiC4 _chemical_formula_sum 'Bi1 C4' _cell_volume 77.25098959 _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 0.00000000 1 C C1 1 1.34148151 1.34148151 1.34148151 1 C C2 1 -1.34148151 1.34148151 1.34148151 1 C C3 1 1.34148151 1.34148151 -1.34148151 1 C C4 1 1.34148151 -1.34148151 1.34148151 1 [/CIF]
C4Bi
Im-3m
229
cubic
m-3m
5,524.810321
false
[CIF] data_ScBeVMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38602206 _cell_length_b 4.38602206 _cell_length_c 4.38602206 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScBeVMo _chemical_formula_sum 'Sc1 Be1 V1 Mo1' _cell_volume 59.66194903 _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 Mo Mo1 1 3.10138594 3.10138594 3.10138594 1 Sc Sc2 1 4.65207891 4.65207891 4.65207891 1 V V3 1 1.55069297 1.55069297 1.55069297 1 [/CIF]
BeMoScV
F-43m
216
cubic
-43m
5,590.695804
false
[CIF] data_Na5LiMn2P2(CO7)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.76709300 _cell_length_b 8.98679040 _cell_length_c 10.37496038 _cell_angle_alpha 90.03479200 _cell_angle_beta 90.30921765 _cell_angle_gamma 90.60945083 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na5LiMn2P2(CO7)2 _chemical_formula_sum 'Na10 Li2 Mn4 P4 C4 O28' _cell_volume 630.90245091 _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 Na Na0 1 1.52468793 8.23159844 9.13565043 1 Na Na1 1 1.56839649 8.23938676 3.93481155 1 Na Na2 1 -0.09769828 6.66264141 6.46797630 1 Na Na3 1 3.26931768 6.65492310 6.46661720 1 Na Na4 1 3.29468727 6.66490908 1.28527259 1 Na Na5 1 3.32082373 2.31447692 9.08953441 1 Na Na6 1 3.34619332 2.32446290 3.90818980 1 Na Na7 1 6.71320928 2.31674459 3.90683070 1 Na Na8 1 5.04711451 0.73999924 6.43999545 1 Na Na9 1 5.09082307 0.74778756 1.23915657 1 Li Li10 1 -0.01258176 6.57214820 1.25145072 1 Li Li11 1 6.62809276 2.40723780 9.12335628 1 Mn Mn12 1 4.97621977 5.73274293 9.23650393 1 Mn Mn13 1 4.99864298 5.73344477 4.03010415 1 Mn Mn14 1 1.61686802 3.24594123 6.34470285 1 Mn Mn15 1 1.63929123 3.24664307 1.13830307 1 P P16 1 1.56071525 5.25864725 8.84054942 1 P P17 1 1.59468838 5.29987362 3.62603655 1 P P18 1 5.02082262 3.67951238 6.74877045 1 P P19 1 5.05479575 3.72073875 1.53425758 1 C C20 1 4.98326176 8.47372443 9.01457643 1 C C21 1 4.97509411 8.43806970 3.80527171 1 C C22 1 1.64041689 0.54131630 6.56953529 1 C C23 1 1.63224924 0.50566157 1.36023057 1 O O24 1 1.58012975 8.23536756 6.68278668 1 O O25 1 1.48039512 8.19321557 1.46024371 1 O O26 1 4.94721035 7.89965096 10.18148285 1 O O27 1 4.97290116 7.88353317 4.98456565 1 O O28 1 4.95840150 7.72746057 7.94361623 1 O O29 1 5.01086501 7.68259826 2.74278773 1 O O30 1 0.34178046 6.11388039 9.30067211 1 O O31 1 2.82807791 6.04374239 9.28724711 1 O O32 1 0.36132733 6.11793996 4.09899287 1 O O33 1 2.85193250 6.12335792 4.03255261 1 O O34 1 1.56991214 5.14198009 7.28317676 1 O O35 1 4.98573070 5.10034901 6.13045271 1 O O36 1 1.53803778 5.17399068 2.06243901 1 O O37 1 5.11227183 5.16326313 0.95071619 1 O O38 1 1.50323917 3.81612287 9.42409081 1 O O39 1 5.07747322 3.80539532 8.31236799 1 O O40 1 1.62978030 3.87903699 4.24435429 1 O O41 1 5.04559886 3.83740591 3.09163024 1 O O42 1 3.76357850 2.85602808 6.34225439 1 O O43 1 6.25418367 2.86144604 6.27581413 1 O O44 1 3.78743309 2.93564361 1.08755989 1 O O45 1 6.27373054 2.86550561 1.07413489 1 O O46 1 1.60464599 1.29678774 7.63201927 1 O O47 1 1.65710950 1.25192543 2.43119077 1 O O48 1 1.64260984 1.09585283 5.39024135 1 O O49 1 1.66830065 1.07973504 0.19332415 1 O O50 1 5.13511588 0.78617043 8.91456329 1 O O51 1 5.03538125 0.74401844 3.69202032 1 [/CIF]
C4Li2Mn4Na10O28P4
P-1
2
triclinic
-1
2,851.65464
true
[CIF] data_Ba2SrSc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34027311 _cell_length_b 4.34027311 _cell_length_c 10.30990756 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2SrSc _chemical_formula_sum 'Ba2 Sr1 Sc1' _cell_volume 194.21773622 _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 2.17013656 2.17013656 8.17778909 1 Ba Ba1 1 2.17013656 2.17013656 2.13211847 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Sr Sr3 1 0.00000000 0.00000000 5.15495378 1 [/CIF]
Ba2ScSr
P4/mmm
123
tetragonal
4/mmm
3,481.768407
false
