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_AgMo2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91276696 _cell_length_b 4.91276696 _cell_length_c 4.91276696 _cell_angle_alpha 130.78901773 _cell_angle_beta 130.78901773 _cell_angle_gamma 72.14850062 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgMo2Au _chemical_formula_sum 'Ag1 Mo2 Au1' _cell_volume 66.45707283 _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 0.00000000 0.00000000 3.97076648 1 Au Au1 1 -0.00000000 2.04551861 1.98538324 1 Mo Mo2 1 0.00000000 0.00000000 0.00000000 1 Mo Mo3 1 2.04551861 0.00000000 1.98538324 1 [/CIF]
AgAuMo2
I-4m2
119
tetragonal
-42m
12,412.23342
false
[CIF] data_Ca4AlFe8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.04955672 _cell_length_b 7.04955672 _cell_length_c 7.04955672 _cell_angle_alpha 117.06092302 _cell_angle_beta 117.06092302 _cell_angle_gamma 95.17078026 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca4AlFe8 _chemical_formula_sum 'Ca4 Al1 Fe8' _cell_volume 257.59506939 _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 Ca Ca1 1 -1.84009356 1.84009356 2.37743010 1 Ca Ca2 1 1.84009356 -1.84009356 2.37743010 1 Ca Ca3 1 1.84009356 1.84009356 2.37743010 1 Ca Ca4 1 1.84009356 1.84009356 -2.37743010 1 Fe Fe5 1 2.51821809 0.00000000 -0.00000000 1 Fe Fe6 1 4.84215615 -0.00000000 0.00000000 1 Fe Fe7 1 -0.00000000 4.84215615 0.00000000 1 Fe Fe8 1 0.00000000 2.51821809 -0.00000000 1 Fe Fe9 1 2.05291267 3.68018712 -0.00000000 1 Fe Fe10 1 1.62727445 0.00000000 4.75486020 1 Fe Fe11 1 -0.00000000 1.62727445 4.75486020 1 Fe Fe12 1 3.68018712 2.05291267 -0.00000000 1 [/CIF]
AlCa4Fe8
I4/mmm
139
tetragonal
4/mmm
4,087.3091
false
[CIF] data_SbAsOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45528686 _cell_length_b 4.45528686 _cell_length_c 4.45528686 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SbAsOs _chemical_formula_sum 'Sb1 As1 Os1' _cell_volume 62.53339645 _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 0.00000000 1 Os Os1 1 1.57518177 1.57518177 1.57518177 1 Sb Sb2 1 4.72554532 4.72554533 4.72554533 1 [/CIF]
AsOsSb
F-43m
216
cubic
-43m
10,274.219275
false
[CIF] data_Sr2InGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.88138946 _cell_length_b 4.06872758 _cell_length_c 7.89533633 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2InGe _chemical_formula_sum 'Sr2 In1 Ge1' _cell_volume 124.68564898 _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 In In1 1 0.00000000 0.00000000 3.94766816 1 Sr Sr2 1 1.94069473 2.03436379 6.07888006 1 Sr Sr3 1 1.94069473 2.03436379 1.81645626 1 [/CIF]
GeInSr2
Pmmm
47
orthorhombic
mmm
4,830.344559
false
[CIF] data_HfCo2Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.41849566 _cell_length_b 3.99287336 _cell_length_c 4.12156874 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCo2Tc _chemical_formula_sum 'Hf1 Co2 Tc1' _cell_volume 56.25784814 _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 0.00000000 1 Co Co1 1 0.00000000 1.99643668 2.06078437 1 Hf Hf2 1 1.70924783 1.99643668 0.00000000 1 Tc Tc3 1 1.70924783 0.00000000 2.06078437 1 [/CIF]
Co2HfTc
Pmmm
47
orthorhombic
mmm
11,666.798392
false
[CIF] data_NaRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28111752 _cell_length_b 5.28111752 _cell_length_c 5.28111752 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaRh2 _chemical_formula_sum 'Na2 Rh4' _cell_volume 104.15077301 _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 0.00000000 0.00000000 0.00000000 1 Na Na1 1 1.86715700 1.86715700 1.86715700 1 Rh Rh2 1 2.80073551 2.80073551 4.66789251 1 Rh Rh3 1 4.66789251 2.80073551 2.80073551 1 Rh Rh4 1 2.80073551 4.66789251 2.80073551 1 Rh Rh5 1 4.66789251 4.66789251 4.66789251 1 [/CIF]
Na2Rh4
Fd-3m
227
cubic
m-3m
7,295.819414
false
[CIF] data_CrIn2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.53765183 _cell_length_b 5.53765183 _cell_length_c 3.30322080 _cell_angle_alpha 93.89248731 _cell_angle_beta 93.89248731 _cell_angle_gamma 101.13204750 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrIn2Br _chemical_formula_sum 'Cr1 In2 Br1' _cell_volume 98.82008655 _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 3.51745348 0.00000000 0.00000000 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 In In2 1 1.58221429 2.13852220 1.64215111 1 In In3 1 1.58221429 -2.13852220 1.64215111 1 [/CIF]
BrCrIn2
C2/m
12
monoclinic
2/m
6,075.12945
false
[CIF] data_HfHg2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.53818924 _cell_length_b 3.53818924 _cell_length_c 6.24157408 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfHg2Pt _chemical_formula_sum 'Hf1 Hg2 Pt1' _cell_volume 78.13691210 _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 0.00000000 1 Hg Hg1 1 1.76909462 1.76909462 1.64868352 1 Hg Hg2 1 1.76909462 1.76909462 4.59289056 1 Pt Pt3 1 0.00000000 0.00000000 3.12078704 1 [/CIF]
HfHg2Pt
P4/mmm
123
tetragonal
4/mmm
16,464.808366
false
[CIF] data_Tl(FeB)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90283168 _cell_length_b 4.90283168 _cell_length_c 4.90283168 _cell_angle_alpha 136.62672483 _cell_angle_beta 136.62672483 _cell_angle_gamma 63.01288273 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl(FeB)2 _chemical_formula_sum 'Tl1 Fe2 B2' _cell_volume 54.88281057 _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 5.13583230 1 B B1 1 0.00000000 -0.00000000 3.22429408 1 Fe Fe2 1 0.00000000 1.81174367 2.09003160 1 Fe Fe3 1 1.81174367 0.00000000 2.09003159 1 Tl Tl4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
B2Fe2Tl
I4/mmm
139
tetragonal
4/mmm
10,217.338224
false
[CIF] data_LaSb2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43422193 _cell_length_b 4.87059508 _cell_length_c 5.06894478 _cell_angle_alpha 90.00000000 _cell_angle_beta 97.85586210 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaSb2Ru _chemical_formula_sum 'La1 Sb2 Ru1' _cell_volume 108.44809628 _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 1.75131626 2.43529754 2.51887505 1 Ru Ru1 1 -0.04525301 0.00000000 3.86541607 1 Sb Sb2 1 -0.49557745 2.43529754 4.79116277 1 Sb Sb3 1 3.70877010 0.00000000 1.37797858 1 [/CIF]
LaRuSb2
Pm
6
monoclinic
m
7,403.201569
false
[CIF] data_MgAlSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90846348 _cell_length_b 4.90846348 _cell_length_c 4.90846348 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgAlSe2 _chemical_formula_sum 'Mg1 Al1 Se2' _cell_volume 83.62222014 _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 5.20621172 5.20621172 5.20621172 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Se Se2 1 1.73540391 1.73540391 1.73540391 1 Se Se3 1 3.47080781 3.47080781 3.47080781 1 [/CIF]
AlMgSe2
F-43m
216
cubic
-43m
4,154.345935
false
[CIF] data_HfZrTaNbMoC5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.55646452 _cell_length_b 5.55646452 _cell_length_c 7.86122136 _cell_angle_alpha 117.98233719 _cell_angle_beta 117.98233719 _cell_angle_gamma 33.45389517 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZrTaNbMoC5 _chemical_formula_sum 'Hf1 Zr1 Ta1 Nb1 Mo1 C5' _cell_volume 116.63961817 _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 1.01802565 0.00000000 2.05087864 1 C C1 1 2.87408183 -0.00000000 6.19711695 1 C C2 1 8.66975527 0.00000000 3.37103537 1 C C3 1 3.86136497 -0.00000000 0.70911630 1 C C4 1 5.87771270 -0.00000000 4.80396373 1 Hf Hf5 1 4.87111516 -0.00000000 2.75106397 1 Mo Mo6 1 1.96159688 0.00000000 4.16398795 1 Nb Nb7 1 6.77124607 -0.00000000 6.82019693 1 Ta Ta8 1 7.73783360 -0.00000000 1.36457327 1 Zr Zr9 1 -0.96941924 -0.00000000 5.46019359 1 [/CIF]
