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_YBeOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.92902805 _cell_length_b 2.92902805 _cell_length_c 7.33544640 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YBeOs2 _chemical_formula_sum 'Y1 Be1 Os2' _cell_volume 62.93230076 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.89467575 1 Os Os1 1 1.46451402 1.46451402 7.18878706 1 Os Os2 1 0.00000000 0.00000000 1.47643743 1 Y Y3 1 1.46451402 1.46451402 3.77871577 1 [/CIF]
BeOs2Y
P4mm
99
tetragonal
4mm
12,622.538841
false
[CIF] data_Re3IrPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66086746 _cell_length_b 4.66086746 _cell_length_c 4.66086746 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re3IrPt _chemical_formula_sum 'Re3 Ir1 Pt1' _cell_volume 101.25121876 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.33043373 0.00000000 2.33043373 1 Re Re1 1 2.33043373 2.33043373 0.00000000 1 Re Re2 1 0.00000000 2.33043373 2.33043373 1 Ir Ir3 1 0.00000000 0.00000000 0.00000000 1 Pt Pt4 1 2.33043373 2.33043373 2.33043373 1 [/CIF]
IrPtRe3
Pm-3m
221
cubic
m-3m
15,513.299041
false
[CIF] data_KAs4W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.60747613 _cell_length_b 5.60747613 _cell_length_c 5.60747613 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KAs4W _chemical_formula_sum 'K1 As4 W1' _cell_volume 124.67727565 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.99505605 2.99505605 4.93511275 1 As As1 1 2.99505605 4.93511275 2.99505605 1 As As2 1 4.93511275 2.99505605 2.99505605 1 As As3 1 4.93511275 4.93511275 4.93511275 1 K K4 1 0.00000000 0.00000000 0.00000000 1 W W5 1 1.98254220 1.98254220 1.98254220 1 [/CIF]
As4KW
F-43m
216
cubic
-43m
6,960.680902
false
[CIF] data_LiCrInRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33661198 _cell_length_b 4.33661198 _cell_length_c 4.33661198 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCrInRe _chemical_formula_sum 'Li1 Cr1 In1 Re1' _cell_volume 57.66824017 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.06644774 3.06644774 3.06644774 1 In In1 1 1.53322387 1.53322387 1.53322387 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Re Re3 1 4.59967161 4.59967161 4.59967161 1 [/CIF]
CrInLiRe
F-43m
216
cubic
-43m
10,364.996881
false
[CIF] data_Cs2GaAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.08783985 _cell_length_b 6.08783985 _cell_length_c 6.08783985 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs2GaAs _chemical_formula_sum 'Cs2 Ga1 As1' _cell_volume 159.54186287 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.30475284 4.30475284 4.30475284 1 Cs Cs1 1 2.15237642 2.15237642 2.15237642 1 Cs Cs2 1 6.45712926 6.45712926 6.45712926 1 Ga Ga3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsCs2Ga
Fm-3m
225
cubic
m-3m
4,272.091267
false
[CIF] data_InSiP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99813686 _cell_length_b 4.99813686 _cell_length_c 5.48950560 _cell_angle_alpha 106.63911045 _cell_angle_beta 106.63911045 _cell_angle_gamma 37.25548075 _symmetry_Int_Tables_number 1 _chemical_formula_structural InSiP2 _chemical_formula_sum 'In1 Si1 P2' _cell_volume 79.13686969 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.90691614 -0.00000000 2.61644492 1 P P1 1 1.36423818 0.00000000 4.61720388 1 P P2 1 6.44959411 -0.00000000 0.61568596 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InP2Si
C2/m
12
monoclinic
2/m
4,298.415259
false