[CIF] data_LiMnBe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69240874 _cell_length_b 4.69240874 _cell_length_c 4.69240874 _cell_angle_alpha 150.90574447 _cell_angle_beta 129.44980900 _cell_angle_gamma 59.38791112 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMnBe2 _chemical_formula_sum 'Li1 Mn1 Be2' _cell_volume 38.50170031 _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 0.12492381 1 Be Be1 1 1.17862165 -0.00000000 1.92574910 1 Li Li2 1 -0.00000000 0.00000000 3.93549742 1 Mn Mn3 1 0.00000000 2.00349359 2.16626829 1 [/CIF]
Be2LiMn
Imm2
44
orthorhombic
mm2
3,446.152537
false
[CIF] data_MgBiBr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23530594 _cell_length_b 5.23530594 _cell_length_c 5.23530594 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgBiBr3 _chemical_formula_sum 'Mg1 Bi1 Br3' _cell_volume 143.49150741 _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 Mg Mg0 1 0.00000000 0.00000000 0.00000000 1 Bi Bi1 1 2.61765297 2.61765297 2.61765297 1 Br Br2 1 0.00000000 2.61765297 0.00000000 1 Br Br3 1 0.00000000 0.00000000 2.61765297 1 Br Br4 1 2.61765297 0.00000000 0.00000000 1 [/CIF]
BiBr3Mg
Pm-3m
221
cubic
m-3m
5,473.708342
false
[CIF] data_Tl2ZnBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.03878362 _cell_length_b 6.03878362 _cell_length_c 6.03878362 _cell_angle_alpha 137.01883716 _cell_angle_beta 126.42986155 _cell_angle_gamma 71.00920864 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2ZnBr _chemical_formula_sum 'Tl2 Zn1 Br1' _cell_volume 118.38540613 _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 4.91598563 1 Tl Tl1 1 -0.00000000 2.72134719 2.69062561 1 Tl Tl2 1 2.21229796 -0.00000000 2.22536002 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BrTl2Zn
Immm
71
orthorhombic
mmm
7,771.466035
false
[CIF] data_CaNbAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18495802 _cell_length_b 5.18495802 _cell_length_c 2.99927262 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaNbAu2 _chemical_formula_sum 'Ca1 Nb1 Au2' _cell_volume 80.63181428 _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 2.59247901 0.00000000 1.49963631 1 Au Au1 1 0.00000000 2.59247901 1.49963631 1 Ca Ca2 1 0.00000000 0.00000000 0.00000000 1 Nb Nb3 1 2.59247901 2.59247901 0.00000000 1 [/CIF]
Au2CaNb
P4/mmm
123
tetragonal
4/mmm
10,851.388269
false
[CIF] data_BeVSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00997767 _cell_length_b 4.00997767 _cell_length_c 4.00997767 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeVSe _chemical_formula_sum 'Be1 V1 Se1' _cell_volume 45.59433265 _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 Se Se1 1 4.25322360 4.25322360 4.25322360 1 V V2 1 1.41774120 1.41774120 1.41774120 1 [/CIF]
BeSeV
F-43m
216
cubic
-43m
5,059.216408
false
[CIF] data_Cu2RhPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00899771 _cell_length_b 5.00899771 _cell_length_c 5.00899771 _cell_angle_alpha 134.42682264 _cell_angle_beta 134.42682264 _cell_angle_gamma 66.42210415 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu2RhPb _chemical_formula_sum 'Cu2 Rh1 Pb1' _cell_volume 63.08924656 _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 1.93998378 -0.00000000 2.09541070 1 Cu Cu1 1 0.00000000 1.93998378 2.09541070 1 Pb Pb2 1 0.00000000 -0.00000000 4.19082139 1 Rh Rh3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cu2PbRh
I4/mmm
139
tetragonal
4/mmm
11,507.246767
false
[CIF] data_Fe2PtSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.91669278 _cell_length_b 4.27521520 _cell_length_c 4.71690955 _cell_angle_alpha 90.00000000 _cell_angle_beta 94.88313244 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2PtSe _chemical_formula_sum 'Fe2 Pt1 Se1' _cell_volume 58.60396922 _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 Fe Fe0 1 2.14582169 2.13760760 4.50953261 1 Fe Fe1 1 2.49322123 0.00000000 1.25659186 1 Pt Pt2 1 1.05506400 2.13760760 2.08862949 1 Se Se3 1 0.59382421 0.00000000 3.89471866 1 [/CIF]
Fe2PtSe
Pm
6
monoclinic
m
10,929.743921
false
[CIF] data_YBBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.72287065 _cell_length_b 3.72287065 _cell_length_c 8.91871122 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.83045378 _symmetry_Int_Tables_number 1 _chemical_formula_structural YBBr2 _chemical_formula_sum 'Y1 B1 Br2' _cell_volume 107.23290497 _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 0.00000000 0.00000000 0.00000000 1 Br Br1 1 1.86620357 0.00000000 2.28526555 1 Br Br2 1 1.86620357 0.00000000 6.63344567 1 Y Y3 1 0.00000000 0.00000000 4.45935561 1 [/CIF]
BBr2Y
Cmmm
65
orthorhombic
mmm
4,018.83314
false