C5HfMoNbTaZr
Cm
8
monoclinic
m
9,959.590583
false
[CIF] data_SrYMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.35300399 _cell_length_b 3.35300399 _cell_length_c 9.06191303 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrYMo2 _chemical_formula_sum 'Sr1 Y1 Mo2' _cell_volume 101.87978746 _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 0.00000000 0.00000000 0.39667962 1 Mo Mo1 1 1.67650199 1.67650199 1.63151878 1 Sr Sr2 1 0.00000000 0.00000000 4.04884879 1 Y Y3 1 1.67650199 1.67650199 7.51582235 1 [/CIF]
Mo2SrY
P4mm
99
tetragonal
4mm
6,005.300395
false
[CIF] data_CoRh3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61611219 _cell_length_b 4.61611219 _cell_length_c 4.61611219 _cell_angle_alpha 131.50911174 _cell_angle_beta 131.50911174 _cell_angle_gamma 71.00544531 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoRh3 _chemical_formula_sum 'Co1 Rh3' _cell_volume 54.01275226 _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 0.00000000 1 Rh Rh1 1 0.00000000 1.89558963 1.87896059 1 Rh Rh2 1 0.00000000 0.00000000 3.75792118 1 Rh Rh3 1 1.89558963 -0.00000000 1.87896059 1 [/CIF]
CoRh3
I4/mmm
139
tetragonal
4/mmm
11,302.829142
false
[CIF] data_CrTcSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21817148 _cell_length_b 5.21817148 _cell_length_c 3.08410518 _cell_angle_alpha 104.26112793 _cell_angle_beta 104.26112793 _cell_angle_gamma 109.30232635 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrTcSn2 _chemical_formula_sum 'Cr1 Tc1 Sn2' _cell_volume 71.71392502 _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 Sn Sn1 1 0.85290550 2.12808708 1.39528385 1 Sn Sn2 1 0.85290550 -2.12808708 1.39528385 1 Tc Tc3 1 3.01898908 0.00000000 0.00000000 1 [/CIF]
CrSn2Tc
C2/m
12
monoclinic
2/m
8,991.619821
false
[CIF] data_TlIrAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11325529 _cell_length_b 5.08004560 _cell_length_c 4.76788120 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.19565881 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlIrAu2 _chemical_formula_sum 'Tl1 Ir1 Au2' _cell_volume 75.38990586 _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 2.33555712 2.54002280 1.14994012 1 Au Au1 1 0.67820838 2.54002280 3.61690296 1 Ir Ir2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 1.50688275 0.00000000 2.38342154 1 [/CIF]
Au2IrTl
P2/m
10
monoclinic
2/m
17,412.299993
false
[CIF] data_AlInCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24131080 _cell_length_b 4.24131080 _cell_length_c 4.24131080 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlInCo2 _chemical_formula_sum 'Al1 In1 Co2' _cell_volume 53.94923594 _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 Co Co1 1 1.49952981 1.49952981 1.49952982 1 Co Co2 1 4.49858944 4.49858944 4.49858945 1 In In3 1 2.99905963 2.99905963 2.99905963 1 [/CIF]
AlCo2In
Fm-3m
225
cubic
m-3m
7,992.428646
false
[CIF] data_SmAuO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48250095 _cell_length_b 4.48250095 _cell_length_c 4.48250095 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmAuO3 _chemical_formula_sum 'Sm1 Au1 O3' _cell_volume 90.06606128 _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 2.24125048 2.24125048 2.24125048 1 O O1 1 0.00000000 0.00000000 2.24125048 1 O O2 1 0.00000000 2.24125048 0.00000000 1 O O3 1 2.24125048 0.00000000 0.00000000 1 Sm Sm4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuO3Sm
Pm-3m
221
cubic
m-3m
7,288.563679
false
[CIF] data_HfBe2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.72043271 _cell_length_b 3.85511986 _cell_length_c 3.90920459 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfBe2Pt _chemical_formula_sum 'Hf1 Be2 Pt1' _cell_volume 56.06860351 _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 Be Be1 1 1.86021636 0.00000000 1.95460230 1 Hf Hf2 1 1.86021636 1.92755993 0.00000000 1 Pt Pt3 1 0.00000000 1.92755993 1.95460230 1 [/CIF]
Be2HfPt
Pmmm
47
orthorhombic
mmm
11,597.656105
false
[CIF] data_TaReSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.17343909 _cell_length_b 3.17343909 _cell_length_c 6.35584987 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaReSe2 _chemical_formula_sum 'Ta1 Re1 Se2' _cell_volume 64.00795660 _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 0.00000000 0.00000000 3.17792494 1 Se Se1 1 1.58671954 1.58671954 4.77832291 1 Se Se2 1 1.58671954 1.58671954 1.57752696 1 Ta Ta3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
ReSe2Ta
P4/mmm
123
tetragonal
4/mmm
13,621.881754
false
[CIF] data_Ba2Zr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.79253714 _cell_length_b 11.79253714 _cell_length_c 11.79253714 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2Zr _chemical_formula_sum 'Ba16 Zr8' _cell_volume 1159.59613841 _cell_formula_units_Z 8 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 2.08464574 6.25393723 6.25393723 1 Ba Ba1 1 6.25393724 2.08464574 6.25393724 1 Ba Ba2 1 2.08464575 2.08464574 2.08464574 1 Ba Ba3 1 6.25393723 6.25393723 2.08464574 1 Ba Ba4 1 12.50787447 12.50787447 9.21393107 1 Ba Ba5 1 15.80181787 12.50787447 12.50787447 1 Ba Ba6 1 12.50787447 15.80181787 12.50787447 1 Ba Ba7 1 12.50787447 9.21393107 12.50787447 1 Ba Ba8 1 9.21393107 12.50787447 12.50787447 1 Ba Ba9 1 12.50787447 12.50787447 15.80181787 1 Ba Ba10 1 8.33858298 8.33858298 11.63252638 1 Ba Ba11 1 5.04463958 8.33858298 8.33858298 1 Ba Ba12 1 8.33858298 5.04463958 8.33858298 1 Ba Ba13 1 8.33858298 11.63252638 8.33858298 1 Ba Ba14 1 11.63252638 8.33858298 8.33858298 1 Ba Ba15 1 8.33858298 8.33858298 5.04463958 1 Zr Zr16 1 3.12583179 3.12583179 5.21275119 1 Zr Zr17 1 5.21275119 5.21275119 5.21275119 1 Zr Zr18 1 3.12583179 5.21275119 3.12583179 1 Zr Zr19 1 5.21275119 3.12583179 3.12583179 1 Zr Zr20 1 9.38204268 9.38204268 15.63370626 1 Zr Zr21 1 15.63370626 15.63370626 15.63370626 1 Zr Zr22 1 9.38204268 15.63370626 9.38204268 1 Zr Zr23 1 15.63370626 9.38204268 9.38204268 1 [/CIF]
Ba16Zr8
Fd-3m
227
cubic
m-3m
4,191.491796
false
[CIF] data_Sb3Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.61834260 _cell_length_b 7.61834260 _cell_length_c 5.02156091 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 135.01650722 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sb3Mo _chemical_formula_sum 'Sb6 Mo2' _cell_volume 206.02483585 _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 Mo Mo0 1 2.91439956 0.26733287 3.76617068 1 Mo Mo1 1 2.91439956 -0.26733287 1.25539023 1 Sb Sb2 1 2.91439956 -6.20484290 1.25539023 1 Sb Sb3 1 2.91439956 6.20484290 3.76617068 1 Sb Sb4 1 4.39198994 -2.61764933 1.25539023 1 Sb Sb5 1 1.43680918 2.61764933 3.76617068 1 Sb Sb6 1 1.43680918 -2.61764933 1.25539023 1 Sb Sb7 1 4.39198994 2.61764933 3.76617068 1 [/CIF]
Mo2Sb6
Cmcm
63
orthorhombic
mmm
7,435.094278
false
[CIF] data_SiSnW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.04387077 _cell_length_b 4.59518797 _cell_length_c 5.17773596 _cell_angle_alpha 90.00000000 _cell_angle_beta 106.76415566 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiSnW2 _chemical_formula_sum 'Si1 Sn1 W2' _cell_volume 69.34389503 _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 1.32733670 0.00000000 2.37214004 1 Sn Sn1 1 -0.17236922 2.29759398 3.58244602 1 W W2 1 2.84183699 0.00000000 0.22950215 1 W W3 1 1.37272882 2.29759398 1.25243607 1 [/CIF]
SiSnW2
Pm
6
monoclinic
m
12,319.854057
false