[CIF] data_TaCoBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51373072 _cell_length_b 4.51373072 _cell_length_c 4.51373072 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaCoBi _chemical_formula_sum 'Ta1 Co1 Bi1' _cell_volume 65.02673388 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 3.19168960 3.19168960 3.19168960 1 Co Co1 1 -0.00000000 -0.00000000 -0.00000000 1 Ta Ta2 1 4.78753440 4.78753440 4.78753440 1 [/CIF]
BiCoTa
F-43m
216
cubic
-43m
11,462.239763
false
[CIF] data_YMnSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.30332798 _cell_length_b 3.30332798 _cell_length_c 7.62436825 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YMnSb2 _chemical_formula_sum 'Y1 Mn1 Sb2' _cell_volume 83.19692140 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 0.00000000 0.00000000 0.00000000 1 Sb Sb1 1 1.65166399 1.65166399 1.55134286 1 Sb Sb2 1 1.65166399 1.65166399 6.07302539 1 Y Y3 1 0.00000000 0.00000000 3.81218412 1 [/CIF]
MnSb2Y
P4/mmm
123
tetragonal
4/mmm
7,731.450513
false
[CIF] data_LaCr3Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74561728 _cell_length_b 4.74561728 _cell_length_c 4.74561728 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCr3Os _chemical_formula_sum 'La1 Cr3 Os1' _cell_volume 106.87549327 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.37280864 0.00000000 2.37280864 1 Cr Cr1 1 2.37280864 2.37280864 0.00000000 1 Cr Cr2 1 0.00000000 2.37280864 2.37280864 1 Os Os3 1 2.37280864 2.37280864 2.37280864 1 La La4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cr3LaOs
Pm-3m
221
cubic
m-3m
7,537.433957
false
[CIF] data_Cd2ReRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54458942 _cell_length_b 4.54458942 _cell_length_c 4.54458942 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2ReRu _chemical_formula_sum 'Cd2 Re1 Ru1' _cell_volume 66.36956372 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.82026500 4.82026500 4.82026500 1 Cd Cd1 1 1.60675500 1.60675500 1.60675500 1 Re Re2 1 3.21351000 3.21351000 3.21351000 1 Ru Ru3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cd2ReRu
Fm-3m
225
cubic
m-3m
12,812.505429
false
[CIF] data_HfFeCo6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.27028666 _cell_length_b 6.27028666 _cell_length_c 10.26713481 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.46005269 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfFeCo6 _chemical_formula_sum 'Hf4 Fe4 Co24' _cell_volume 380.60782679 _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 3.62065063 2.63000865 2.45244971 1 Co Co1 1 5.53249580 -1.24859330 3.77475636 1 Co Co2 1 1.70880546 1.24859330 3.77475636 1 Co Co3 1 3.62065063 -2.63000865 2.45244971 1 Co Co4 1 1.70880546 -1.24859330 3.77475636 1 Co Co5 1 5.53249580 1.24859330 3.77475636 1 Co Co6 1 3.62065063 -0.00000000 0.00000000 1 Co Co7 1 1.74257588 1.30687480 1.19141742 1 Co Co8 1 1.74257588 -1.30687480 1.19141742 1 Co Co9 1 3.62065063 2.63000865 7.81468510 1 Co Co10 1 5.49872538 -1.30687480 9.07571739 1 Co Co11 1 1.74257588 1.30687480 9.07571739 1 Co Co12 1 3.62065063 -2.63000865 7.81468510 1 Co Co13 1 1.74257588 -1.30687480 9.07571739 1 Co Co14 1 5.49872538 1.30687480 9.07571739 1 Co Co15 1 3.62065063 -0.00000000 5.13356740 1 Co Co16 1 1.70880546 1.24859330 6.49237845 1 Co Co17 1 1.70880546 -1.24859330 6.49237845 1 Co Co18 1 0.00000000 0.00000000 0.00000000 1 Co Co19 1 5.49872538 1.30687480 1.19141742 1 Co Co20 1 5.49872538 -1.30687480 1.19141742 1 Co Co21 1 0.00000000 0.00000000 5.13356740 1 Co Co22 1 5.53249580 1.24859330 6.49237845 1 Co Co23 1 5.53249580 -1.24859330 6.49237845 1 Fe Fe24 1 3.62065063 2.46574417 0.00000000 1 Fe Fe25 1 3.62065063 -2.46574417 0.00000000 1 Fe Fe26 1 0.00000000 0.00000000 2.56144746 1 Fe Fe27 1 0.00000000 0.00000000 7.70568735 1 Hf Hf28 1 3.62065063 2.48376938 5.13356740 1 Hf Hf29 1 3.62065063 -2.48376938 5.13356740 1 Hf Hf30 1 3.62065063 -0.00000000 2.56486950 1 Hf Hf31 1 3.62065063 -0.00000000 7.70226531 1 [/CIF]