[CIF] data_NaPdCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79248483 _cell_length_b 4.79248483 _cell_length_c 4.79248483 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaPdCl2 _chemical_formula_sum 'Na1 Pd1 Cl2' _cell_volume 77.83362219 _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 1.69439926 1.69439926 1.69439926 1 Cl Cl1 1 5.08319778 5.08319778 5.08319778 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 3.38879852 3.38879852 3.38879852 1 [/CIF]
Cl2NaPd
Fm-3m
225
cubic
m-3m
4,273.630742
false
[CIF] data_TaCu2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.39736623 _cell_length_b 3.39736623 _cell_length_c 5.83397009 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaCu2Te _chemical_formula_sum 'Ta1 Cu2 Te1' _cell_volume 67.33625043 _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 1.69868311 1.69868311 0.22752565 1 Cu Cu1 1 0.00000000 0.00000000 1.29048066 1 Ta Ta2 1 1.69868311 1.69868311 2.88192709 1 Te Te3 1 0.00000000 0.00000000 4.35102174 1 [/CIF]
Cu2TaTe
P4mm
99
tetragonal
4mm
10,743.300731
false
[CIF] data_SiPd2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.87387909 _cell_length_b 2.87387909 _cell_length_c 6.93020082 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiPd2Rh _chemical_formula_sum 'Si1 Pd2 Rh1' _cell_volume 57.23778310 _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 1.43693955 1.43693955 1.48521660 1 Pd Pd1 1 1.43693955 1.43693955 5.44498422 1 Rh Rh2 1 0.00000000 0.00000000 3.46510041 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Pd2RhSi
P4/mmm
123
tetragonal
4/mmm
9,974.963684
false
[CIF] data_K2LaCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55811930 _cell_length_b 4.55811930 _cell_length_c 6.63993939 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2LaCr _chemical_formula_sum 'K2 La1 Cr1' _cell_volume 137.95437905 _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 K K1 1 0.00000000 2.27905965 3.31996970 1 K K2 1 2.27905965 0.00000000 3.31996970 1 La La3 1 2.27905965 2.27905965 0.00000000 1 [/CIF]
CrK2La
P4/mmm
123
tetragonal
4/mmm
3,239.099963
false
[CIF] data_Cr2RePb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.89536459 _cell_length_b 3.90956551 _cell_length_c 5.71206524 _cell_angle_alpha 90.00000000 _cell_angle_beta 94.53740592 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2RePb _chemical_formula_sum 'Cr2 Re1 Pb1' _cell_volume 64.45574796 _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 0.14841888 1.95478276 0.00046521 1 Cr Cr1 1 1.05711023 0.00000000 1.12389614 1 Pb Pb2 1 2.63098129 1.95478276 2.79176154 1 Re Re3 1 1.27639719 0.00000000 4.62512163 1 [/CIF]
Cr2PbRe
Pm
6
monoclinic
m
12,814.230375
false
[CIF] data_Sm2LuPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48852243 _cell_length_b 5.48852243 _cell_length_c 5.48852243 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm2LuPb _chemical_formula_sum 'Sm2 Lu1 Pb1' _cell_volume 116.90991193 _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 Lu Lu0 1 0.00000000 0.00000000 0.00000000 1 Pb Pb1 1 3.88097143 3.88097143 3.88097143 1 Sm Sm2 1 5.82145715 5.82145715 5.82145715 1 Sm Sm3 1 1.94048572 1.94048572 1.94048572 1 [/CIF]
LuPbSm2
Fm-3m
225
cubic
m-3m
9,699.436008
false
[CIF] data_ZnIrBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42618576 _cell_length_b 4.42618576 _cell_length_c 3.05520872 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnIrBr _chemical_formula_sum 'Zn1 Ir1 Br1' _cell_volume 51.83591748 _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 2.21309290 1.27772976 1.52760436 1 Ir Ir1 1 0.00000002 2.55545953 1.52760436 1 Zn Zn2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BrIrZn
P-6m2
187
hexagonal
-6m2
10,811.684691
false
[CIF] data_VZn2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60205234 _cell_length_b 4.60205234 _cell_length_c 4.79881655 _cell_angle_alpha 100.36856151 _cell_angle_beta 100.36856151 _cell_angle_gamma 34.01956565 _symmetry_Int_Tables_number 1 _chemical_formula_structural VZn2Cu _chemical_formula_sum 'V1 Zn2 Cu1' _cell_volume 55.84533587 _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 3.94913532 -0.00000000 2.35652669 1 V V1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 1.47457442 0.00000000 3.50755122 1 Zn Zn3 1 6.42369621 0.00000000 1.20550215 1 [/CIF]
CuVZn2
C2/m
12
monoclinic
2/m
7,292.337818
false
[CIF] data_ZrIrF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30897050 _cell_length_b 4.30897050 _cell_length_c 4.30897050 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrIrF3 _chemical_formula_sum 'Zr1 Ir1 F3' _cell_volume 80.00563242 _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 2.15448525 2.15448525 2.15448525 1 Zr Zr1 1 0.00000000 0.00000000 0.00000000 1 F F2 1 2.15448525 0.00000000 2.15448525 1 F F3 1 2.15448525 2.15448525 0.00000000 1 F F4 1 0.00000000 2.15448525 2.15448525 1 [/CIF]
F3IrZr
Pm-3m
221
cubic
m-3m
7,065.847849
false
[CIF] data_Hf2FeSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61982905 _cell_length_b 4.61982905 _cell_length_c 4.61982905 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2FeSe _chemical_formula_sum 'Hf2 Fe1 Se1' _cell_volume 69.72085732 _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 0.00000000 1 Hf Hf1 1 1.63335623 1.63335623 1.63335623 1 Hf Hf2 1 4.90006868 4.90006868 4.90006868 1 Se Se3 1 3.26671245 3.26671245 3.26671245 1 [/CIF]
FeHf2Se
Fm-3m
225
cubic
m-3m
11,712.82506
false
[CIF] data_ScMo2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.87337600 _cell_length_b 2.87337600 _cell_length_c 8.14733965 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.06129309 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScMo2Os _chemical_formula_sum 'Sc1 Mo2 Os1' _cell_volume 67.25525644 _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 2.01287936 0.00000000 2.26207659 1 Mo Mo1 1 2.01287936 0.00000000 5.88526306 1 Os Os2 1 0.00000000 0.00000000 4.07366982 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mo2OsSc
Cmmm
65
orthorhombic
mmm
10,545.288056
false
[CIF] data_NaTl2Cr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.14243955 _cell_length_b 3.14243955 _cell_length_c 10.27252426 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 110.52527958 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTl2Cr _chemical_formula_sum 'Na1 Tl2 Cr1' _cell_volume 95.00073741 _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 1.79061073 0.00000000 5.22857987 1 Na Na1 1 0.00000000 0.00000000 2.62714867 1 Tl Tl2 1 1.79061073 0.00000000 10.26957605 1 Tl Tl3 1 0.00000000 0.00000000 7.55600597 1 [/CIF]
CrNaTl2
Cmm2
35
orthorhombic
mm2
8,455.617248
false
[CIF] data_Ba2BeSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.73996252 _cell_length_b 8.73996252 _cell_length_c 8.73996252 _cell_angle_alpha 30.57199222 _cell_angle_beta 30.57199222 _cell_angle_gamma 30.57199222 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2BeSe _chemical_formula_sum 'Ba2 Be1 Se1' _cell_volume 153.11402470 _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 6.12187831 1 Ba Ba1 1 0.00000000 0.00000000 18.85354073 1 Be Be2 1 -0.00000000 -0.00000000 -0.00000000 1 Se Se3 1 -0.00000000 0.00000000 12.48770952 1 [/CIF]
Ba2BeSe
R-3m
166
trigonal
-3m
3,932.722315
false
[CIF] data_CrCoAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21413288 _cell_length_b 5.21413288 _cell_length_c 5.21413288 _cell_angle_alpha 140.52139619 _cell_angle_beta 140.52139619 _cell_angle_gamma 57.06248211 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrCoAs2 _chemical_formula_sum 'Cr1 Co1 As2' _cell_volume 56.82554863 _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 1.76102634 -0.00000000 2.29045597 1 As As1 1 0.00000000 -0.00000000 4.58091193 1 Co Co2 1 -0.00000000 1.76102634 2.29045597 1 Cr Cr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As2CoCr