Co24Fe4Hf4
Cmmm
65
orthorhombic
mmm
10,260.300384
false
[CIF] data_VFe2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.62143691 _cell_length_b 3.49362548 _cell_length_c 5.25463978 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VFe2Ru _chemical_formula_sum 'V1 Fe2 Ru1' _cell_volume 48.12366620 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.31071845 1.74681274 0.06765638 1 Fe Fe1 1 0.00000000 0.00000000 1.20321309 1 Ru Ru2 1 1.31071845 1.74681274 2.56921850 1 V V3 1 0.00000000 0.00000000 4.04187170 1 [/CIF]
Fe2RuV
Pmm2
25
orthorhombic
mm2
9,099.195412
false
[CIF] data_BeBi2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00029369 _cell_length_b 5.00029369 _cell_length_c 3.53444079 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeBi2P _chemical_formula_sum 'Be1 Bi2 P1' _cell_volume 88.37140035 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Bi Bi1 1 0.00000000 2.50014685 1.76722040 1 Bi Bi2 1 2.50014685 0.00000000 1.76722040 1 P P3 1 2.50014685 2.50014685 0.00000000 1 [/CIF]
BeBi2P
P4/mmm
123
tetragonal
4/mmm
8,605.028955
false
[CIF] data_Be2NbRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.79278517 _cell_length_b 2.79278517 _cell_length_c 6.28519896 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 93.47515674 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2NbRu _chemical_formula_sum 'Be2 Nb1 Ru1' _cell_volume 48.93220247 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.17186890 1 Be Be1 1 1.91400986 0.00000000 5.07445557 1 Nb Nb2 1 0.00000000 0.00000000 3.22718091 1 Ru Ru3 1 1.91400986 0.00000000 1.23949202 1 [/CIF]
Be2NbRu
Cmm2
35
orthorhombic
mm2
7,194.35259
false
[CIF] data_LaSi2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00139338 _cell_length_b 4.00139338 _cell_length_c 4.51154429 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaSi2B _chemical_formula_sum 'La1 Si2 B1' _cell_volume 72.23500776 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 2.00069669 2.00069669 0.00000000 1 Si Si2 1 2.00069669 0.00000000 2.25577214 1 Si Si3 1 0.00000000 2.00069669 2.25577214 1 [/CIF]
BLaSi2
P4/mmm
123
tetragonal
4/mmm
4,732.943179
false
[CIF] data_KBeRePd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54131143 _cell_length_b 4.54131143 _cell_length_c 4.54131143 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KBeRePd _chemical_formula_sum 'K1 Be1 Re1 Pd1' _cell_volume 66.22605110 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 K K1 1 4.81678817 4.81678817 4.81678817 1 Pd Pd2 1 1.60559606 1.60559606 1.60559605 1 Re Re3 1 3.21119211 3.21119211 3.21119211 1 [/CIF]
BeKPdRe
F-43m
216
cubic
-43m
8,543.585054
false
[CIF] data_MgTi2Mn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43484978 _cell_length_b 4.43484978 _cell_length_c 4.43484978 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTi2Mn _chemical_formula_sum 'Mg1 Ti2 Mn1' _cell_volume 61.67678710 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.70386853 4.70386853 4.70386853 1 Ti Ti2 1 3.13591235 3.13591235 3.13591235 1 Ti Ti3 1 1.56795618 1.56795618 1.56795618 1 [/CIF]
MgMnTi2
F-43m
216
cubic
-43m
4,710.949332
false