I-4m2
119
tetragonal
-42m
7,620.215306
false
[CIF] data_GaCo2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.06400572 _cell_length_b 4.06400572 _cell_length_c 4.06400572 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaCo2Ni _chemical_formula_sum 'Ga1 Co2 Ni1' _cell_volume 47.46220734 _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 1.43684300 1.43684300 1.43684300 1 Co Co1 1 4.31052900 4.31052900 4.31052900 1 Ga Ga2 1 2.87368600 2.87368600 2.87368600 1 Ni Ni3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Co2GaNi
Fm-3m
225
cubic
m-3m
8,616.586061
false
[CIF] data_MgTiMn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31769427 _cell_length_b 4.31769427 _cell_length_c 4.31769427 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTiMn2 _chemical_formula_sum 'Mg1 Ti1 Mn2' _cell_volume 56.91682492 _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 3.05307090 3.05307090 3.05307090 1 Mn Mn2 1 1.52653545 1.52653545 1.52653545 1 Ti Ti3 1 4.57960635 4.57960635 4.57960635 1 [/CIF]
MgMn2Ti
F-43m
216
cubic
-43m
5,311.223279
false
[CIF] data_TaVGaFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30593465 _cell_length_b 4.30593465 _cell_length_c 4.30593465 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaVGaFe _chemical_formula_sum 'Ta1 V1 Ga1 Fe1' _cell_volume 56.45303612 _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 3.04475559 3.04475559 3.04475559 1 Fe Fe1 1 1.52237779 1.52237779 1.52237779 1 V V2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 4.56713338 4.56713338 4.56713338 1 [/CIF]
FeGaTaV
F-43m
216
cubic
-43m
10,514.437928
false
[CIF] data_TaZnGaCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31130579 _cell_length_b 4.31130579 _cell_length_c 4.31130579 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaZnGaCo _chemical_formula_sum 'Ta1 Zn1 Ga1 Co1' _cell_volume 56.66455523 _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 0.00000000 1 Ga Ga1 1 4.57283034 4.57283034 4.57283034 1 Ta Ta2 1 1.52427678 1.52427678 1.52427678 1 Zn Zn3 1 3.04855356 3.04855356 3.04855356 1 [/CIF]
CoGaTaZn
F-43m
216
cubic
-43m
10,988.804259
false
[CIF] data_TiAgSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.65717121 _cell_length_b 3.65717121 _cell_length_c 6.38333653 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiAgSb2 _chemical_formula_sum 'Ti1 Ag1 Sb2' _cell_volume 85.37649556 _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 0.00000000 0.00000000 3.19166827 1 Sb Sb1 1 1.82858560 1.82858560 4.88843520 1 Sb Sb2 1 1.82858560 1.82858560 1.49490133 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgSb2Ti
P4/mmm
123
tetragonal
4/mmm
7,765.432598
false
[CIF] data_ZrPPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58318059 _cell_length_b 4.58318059 _cell_length_c 4.58318059 _cell_angle_alpha 122.28281964 _cell_angle_beta 122.28281964 _cell_angle_gamma 86.08952205 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrPPd2 _chemical_formula_sum 'Zr1 P1 Pd2' _cell_volume 65.55947990 _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 Pd Pd1 1 2.21206994 -0.00000000 1.67474159 1 Pd Pd2 1 0.00000000 -0.00000000 3.34948317 1 Zr Zr3 1 -0.00000000 2.21206994 1.67474159 1 [/CIF]
PPd2Zr
I-4m2
119
tetragonal
-42m
8,486.084597
false
[CIF] data_NbVAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32855135 _cell_length_b 4.32855135 _cell_length_c 4.32855135 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbVAg _chemical_formula_sum 'Nb1 V1 Ag1' _cell_volume 57.34726667 _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 4.59112201 4.59112201 4.59112201 1 Nb Nb1 1 1.53037400 1.53037400 1.53037401 1 V V2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgNbV
F-43m
216
cubic
-43m
7,288.653998
false
[CIF] data_NbNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.72279109 _cell_length_b 2.72279109 _cell_length_c 3.83606288 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbNi _chemical_formula_sum 'Nb1 Ni1' _cell_volume 28.43900237 _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 1.36139554 1.36139554 1.91803144 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
NbNi
P4/mmm
123
tetragonal
4/mmm
8,851.835024
false
[CIF] data_Al2IrPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.90307201 _cell_length_b 2.90307201 _cell_length_c 6.78821533 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2IrPt _chemical_formula_sum 'Al2 Ir1 Pt1' _cell_volume 57.20990498 _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 1.45153600 1.45153600 5.16789759 1 Al Al1 1 1.45153600 1.45153600 1.62031774 1 Ir Ir2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 0.00000000 0.00000000 3.39410766 1 [/CIF]
Al2IrPt
P4/mmm
123
tetragonal
4/mmm
12,807.880021
false
[CIF] data_HfRu2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.36357722 _cell_length_b 3.36357722 _cell_length_c 5.74454480 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfRu2Pt _chemical_formula_sum 'Hf1 Ru2 Pt1' _cell_volume 64.99177913 _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 2.88353487 1 Pt Pt1 1 1.68178861 1.68178861 4.30080047 1 Ru Ru2 1 0.00000000 0.00000000 0.13936869 1 Ru Ru3 1 1.68178861 1.68178861 1.29311323 1 [/CIF]
HfPtRu2
P4mm
99
tetragonal
4mm
14,709.484815
false
[CIF] data_TeMo2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30651610 _cell_length_b 5.30651610 _cell_length_c 5.30651610 _cell_angle_alpha 145.89631196 _cell_angle_beta 116.67808762 _cell_angle_gamma 73.91867110 _symmetry_Int_Tables_number 1 _chemical_formula_structural TeMo2Cl _chemical_formula_sum 'Te1 Mo2 Cl1' _cell_volume 73.51187905 _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 Mo Mo1 1 0.00000000 2.78534652 2.24455132 1 Mo Mo2 1 1.55606631 -0.00000000 1.99568635 1 Te Te3 1 -0.00000000 0.00000000 4.24023767 1 [/CIF]
ClMo2Te
Immm
71
orthorhombic
mmm
8,018.384807
false
[CIF] data_BaCdIrOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99559623 _cell_length_b 4.99559623 _cell_length_c 4.99559623 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCdIrOs _chemical_formula_sum 'Ba1 Cd1 Ir1 Os1' _cell_volume 88.15500809 _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 1.76620998 1.76620999 1.76620999 1 Cd Cd1 1 0.00000000 0.00000000 0.00000000 1 Ir Ir2 1 3.53241997 3.53241997 3.53241997 1 Os Os3 1 5.29862996 5.29862996 5.29862995 1 [/CIF]
BaCdIrOs
F-43m
216
cubic
-43m
11,908.204793
false
[CIF] data_HfNbGa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.49646492 _cell_length_b 3.49646492 _cell_length_c 5.76074009 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfNbGa2 _chemical_formula_sum 'Hf1 Nb1 Ga2' _cell_volume 70.42658535 _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 1.74823246 1.74823246 1.33826728 1 Ga Ga1 1 1.74823246 1.74823246 4.42247281 1 Hf Hf2 1 0.00000000 0.00000000 2.88037004 1 Nb Nb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ga2HfNb
P4/mmm
123
tetragonal
4/mmm
9,686.964358
false
[CIF] data_Li2PrBe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72610038 _cell_length_b 4.72610038 _cell_length_c 4.72610038 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2PrBe _chemical_formula_sum 'Li2 Pr1 Be1' _cell_volume 74.64381469 _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 Li Li1 1 5.01278644 5.01278644 5.01278644 1 Li Li2 1 1.67092881 1.67092881 1.67092881 1 Pr Pr3 1 3.34185762 3.34185762 3.34185762 1 [/CIF]
BeLi2Pr