[CIF] data_ZrTlReHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86374484 _cell_length_b 4.86374484 _cell_length_c 4.86374484 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTlReHg _chemical_formula_sum 'Zr1 Tl1 Re1 Hg1' _cell_volume 81.35745450 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.15878044 5.15878044 5.15878044 1 Re Re1 1 1.71959348 1.71959348 1.71959348 1 Tl Tl2 1 3.43918696 3.43918696 3.43918696 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgReTlZr
F-43m
216
cubic
-43m
13,928.152083
false
[CIF] data_NbBMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29838326 _cell_length_b 5.29838326 _cell_length_c 5.29838326 _cell_angle_alpha 148.49007621 _cell_angle_beta 148.49007621 _cell_angle_gamma 45.16243256 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbBMo _chemical_formula_sum 'Nb1 B1 Mo1' _cell_volume 40.50099977 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.67458489 1 Mo Mo1 1 0.00000000 -0.00000000 3.63045115 1 Nb Nb2 1 0.00000000 0.00000000 6.26371924 1 [/CIF]
BMoNb
I4mm
107
tetragonal
4mm
8,186.763094
false
[CIF] data_LiSiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.84375327 _cell_length_b 3.84375327 _cell_length_c 3.84375327 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiSiIr _chemical_formula_sum 'Li1 Si1 Ir1' _cell_volume 40.15609831 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.07691600 4.07691600 4.07691600 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Si Si2 1 1.35897200 1.35897200 1.35897200 1 [/CIF]
IrLiSi
F-43m
216
cubic
-43m
9,396.996354
false
[CIF] data_Al2InAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.02060075 _cell_length_b 6.02060075 _cell_length_c 3.09789571 _cell_angle_alpha 103.62757335 _cell_angle_beta 103.62757335 _cell_angle_gamma 124.58211402 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2InAg _chemical_formula_sum 'Al2 In1 Ag1' _cell_volume 79.70359601 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Al Al1 1 1.39973018 2.66508232 0.00000000 1 Al Al2 1 1.39973018 -2.66508232 0.00000000 1 In In3 1 2.79946036 -0.00000000 0.00000000 1 [/CIF]
AgAl2In
C2/m
12
monoclinic
2/m
5,763.691421
false
[CIF] data_ZnCoIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.76073044 _cell_length_b 5.76073044 _cell_length_c 5.76073044 _cell_angle_alpha 152.88142104 _cell_angle_beta 152.88142104 _cell_angle_gamma 38.72751287 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCoIr _chemical_formula_sum 'Zn1 Co1 Ir1' _cell_volume 39.65604045 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.82262442 1 Ir Ir1 1 -0.00000000 0.00000000 3.71987929 1 Zn Zn2 1 0.00000000 0.00000000 7.19693953 1 [/CIF]
CoIrZn
I4mm
107
tetragonal
4mm
13,254.24194
false
[CIF] data_Ca3HfBe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.75496105 _cell_length_b 5.75496105 _cell_length_c 5.75496105 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca3HfBe _chemical_formula_sum 'Ca3 Hf1 Be1' _cell_volume 190.60187383 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ca Ca1 1 2.87748053 0.00000000 2.87748053 1 Ca Ca2 1 2.87748053 2.87748053 0.00000000 1 Ca Ca3 1 0.00000000 2.87748053 2.87748053 1 Hf Hf4 1 2.87748053 2.87748053 2.87748053 1 [/CIF]
BeCa3Hf
Pm-3m
221
cubic
m-3m
2,681.022711
false
[CIF] data_TiAlSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34173096 _cell_length_b 3.86675513 _cell_length_c 8.68051143 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiAlSi _chemical_formula_sum 'Ti4 Al4 Si4' _cell_volume 179.29740102 _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 Al Al0 1 1.85666934 0.96668878 6.75934472 1 Al Al1 1 0.81419614 2.90006635 2.41908901 1 Al Al2 1 3.48506162 2.90006635 1.92116671 1 Al Al3 1 4.52753482 0.96668878 6.26142242 1 Si Si4 1 4.63677893 0.96668878 0.54564818 1 Si Si5 1 3.37581751 2.90006635 4.88590390 1 Si Si6 1 0.70495203 2.90006635 8.13486325 1 Si Si7 1 1.96591345 0.96668878 3.79460753 1 Ti Ti8 1 4.62930275 0.96668878 3.36089212 1 Ti Ti9 1 3.38329369 2.90006635 7.70114783 1 Ti Ti10 1 0.71242821 2.90006635 5.31961931 1 Ti Ti11 1 1.95843727 0.96668878 0.97936360 1 [/CIF]