Fm-3m
225
cubic
m-3m
3,643.963567
false
[CIF] data_Nb2ReSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65968189 _cell_length_b 4.65968189 _cell_length_c 4.65968189 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2ReSn _chemical_formula_sum 'Nb2 Re1 Sn1' _cell_volume 71.54080262 _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 4.94233899 4.94233899 4.94233899 1 Nb Nb1 1 1.64744633 1.64744633 1.64744633 1 Re Re2 1 3.29489266 3.29489266 3.29489266 1 Sn Sn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Nb2ReSn
Fm-3m
225
cubic
m-3m
11,390.366166
false
[CIF] data_KGaPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.02194530 _cell_length_b 3.02194530 _cell_length_c 8.40721888 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KGaPt2 _chemical_formula_sum 'K1 Ga1 Pt2' _cell_volume 76.77601245 _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 4.20360944 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 1.51097265 1.51097265 2.66751471 1 Pt Pt3 1 1.51097265 1.51097265 5.73970417 1 [/CIF]
GaKPt2
P4/mmm
123
tetragonal
4/mmm
10,792.319112
false
[CIF] data_BaTiRePb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15667091 _cell_length_b 5.15667091 _cell_length_c 5.15667091 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTiRePb _chemical_formula_sum 'Ba1 Ti1 Re1 Pb1' _cell_volume 96.96014396 _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 3.64631697 3.64631697 3.64631697 1 Pb Pb1 1 1.82315848 1.82315848 1.82315848 1 Re Re2 1 5.46947545 5.46947545 5.46947545 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaPbReTi
F-43m
216
cubic
-43m
9,909.118584
false
[CIF] data_Ca2NbOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.88740442 _cell_length_b 5.10288104 _cell_length_c 5.65035067 _cell_angle_alpha 90.00000000 _cell_angle_beta 97.57126365 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2NbOs _chemical_formula_sum 'Ca2 Nb1 Os1' _cell_volume 82.52690769 _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 0.79841086 2.55144052 4.15146794 1 Ca Ca1 1 1.34450767 2.55144052 1.44962156 1 Nb Nb2 1 0.00000000 0.00000000 0.00000000 1 Os Os3 1 -0.37224294 0.00000000 2.80054475 1 [/CIF]
Ca2NbOs
P2/m
10
monoclinic
2/m
7,309.872701
false
[CIF] data_NaCo2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17056093 _cell_length_b 4.17056093 _cell_length_c 4.17056093 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCo2Ge _chemical_formula_sum 'Na1 Co2 Ge1' _cell_volume 51.29421815 _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 4.42354788 4.42354788 4.42354788 1 Co Co1 1 1.47451596 1.47451596 1.47451596 1 Ge Ge2 1 2.94903192 2.94903192 2.94903192 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Co2GeNa
Fm-3m
225
cubic
m-3m
6,911.506475
false
[CIF] data_GeTeSe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.78813694 _cell_length_b 5.78813694 _cell_length_c 5.78813694 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeTeSe4 _chemical_formula_sum 'Ge1 Te1 Se4' _cell_volume 137.12018617 _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 Se Se1 1 5.11511193 5.11511193 3.07054983 1 Se Se2 1 5.11511193 3.07054983 5.11511193 1 Se Se3 1 3.07054983 5.11511193 5.11511193 1 Se Se4 1 3.07054983 3.07054983 3.07054983 1 Te Te5 1 6.13924632 6.13924632 6.13924632 1 [/CIF]
GeSe4Te
F-43m
216
cubic
-43m
6,249.780032
false
[CIF] data_SrLi2Hf _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38833848 _cell_length_b 5.38833848 _cell_length_c 3.44575504 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrLi2Hf _chemical_formula_sum 'Sr1 Li2 Hf1' _cell_volume 100.04471189 _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 2.69416924 2.69416924 0.00000000 1 Li Li1 1 2.69416924 0.00000000 1.72287752 1 Li Li2 1 0.00000000 2.69416924 1.72287752 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfLi2Sr
P4/mmm
123
tetragonal
4/mmm
4,647.319273
false
[CIF] data_InCo2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.04223814 _cell_length_b 4.04223814 _cell_length_c 4.04223814 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InCo2B _chemical_formula_sum 'In1 Co2 B1' _cell_volume 46.70363555 _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 Co Co1 1 1.42914700 1.42914700 1.42914700 1 Co Co2 1 4.28744100 4.28744100 4.28744100 1 In In3 1 2.85829400 2.85829400 2.85829400 1 [/CIF]
BCo2In
Fm-3m
225
cubic
m-3m
8,657.433257
false
[CIF] data_Na3Li2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.23025791 _cell_length_b 14.23025791 _cell_length_c 14.23025791 _cell_angle_alpha 13.98301027 _cell_angle_beta 13.98301027 _cell_angle_gamma 13.98301027 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na3Li2 _chemical_formula_sum 'Na3 Li2' _cell_volume 146.43190575 _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 0.00000000 0.00000000 16.79666768 1 Li Li1 1 0.00000000 0.00000000 25.47032341 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Na Na3 1 -0.00000000 -0.00000000 33.60929790 1 Na Na4 1 -0.00000000 0.00000000 8.65769318 1 [/CIF]
Li2Na3
R-3m
166
trigonal
-3m
939.534541
false
[CIF] data_Mg2ZrFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64711831 _cell_length_b 4.64711831 _cell_length_c 4.64711831 _cell_angle_alpha 120.73934062 _cell_angle_beta 120.73934062 _cell_angle_gamma 88.72412470 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2ZrFe _chemical_formula_sum 'Mg2 Zr1 Fe1' _cell_volume 70.15179336 _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 3.32239123 1 Mg Mg1 1 0.00000000 2.29754490 1.66119562 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 2.29754490 0.00000000 1.66119562 1 [/CIF]
FeMg2Zr
I-4m2
119
tetragonal
-42m
4,631.850569
false
[CIF] data_KHfReAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81996000 _cell_length_b 4.81996000 _cell_length_c 4.81996000 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KHfReAg _chemical_formula_sum 'K1 Hf1 Re1 Ag1' _cell_volume 79.17996476 _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 3.40822640 3.40822640 3.40822640 1 Hf Hf1 1 1.70411320 1.70411320 1.70411320 1 K K2 1 0.00000000 0.00000000 0.00000000 1 Re Re3 1 5.11233960 5.11233960 5.11233960 1 [/CIF]
AgHfKRe
F-43m
216
cubic
-43m
10,730.457298
false
[CIF] data_KScCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.54595764 _cell_length_b 3.84492052 _cell_length_c 7.66887646 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KScCl2 _chemical_formula_sum 'K1 Sc1 Cl2' _cell_volume 104.55688871 _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 1.77297882 1.92246026 5.81757180 1 Cl Cl1 1 1.77297882 1.92246026 1.85130466 1 K K2 1 0.00000000 0.00000000 0.00000000 1 Sc Sc3 1 0.00000000 1.92246026 3.83443823 1 [/CIF]
Cl2KSc
Pmmm
47
orthorhombic
mmm
2,461.028675
false
[CIF] data_BeTeRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54272381 _cell_length_b 5.51003976 _cell_length_c 3.12340504 _cell_angle_alpha 74.16111171 _cell_angle_beta 73.01084952 _cell_angle_gamma 32.82803877 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeTeRh _chemical_formula_sum 'Be1 Te1 Rh1' _cell_volume 49.38728908 _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 2.16730363 2.24910071 0.49414380 1 Rh Rh1 1 2.16730363 2.24910071 6.24784402 1 Te Te2 1 2.16730363 2.24910071 3.38981028 1 [/CIF]
BeRhTe
Fmm2
42
orthorhombic
mm2
8,053.255717
false
[CIF] data_SbPbO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29620495 _cell_length_b 4.29620495 _cell_length_c 4.29620495 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SbPbO3 _chemical_formula_sum 'Sb1 Pb1 O3' _cell_volume 79.29667431 _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 O O0 1 0.00000000 2.14810248 2.14810248 1 O O1 1 2.14810248 0.00000000 2.14810248 1 O O2 1 2.14810248 2.14810248 0.00000000 1 Pb Pb3 1 2.14810248 2.14810248 2.14810248 1 Sb Sb4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
O3PbSb
Pm-3m
221
cubic
m-3m
7,893.821815
false
[CIF] data_LiCoAgSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52321352 _cell_length_b 4.52321352 _cell_length_c 4.52321352 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCoAgSn _chemical_formula_sum 'Li1 Co1 Ag1 Sn1' _cell_volume 65.43743518 _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 3.19839495 3.19839495 3.19839495 1 Co Co1 1 1.59919748 1.59919748 1.59919748 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 4.79759243 4.79759243 4.79759243 1 [/CIF]
AgCoLiSn
F-43m
216
cubic
-43m
7,421.266217
false
[CIF] data_SrV2Zn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.04738384 _cell_length_b 10.04738384 _cell_length_c 10.04738384 _cell_angle_alpha 17.21786563 _cell_angle_beta 17.21786563 _cell_angle_gamma 17.21786563 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrV2Zn _chemical_formula_sum 'Sr1 V2 Zn1' _cell_volume 77.54358865 _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 Sr Sr0 1 0.00000000 -0.00000000 14.84423748 1 V V1 1 0.00000000 0.00000000 21.89968812 1 V V2 1 -0.00000000 0.00000000 7.78878684 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
SrV2Zn
R-3m
166
trigonal
-3m
5,458.132468
false
[CIF] data_Mn2CrRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.57887079 _cell_length_b 2.57887079 _cell_length_c 7.89695767 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 105.76552560 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2CrRe _chemical_formula_sum 'Mn2 Cr1 Re1' _cell_volume 50.54361604 _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 Mn Mn1 1 1.55621419 0.00000000 1.87694140 1 Mn Mn2 1 1.55621419 0.00000000 6.02001627 1 Re Re3 1 0.00000000 0.00000000 3.94847883 1 [/CIF]
CrMn2Re
Cmmm
65
orthorhombic
mmm
11,435.649811
false
[CIF] data_AlGaPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07389099 _cell_length_b 5.07389099 _cell_length_c 5.07389099 _cell_angle_alpha 136.86064482 _cell_angle_beta 136.86064482 _cell_angle_gamma 62.65253421 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlGaPt2 _chemical_formula_sum 'Al1 Ga1 Pt2' _cell_volume 60.32274048 _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 Ga Ga1 1 1.86532692 0.00000000 2.16711102 1 Pt Pt2 1 0.00000000 -0.00000000 4.33422204 1 Pt Pt3 1 0.00000000 1.86532692 2.16711102 1 [/CIF]
AlGaPt2
I-4m2
119
tetragonal
-42m
13,402.422775
false
[CIF] data_PmEr2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34610345 _cell_length_b 5.34610345 _cell_length_c 5.34610345 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PmEr2Hg _chemical_formula_sum 'Pm1 Er2 Hg1' _cell_volume 108.04310989 _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 1.89013300 1.89013300 1.89013300 1 Er Er1 1 5.67039900 5.67039900 5.67039900 1 Hg Hg2 1 3.78026600 3.78026600 3.78026600 1 Pm Pm3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Er2HgPm
Fm-3m
225
cubic
m-3m
10,452.734141
false
[CIF] data_K5Sb4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.90509286 _cell_length_b 11.90509286 _cell_length_c 5.86008421 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K5Sb4 _chemical_formula_sum 'K10 Sb8' _cell_volume 719.28344233 _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 K K0 1 4.35883361 7.54972128 4.39506316 1 K K1 1 3.18742563 0.00000000 4.39506316 1 K K2 1 -1.59371282 2.76039157 4.39506316 1 K K3 1 1.59371282 2.76039157 1.46502105 1 K K4 1 8.71766723 0.00000000 1.46502105 1 K K5 1 -4.35883361 7.54972128 1.46502105 1 K K6 1 0.00000000 6.87340857 2.93004211 1 K K7 1 5.95254643 3.43670428 0.00000000 1 K K8 1 5.95254643 3.43670428 2.93004211 1 K K9 1 -0.00000000 6.87340857 0.00000000 1 Sb Sb10 1 0.00000000 0.00000000 2.93004211 1 Sb Sb11 1 0.00000000 0.00000000 0.00000000 1 Sb Sb12 1 2.63486694 4.56372341 4.39506316 1 Sb Sb13 1 6.63535898 0.00000000 4.39506316 1 Sb Sb14 1 -3.31767949 5.74638944 4.39506316 1 Sb Sb15 1 3.31767949 5.74638944 1.46502105 1 Sb Sb16 1 5.26973388 0.00000000 1.46502105 1 Sb Sb17 1 -2.63486694 4.56372341 1.46502105 1 [/CIF]
K10Sb8
P6_3/mcm
193
hexagonal
6/mmm
3,151.386931
false
[CIF] data_BaNaNb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.34036290 _cell_length_b 3.34036290 _cell_length_c 9.29134158 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNaNb _chemical_formula_sum 'Ba1 Na1 Nb1' _cell_volume 89.78346485 _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 1.67018147 0.96427970 8.97720281 1 Na Na1 1 0.00000000 0.00000000 3.44026658 1 Nb Nb2 1 0.00000002 1.92855941 6.16521377 1 [/CIF]
BaNaNb
P3m1
156
trigonal
3m
4,683.344898
false
[CIF] data_Ce4MgRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.14486382 _cell_length_b 10.14486382 _cell_length_c 10.14486382 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce4MgRu _chemical_formula_sum 'Ce16 Mg4 Ru4' _cell_volume 738.28435749 _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 Ce Ce0 1 4.94235057 4.94235057 4.94235057 1 Ce Ce1 1 8.04842789 10.76025300 10.76025300 1 Ce Ce2 1 10.76025300 10.76025300 8.04842789 1 Ce Ce3 1 10.76025300 8.04842789 10.76025300 1 Ce Ce4 1 2.70788600 7.17350200 7.17350200 1 Ce Ce5 1 7.17350200 7.17350200 2.70788600 1 Ce Ce6 1 7.17350200 2.70788600 7.17350200 1 Ce Ce7 1 10.76025300 10.76025300 13.47207811 1 Ce Ce8 1 13.47207811 10.76025300 10.76025300 1 Ce Ce9 1 10.76025300 13.47207811 10.76025300 1 Ce Ce10 1 9.40465343 9.40465343 4.94235057 1 Ce Ce11 1 4.94235057 9.40465343 9.40465343 1 Ce Ce12 1 9.40465343 4.94235057 9.40465343 1 Ce Ce13 1 7.17350200 7.17350200 11.63911800 1 Ce Ce14 1 11.63911800 7.17350200 7.17350200 1 Ce Ce15 1 7.17350200 11.63911800 7.17350200 1 Mg Mg16 1 6.05072332 8.29628068 6.05072332 1 Mg Mg17 1 6.05072332 6.05072332 8.29628068 1 Mg Mg18 1 8.29628068 6.05072332 6.05072332 1 Mg Mg19 1 8.29628068 8.29628068 8.29628068 1 Ru Ru20 1 1.98132593 1.98132593 1.98132593 1 Ru Ru21 1 5.19217607 1.98132593 5.19217607 1 Ru Ru22 1 1.98132593 5.19217607 5.19217607 1 Ru Ru23 1 5.19217607 5.19217607 1.98132593 1 [/CIF]
Ce16Mg4Ru4
F-43m
216
cubic
-43m
6,170.318747
false
[CIF] data_AlCr2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26720669 _cell_length_b 4.26720669 _cell_length_c 4.26720669 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCr2W _chemical_formula_sum 'Al1 Cr2 W1' _cell_volume 54.94346454 _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 4.52605618 4.52605618 4.52605619 1 Cr Cr2 1 1.50868540 1.50868540 1.50868540 1 W W3 1 3.01737079 3.01737079 3.01737079 1 [/CIF]
AlCr2W
Fm-3m
225
cubic
m-3m
9,514.516713
false
[CIF] data_CaSiBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.26092136 _cell_length_b 6.26092136 _cell_length_c 6.26092136 _cell_angle_alpha 143.26437932 _cell_angle_beta 129.84203710 _cell_angle_gamma 63.76351307 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaSiBi2 _chemical_formula_sum 'Ca1 Si1 Bi2' _cell_volume 111.34073915 _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 2.65379916 4.98721178 1 Bi Bi1 1 0.00000000 0.00000000 2.58988251 1 Ca Ca2 1 0.00000000 2.65379916 0.25424707 1 Si Si3 1 0.00000000 -0.00000000 8.11785312 1 [/CIF]
Bi2CaSi
Imm2
44
orthorhombic
mm2
7,250.072144
false