Al4Si4Ti4
Pnma
62
orthorhombic
mmm
3,813.23971
false
[CIF] data_AlTcPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01619076 _cell_length_b 5.01619076 _cell_length_c 3.49849854 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 104.62340799 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlTcPb2 _chemical_formula_sum 'Al1 Tc1 Pb2' _cell_volume 85.17818586 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 1.53336274 1.98477736 1.74924927 1 Pb Pb2 1 1.53336274 -1.98477736 1.74924927 1 Tc Tc3 1 3.06672548 -0.00000000 0.00000000 1 [/CIF]
AlPb2Tc
Cmmm
65
orthorhombic
mmm
10,532.848147
false
[CIF] data_K2InPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.34614942 _cell_length_b 11.34614942 _cell_length_c 11.34614942 _cell_angle_alpha 18.10385927 _cell_angle_beta 18.10385927 _cell_angle_gamma 18.10385927 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2InPd _chemical_formula_sum 'K2 In1 Pd1' _cell_volume 123.15991292 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 16.73602118 1 K K1 1 0.00000000 -0.00000000 8.75462339 1 K K2 1 0.00000000 0.00000000 24.71741897 1 Pd Pd3 1 -0.00000000 0.00000000 -0.00000000 1 [/CIF]
InK2Pd
R-3m
166
trigonal
-3m
4,037.213401
false
[CIF] data_BaMnCdRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95788338 _cell_length_b 4.95788338 _cell_length_c 4.95788338 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMnCdRu _chemical_formula_sum 'Ba1 Mn1 Cd1 Ru1' _cell_volume 86.17353797 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.50575296 3.50575296 3.50575296 1 Cd Cd1 1 1.75287648 1.75287648 1.75287648 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Ru Ru3 1 5.25862944 5.25862944 5.25862944 1 [/CIF]
BaCdMnRu
F-43m
216
cubic
-43m
7,818.608528
false
[CIF] data_Bi2SbMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15170363 _cell_length_b 5.15170363 _cell_length_c 6.86976585 _cell_angle_alpha 108.15031893 _cell_angle_beta 108.15031893 _cell_angle_gamma 39.61281740 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi2SbMo _chemical_formula_sum 'Bi2 Sb1 Mo1' _cell_volume 109.69220718 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.53362672 -0.00000000 0.18970508 1 Bi Bi1 1 0.07836713 -0.00000000 4.66218265 1 Mo Mo2 1 4.21677622 -0.00000000 2.43470776 1 Sb Sb3 1 6.99410085 -0.00000000 2.43683408 1 [/CIF]
Bi2MoSb
Cm
8
monoclinic
m
9,623.04278
false
[CIF] data_MnCr2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88568816 _cell_length_b 4.88568816 _cell_length_c 2.71972696 _cell_angle_alpha 100.50909980 _cell_angle_beta 100.50909980 _cell_angle_gamma 116.63385974 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCr2Sb _chemical_formula_sum 'Mn1 Cr2 Sb1' _cell_volume 54.41958503 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.81079533 -2.07877809 1.27523411 1 Cr Cr1 1 0.81079533 2.07877809 1.27523411 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Sb Sb3 1 2.56606225 0.00000000 0.00000000 1 [/CIF]
Cr2MnSb
C2/m
12
monoclinic
2/m
8,564.8782
false
[CIF] data_Na2NiPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90040028 _cell_length_b 4.90040028 _cell_length_c 4.90040028 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2NiPb _chemical_formula_sum 'Na2 Ni1 Pb1' _cell_volume 83.21079489 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.73255314 1.73255314 1.73255314 1 Ni Ni2 1 3.46510627 3.46510627 3.46510627 1 Pb Pb3 1 5.19765941 5.19765941 5.19765941 1 [/CIF]
Na2NiPb
F-43m
216
cubic
-43m
6,223.678057
false
[CIF] data_K2YMn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.96472314 _cell_length_b 5.96472314 _cell_length_c 5.96472314 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2YMn _chemical_formula_sum 'K2 Y1 Mn1' _cell_volume 150.05686660 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.32654427 6.32654427 6.32654427 1 K K1 1 2.10884809 2.10884809 2.10884809 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 4.21769618 4.21769618 4.21769618 1 [/CIF]
K2MnY
Fm-3m
225
cubic
m-3m
2,457.11459
false
[CIF] data_CuMo2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93630470 _cell_length_b 4.93630470 _cell_length_c 2.68856701 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 114.99011072 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuMo2Pt _chemical_formula_sum 'Cu1 Mo2 Pt1' _cell_volume 59.37935031 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 1.32631693 2.08150413 1.34428351 1 Mo Mo2 1 1.32631693 -2.08150412 1.34428351 1 Pt Pt3 1 2.65263386 -0.00000000 0.00000000 1 [/CIF]
CuMo2Pt
Cmmm
65
orthorhombic
mmm
12,599.596873
false
[CIF] data_Y2SnOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40671444 _cell_length_b 3.40671444 _cell_length_c 8.19393328 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2SnOs _chemical_formula_sum 'Y2 Sn1 Os1' _cell_volume 95.09635831 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Os Os0 1 0.00000000 0.00000000 4.09696664 1 Sn Sn1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 1.70335722 1.70335722 2.41931894 1 Y Y3 1 1.70335722 1.70335722 5.77461434 1 [/CIF]
OsSnY2
P4/mmm
123
tetragonal
4/mmm
8,499.486499
false
[CIF] data_Ce2AlGe6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.03626729 _cell_length_b 6.03626729 _cell_length_c 10.67514292 _cell_angle_alpha 98.08169547 _cell_angle_beta 98.08169547 _cell_angle_gamma 91.33126229 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce2AlGe6 _chemical_formula_sum 'Ce4 Al2 Ge12' _cell_volume 380.91056029 _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 Ce Ce0 1 2.07701403 2.17002153 6.93885973 1 Ce Ce1 1 2.07701403 -2.17002153 6.93885973 1 Ce Ce2 1 4.21231597 -2.17002153 3.51804927 1 Ce Ce3 1 4.21231597 2.17002153 3.51804927 1 Al Al4 1 -0.03675085 0.00000000 8.37980088 1 Al Al5 1 6.32608085 0.00000000 2.07710812 1 Ge Ge6 1 6.25505298 -0.00000000 4.57783608 1 Ge Ge7 1 0.03427702 0.00000000 5.87907292 1 Ge Ge8 1 4.13228141 0.00000000 6.11162412 1 Ge Ge9 1 2.15704859 0.00000000 4.34528488 1 Ge Ge10 1 4.17952716 -1.85316275 9.24315466 1 Ge Ge11 1 4.17952716 1.85316275 9.24315466 1 Ge Ge12 1 2.10980284 1.85316275 1.21375434 1 Ge Ge13 1 2.10980284 -1.85316275 1.21375434 1 Ge Ge14 1 5.97113053 0.00000000 9.24329060 1 Ge Ge15 1 0.31819947 0.00000000 1.21361840 1 Ge Ge16 1 2.38977819 -0.00000000 9.24002804 1 Ge Ge17 1 3.89955181 0.00000000 1.21688096 1 [/CIF]
Al2Ce4Ge12
C2/m
12
monoclinic
2/m
6,478.525712
false
[CIF] data_CdP2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.46119622 _cell_length_b 3.46119622 _cell_length_c 5.65762800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdP2Rh _chemical_formula_sum 'Cd1 P2 Rh1' _cell_volume 67.77770022 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 2.82881400 1 P P1 1 1.73059811 1.73059811 4.59024202 1 P P2 1 1.73059811 1.73059811 1.06738598 1 Rh Rh3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdP2Rh