[CIF] data_VFe6Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.37501166 _cell_length_b 6.37501166 _cell_length_c 10.32317702 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.98531430 _symmetry_Int_Tables_number 1 _chemical_formula_structural VFe6Pd _chemical_formula_sum 'V4 Fe24 Pd4' _cell_volume 394.27719459 _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 Fe Fe0 1 3.65722569 -2.60314231 7.80494194 1 Fe Fe1 1 1.84888071 -1.30949331 9.07696805 1 Fe Fe2 1 5.46557067 1.30949331 9.07696805 1 Fe Fe3 1 3.65722569 2.60314231 7.80494194 1 Fe Fe4 1 5.46557067 -1.30949331 9.07696805 1 Fe Fe5 1 1.84888071 1.30949331 9.07696805 1 Fe Fe6 1 0.00000000 0.00000000 5.16158851 1 Fe Fe7 1 5.56881861 1.29945096 6.50998094 1 Fe Fe8 1 5.56881861 -1.29945096 6.50998094 1 Fe Fe9 1 3.65722569 -2.60314231 2.51823508 1 Fe Fe10 1 1.74563277 -1.29945096 3.81319608 1 Fe Fe11 1 5.56881861 1.29945096 3.81319608 1 Fe Fe12 1 3.65722569 2.60314231 2.51823508 1 Fe Fe13 1 5.56881861 -1.29945096 3.81319608 1 Fe Fe14 1 1.74563277 1.29945096 3.81319608 1 Fe Fe15 1 0.00000000 0.00000000 0.00000000 1 Fe Fe16 1 5.46557067 1.30949331 1.24620897 1 Fe Fe17 1 5.46557067 -1.30949331 1.24620897 1 Fe Fe18 1 3.65722569 -0.00000000 5.16158851 1 Fe Fe19 1 1.74563277 1.29945096 6.50998094 1 Fe Fe20 1 1.74563277 -1.29945096 6.50998094 1 Fe Fe21 1 3.65722569 -0.00000000 0.00000000 1 Fe Fe22 1 1.84888071 1.30949331 1.24620897 1 Fe Fe23 1 1.84888071 -1.30949331 1.24620897 1 Pd Pd24 1 3.65722569 -2.55020213 5.16158851 1 Pd Pd25 1 3.65722569 2.55020213 5.16158851 1 Pd Pd26 1 3.65722569 -0.00000000 7.72058383 1 Pd Pd27 1 3.65722569 -0.00000000 2.60259319 1 V V28 1 3.65722569 -2.65916993 0.00000000 1 V V29 1 3.65722569 2.65916993 0.00000000 1 V V30 1 0.00000000 0.00000000 7.87451365 1 V V31 1 0.00000000 0.00000000 2.44866337 1 [/CIF]
Fe24Pd4V4
Cmmm
65
orthorhombic
mmm
8,295.704186
false
[CIF] data_InPt4Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33712070 _cell_length_b 5.33712070 _cell_length_c 5.33712070 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InPt4Au _chemical_formula_sum 'In1 Pt4 Au1' _cell_volume 107.49940890 _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 5.66087136 5.66087136 5.66087136 1 In In1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 4.71635744 4.71635744 2.83147104 1 Pt Pt3 1 4.71635744 2.83147104 4.71635744 1 Pt Pt4 1 2.83147104 4.71635744 4.71635744 1 Pt Pt5 1 2.83147104 2.83147104 2.83147104 1 [/CIF]
AuInPt4
F-43m
216
cubic
-43m
16,869.942717
false
[CIF] data_Zr2TlGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29605672 _cell_length_b 5.29605672 _cell_length_c 5.29605672 _cell_angle_alpha 130.29370327 _cell_angle_beta 130.29370327 _cell_angle_gamma 72.93766652 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2TlGa _chemical_formula_sum 'Zr2 Tl1 Ga1' _cell_volume 84.40683638 _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 0.00000000 1 Tl Tl1 1 0.00000000 0.00000000 4.25898450 1 Zr Zr2 1 0.00000000 2.22590070 2.12949225 1 Zr Zr3 1 2.22590070 0.00000000 2.12949225 1 [/CIF]
GaTlZr2
I4/mmm
139
tetragonal
4/mmm
8,981.810996
false
[CIF] data_CoReW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.17587899 _cell_length_b 3.17587899 _cell_length_c 5.76189184 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoReW2 _chemical_formula_sum 'Co1 Re1 W2' _cell_volume 58.11563588 _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 0.00000000 1 Re Re1 1 0.00000000 0.00000000 2.88094592 1 W W2 1 1.58793950 1.58793950 4.41336029 1 W W3 1 1.58793950 1.58793950 1.34853155 1 [/CIF]
CoReW2
P4/mmm
123
tetragonal
4/mmm
17,510.122004
false
[CIF] data_BaTc2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09713235 _cell_length_b 5.09713235 _cell_length_c 3.27172859 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTc2Ag _chemical_formula_sum 'Ba1 Tc2 Ag1' _cell_volume 85.00198937 _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 0.00000000 0.00000000 0.00000000 1 Ba Ba1 1 2.54856617 2.54856617 0.00000000 1 Tc Tc2 1 2.54856617 0.00000000 1.63586429 1 Tc Tc3 1 0.00000000 2.54856617 1.63586429 1 [/CIF]
AgBaTc2
P4/mmm
123
tetragonal
4/mmm
8,654.284824
false
[CIF] data_NbTe2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27212051 _cell_length_b 5.27212051 _cell_length_c 5.27212051 _cell_angle_alpha 135.38712237 _cell_angle_beta 124.49646581 _cell_angle_gamma 73.84578691 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbTe2Rh _chemical_formula_sum 'Nb1 Te2 Rh1' _cell_volume 82.82033037 _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 Rh Rh1 1 0.00000000 0.00000000 4.21476873 1 Te Te2 1 -0.00000000 2.45491976 1.71832724 1 Te Te3 1 2.00108675 -0.00000000 2.49644149 1 [/CIF]
NbRhTe2
Immm
71
orthorhombic
mmm
9,042.741594
false
[CIF] data_VRu5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29549044 _cell_length_b 7.18568141 _cell_length_c 7.18568141 _cell_angle_alpha 21.95744853 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VRu5 _chemical_formula_sum 'V1 Ru5' _cell_volume 82.93253389 _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 Ru Ru0 1 2.14774522 -0.00000000 14.09166475 1 Ru Ru1 1 2.14774522 -0.00000000 9.42625347 1 Ru Ru2 1 2.14774522 -0.00000000 4.73149050 1 Ru Ru3 1 0.00000000 -0.00000000 7.81144213 1 Ru Ru4 1 0.00000000 0.00000000 3.13437546 1 V V5 1 0.00000000 0.00000000 12.53534524 1 [/CIF]
Ru5V
Amm2
38
orthorhombic
mm2
11,138.496858
false
[CIF] data_TaRhBr4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.82528341 _cell_length_b 5.82528341 _cell_length_c 5.82528341 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaRhBr4 _chemical_formula_sum 'Ta1 Rh1 Br4' _cell_volume 139.77714958 _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 3.08912899 3.08912899 5.14906581 1 Br Br1 1 3.08912899 5.14906581 3.08912899 1 Br Br2 1 5.14906581 3.08912899 3.08912899 1 Br Br3 1 5.14906581 5.14906581 5.14906581 1 Rh Rh4 1 0.00000000 0.00000000 0.00000000 1 Ta Ta5 1 2.05954870 2.05954870 2.05954870 1 [/CIF]
Br4RhTa
F-43m
216
cubic
-43m
7,169.158078
false
[CIF] data_Eu3Be _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99202000 _cell_length_b 4.99202000 _cell_length_c 4.99202000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Eu3Be _chemical_formula_sum 'Eu3 Be1' _cell_volume 124.40245470 _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 Eu Eu1 1 2.49601000 2.49601000 0.00000000 1 Eu Eu2 1 2.49601000 0.00000000 2.49601000 1 Eu Eu3 1 0.00000000 2.49601000 2.49601000 1 [/CIF]
BeEu3
Pm-3m
221
cubic
m-3m
6,205.597456
false
[CIF] data_Tm2SiRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85294596 _cell_length_b 4.85294596 _cell_length_c 4.85294596 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm2SiRh _chemical_formula_sum 'Tm2 Si1 Rh1' _cell_volume 80.81674767 _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 Rh Rh0 1 3.43155100 3.43155100 3.43155100 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 Tm Tm2 1 1.71577550 1.71577550 1.71577550 1 Tm Tm3 1 5.14732650 5.14732650 5.14732650 1 [/CIF]
RhSiTm2
Fm-3m
225
cubic
m-3m
9,633.639141
false
[CIF] data_TaGeIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25158320 _cell_length_b 4.25158320 _cell_length_c 4.25158320 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaGeIr _chemical_formula_sum 'Ta1 Ge1 Ir1' _cell_volume 54.34217896 _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 4.50948496 4.50948496 4.50948497 1 Ta Ta2 1 3.00632331 3.00632331 3.00632331 1 [/CIF]
GeIrTa
F-43m
216
cubic
-43m
13,622.50159
false