P4/mmm
123
tetragonal
4/mmm
6,792.991427
false
[CIF] data_MnPd2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.72019220 _cell_length_b 2.72019220 _cell_length_c 7.71789540 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnPd2Pt _chemical_formula_sum 'Mn1 Pd2 Pt1' _cell_volume 57.10814715 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.77179396 1 Pd Pd1 1 1.36009610 1.36009610 7.55349720 1 Pd Pd2 1 0.00000000 0.00000000 1.92679319 1 Pt Pt3 1 1.36009610 1.36009610 4.04265414 1 [/CIF]
MnPd2Pt
P4mm
99
tetragonal
4mm
13,458.706562
false
[CIF] data_PrMg2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97767819 _cell_length_b 4.97767819 _cell_length_c 4.97767819 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PrMg2Au _chemical_formula_sum 'Pr1 Mg2 Au1' _cell_volume 87.20983172 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.51975000 3.51975000 3.51975000 1 Mg Mg1 1 1.75987500 1.75987500 1.75987500 1 Mg Mg2 1 5.27962500 5.27962500 5.27962500 1 Pr Pr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuMg2Pr
Fm-3m
225
cubic
m-3m
7,358.942583
false
[CIF] data_MnAl2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56020143 _cell_length_b 4.56020143 _cell_length_c 2.87221685 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnAl2Ge _chemical_formula_sum 'Mn1 Al2 Ge1' _cell_volume 59.72900479 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.28010072 1.43610843 1 Al Al1 1 2.28010072 0.00000000 1.43610843 1 Ge Ge2 1 2.28010072 2.28010072 0.00000000 1 Mn Mn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al2GeMn
P4/mmm
123
tetragonal
4/mmm
5,047.064264
false
[CIF] data_SrTlCoAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07885167 _cell_length_b 5.07885167 _cell_length_c 5.07885167 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTlCoAu _chemical_formula_sum 'Sr1 Tl1 Co1 Au1' _cell_volume 92.63638334 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 1.79564523 1.79564523 1.79564523 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 3.59129046 3.59129046 3.59129046 1 Tl Tl3 1 5.38693569 5.38693569 5.38693569 1 [/CIF]
AuCoSrTl
F-43m
216
cubic
-43m
9,821.351068
false
[CIF] data_K2LiV _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40614337 _cell_length_b 5.68929302 _cell_length_c 7.44173565 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2LiV _chemical_formula_sum 'K2 Li1 V1' _cell_volume 144.21002926 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.70307169 2.84464651 5.50849194 1 K K1 1 1.70307169 2.84464651 1.93324371 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 0.00000000 0.00000000 3.72086783 1 [/CIF]
K2LiV
Pmmm
47
orthorhombic
mmm
1,566.913639
false
[CIF] data_Sn2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49474265 _cell_length_b 4.49474265 _cell_length_c 3.58912573 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sn2Pt _chemical_formula_sum 'Sn2 Pt1' _cell_volume 72.51007162 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pt Pt0 1 0.00000000 0.00000000 0.00000000 1 Sn Sn1 1 0.00000000 2.24737133 1.79456286 1 Sn Sn2 1 2.24737133 0.00000000 1.79456286 1 [/CIF]
PtSn2
P4/mmm
123
tetragonal
4/mmm
9,904.690099
false