[CIF] data_CaBeAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19243841 _cell_length_b 3.48405823 _cell_length_c 7.68870400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaBeAs2 _chemical_formula_sum 'Ca1 Be1 As2' _cell_volume 85.51869678 _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 7.63676150 1 As As1 1 1.59621921 1.74202911 4.56157499 1 Be Be2 1 0.00000000 0.00000000 5.36139589 1 Ca Ca3 1 1.59621921 1.74202911 1.66202755 1 [/CIF]
As2BeCa
Pmm2
25
orthorhombic
mm2
3,862.74189
false
[CIF] data_Cu7Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40908154 _cell_length_b 4.40908154 _cell_length_c 7.20000000 _cell_angle_alpha 114.09484255 _cell_angle_beta 114.09484255 _cell_angle_gamma 48.18968510 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu7Ag _chemical_formula_sum 'Cu7 Ag1' _cell_volume 93.31200000 _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 -1.60996894 0.00000000 3.21993789 1 Cu Cu1 1 0.80498447 0.00000000 2.41495342 1 Cu Cu2 1 3.21993789 0.00000000 1.60996894 1 Cu Cu3 1 5.63489130 0.00000000 0.80498447 1 Cu Cu4 1 0.00000000 0.00000000 0.00000000 1 Cu Cu5 1 -0.80498447 0.00000000 5.63489130 1 Cu Cu6 1 1.60996894 0.00000000 4.82990683 1 Cu Cu7 1 4.02492236 -0.00000000 4.02492236 1 [/CIF]
AgCu7
C2/m
12
monoclinic
2/m
9,835.430264
false
[CIF] data_Mg2SbBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28243119 _cell_length_b 5.60507689 _cell_length_c 4.30611485 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.18938074 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2SbBr _chemical_formula_sum 'Mg2 Sb1 Br1' _cell_volume 103.33893876 _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 3.68450895 0.00000000 0.57030951 1 Mg Mg1 1 3.97038310 2.80253845 0.44370558 1 Mg Mg2 1 1.15900752 0.00000000 2.83137422 1 Sb Sb3 1 1.75810465 2.80253845 2.61239131 1 [/CIF]
BrMg2Sb
Pm
6
monoclinic
m
4,021.618176
false
[CIF] data_Ca2NiRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.24796665 _cell_length_b 3.24796665 _cell_length_c 7.72227085 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2NiRu _chemical_formula_sum 'Ca2 Ni1 Ru1' _cell_volume 81.46445426 _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 1.62398332 1.62398332 5.83766254 1 Ca Ca1 1 1.62398332 1.62398332 1.88460831 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Ru Ru3 1 0.00000000 0.00000000 3.86113543 1 [/CIF]
Ca2NiRu
P4/mmm
123
tetragonal
4/mmm
4,890.42172
false
[CIF] data_MgPPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22193941 _cell_length_b 4.22193941 _cell_length_c 4.22193941 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgPPt _chemical_formula_sum 'Mg1 P1 Pt1' _cell_volume 53.21339807 _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 P P1 1 1.49268099 1.49268099 1.49268099 1 Pt Pt2 1 4.47804299 4.47804299 4.47804299 1 [/CIF]
MgPPt
F-43m
216
cubic
-43m
7,812.640466
false
[CIF] data_Tm3SnC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49190077 _cell_length_b 5.49190077 _cell_length_c 5.49190077 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm3SnC _chemical_formula_sum 'Tm3 Sn1 C1' _cell_volume 165.64107671 _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 Sn Sn1 1 2.74595039 2.74595039 2.74595039 1 Tm Tm2 1 2.74595039 2.74595039 0.00000000 1 Tm Tm3 1 2.74595039 0.00000000 2.74595039 1 Tm Tm4 1 0.00000000 2.74595039 2.74595039 1 [/CIF]
CSnTm3
Pm-3m
221
cubic
m-3m
6,391.122398
false
[CIF] data_KBiTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.69276438 _cell_length_b 5.69276438 _cell_length_c 5.69276438 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KBiTe2 _chemical_formula_sum 'K1 Bi1 Te2' _cell_volume 130.45316800 _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 6.03808845 6.03808845 6.03808845 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 2.01269615 2.01269615 2.01269615 1 Te Te3 1 4.02539230 4.02539230 4.02539230 1 [/CIF]
BiKTe2
F-43m
216
cubic
-43m
6,406.237239
false
[CIF] data_ZrTcHg3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48292108 _cell_length_b 5.48292108 _cell_length_c 5.48292108 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTcHg3 _chemical_formula_sum 'Zr1 Tc1 Hg3' _cell_volume 164.82989591 _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 2.74146054 0.00000000 1 Hg Hg1 1 0.00000000 0.00000000 2.74146054 1 Hg Hg2 1 2.74146054 0.00000000 0.00000000 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 Tc Tc4 1 2.74146054 2.74146054 2.74146054 1 [/CIF]
Hg3TcZr
Pm-3m
221
cubic
m-3m
7,977.807738
false
[CIF] data_Cd3CuMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40093910 _cell_length_b 5.40093910 _cell_length_c 5.40093910 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd3CuMo _chemical_formula_sum 'Cd3 Cu1 Mo1' _cell_volume 157.54616676 _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 2.70046955 2.70046955 2.70046955 1 Cu Cu1 1 0.00000000 0.00000000 0.00000000 1 Cd Cd2 1 2.70046955 0.00000000 2.70046955 1 Cd Cd3 1 2.70046955 2.70046955 0.00000000 1 Cd Cd4 1 0.00000000 2.70046955 2.70046955 1 [/CIF]
Cd3CuMo
Pm-3m
221
cubic
m-3m
5,235.636845
false
[CIF] data_YC5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72519028 _cell_length_b 4.72519028 _cell_length_c 2.63097189 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YC5 _chemical_formula_sum 'Y1 C5' _cell_volume 50.87277681 _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 2.36259514 1.36404494 0.00000000 1 C C1 1 -0.00000000 2.72808988 0.00000000 1 C C2 1 -1.18129757 2.04606741 1.31548594 1 C C3 1 1.18129757 2.04606741 1.31548594 1 C C4 1 2.36259514 0.00000000 1.31548594 1 Y Y5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
C5Y
P6/mmm
191
hexagonal
6/mmm
4,862.184365
false
[CIF] data_Ir2AuBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.75518162 _cell_length_b 9.75518162 _cell_length_c 9.75518162 _cell_angle_alpha 17.39134146 _cell_angle_beta 17.39134146 _cell_angle_gamma 17.39134146 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ir2AuBr _chemical_formula_sum 'Ir2 Au1 Br1' _cell_volume 72.37687133 _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 14.73891186 1 Br Br1 1 -0.00000000 0.00000000 21.19302926 1 Ir Ir2 1 -0.00000000 0.00000000 28.65636227 1 Ir Ir3 1 0.00000000 0.00000000 7.45204947 1 [/CIF]
AuBrIr2
R3m
160
trigonal
3m
15,172.278826
false
[CIF] data_TaCuOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24612428 _cell_length_b 4.24612428 _cell_length_c 4.24612428 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaCuOs _chemical_formula_sum 'Ta1 Cu1 Os1' _cell_volume 54.13312583 _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 4.50369490 4.50369490 4.50369490 1 Ta Ta2 1 3.00246327 3.00246327 3.00246327 1 [/CIF]
CuOsTa
F-43m
216
cubic
-43m
13,335.19864
false
[CIF] data_NbSnRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39775008 _cell_length_b 4.39775008 _cell_length_c 4.39775008 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbSnRh _chemical_formula_sum 'Nb1 Sn1 Rh1' _cell_volume 60.14182966 _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 Rh Rh1 1 1.55483945 1.55483945 1.55483945 1 Sn Sn2 1 3.10967890 3.10967890 3.10967890 1 [/CIF]
NbRhSn
F-43m
216
cubic
-43m
8,684.070173
false
[CIF] data_ZnBCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33629712 _cell_length_b 4.33629712 _cell_length_c 4.33629712 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnBCl _chemical_formula_sum 'Zn1 B1 Cl1' _cell_volume 57.65568004 _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 Cl Cl1 1 3.06622510 3.06622510 3.06622510 1 Zn Zn2 1 4.59933765 4.59933765 4.59933765 1 [/CIF]
BClZn
F-43m
216
cubic
-43m
3,215.454634
false