[CIF] data_LaAlSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.21992347 _cell_length_b 6.21992347 _cell_length_c 6.21992347 _cell_angle_alpha 138.75312399 _cell_angle_beta 136.84315007 _cell_angle_gamma 61.22575502 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaAlSb2 _chemical_formula_sum 'La1 Al1 Sb2' _cell_volume 107.30785075 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.26813357 1 La La1 1 -0.00000000 2.28752871 2.66068739 1 Sb Sb2 1 0.00000000 0.00000000 0.03042356 1 Sb Sb3 1 2.19080964 0.00000000 2.74683104 1 [/CIF]
AlLaSb2
Imm2
44
orthorhombic
mm2
6,335.382986
false
[CIF] data_OsN3F _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.81530662 _cell_length_b 3.81530662 _cell_length_c 3.81530662 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural OsN3F _chemical_formula_sum 'Os1 N3 F1' _cell_volume 55.53775730 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N N0 1 1.90765331 0.00000000 1.90765331 1 N N1 1 1.90765331 1.90765331 0.00000000 1 N N2 1 0.00000000 1.90765331 1.90765331 1 Os Os3 1 1.90765331 1.90765331 1.90765331 1 F F4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
FN3Os
Pm-3m
221
cubic
m-3m
7,512.149847
false
[CIF] data_ScTa2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34638083 _cell_length_b 5.34638083 _cell_length_c 5.34638083 _cell_angle_alpha 141.99446927 _cell_angle_beta 126.19938655 _cell_angle_gamma 67.75620705 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTa2Se _chemical_formula_sum 'Sc1 Ta2 Se1' _cell_volume 74.76510592 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sc Sc0 1 -0.00000000 0.00000000 4.47833126 1 Se Se1 1 0.00000000 2.41891378 2.29971400 1 Ta Ta2 1 -0.00000000 0.00000000 8.83358285 1 Ta Ta3 1 1.74085532 -0.00000000 2.14317601 1 [/CIF]
ScSeTa2
Imm2
44
orthorhombic
mm2
10,789.916638
false
[CIF] data_KMgZrCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25789483 _cell_length_b 5.25789483 _cell_length_c 5.25789483 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KMgZrCd _chemical_formula_sum 'K1 Mg1 Zr1 Cd1' _cell_volume 102.78285748 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.57683964 5.57683964 5.57683964 1 K K1 1 1.85894655 1.85894655 1.85894654 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 3.71789309 3.71789309 3.71789309 1 [/CIF]
CdKMgZr
F-43m
216
cubic
-43m
4,314.21679
false
[CIF] data_HfNbNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37801424 _cell_length_b 4.37801424 _cell_length_c 4.37801424 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfNbNi2 _chemical_formula_sum 'Hf1 Nb1 Ni2' _cell_volume 59.33576047 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.54786178 1.54786178 1.54786178 1 Nb Nb1 1 3.09572356 3.09572356 3.09572356 1 Ni Ni2 1 4.64358534 4.64358534 4.64358534 1 Ni Ni3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfNbNi2
F-43m
216
cubic
-43m
10,880.27951
false
[CIF] data_Sc2AgPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.06973765 _cell_length_b 7.06973765 _cell_length_c 7.06973765 _cell_angle_alpha 31.70683783 _cell_angle_beta 31.70683783 _cell_angle_gamma 31.70683783 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2AgPt _chemical_formula_sum 'Sc2 Ag1 Pt1' _cell_volume 86.68244221 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 0.00000000 0.00000000 10.06320122 1 Sc Sc2 1 -0.00000000 -0.00000000 4.83118834 1 Sc Sc3 1 -0.00000000 0.00000000 15.29521411 1 [/CIF]
AgPtSc2
R-3m
166
trigonal
-3m
7,525.930777
false
[CIF] data_SrNbMoRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74756928 _cell_length_b 4.74756928 _cell_length_c 4.74756928 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrNbMoRh _chemical_formula_sum 'Sr1 Nb1 Mo1 Rh1' _cell_volume 75.66567913 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.35703843 3.35703843 3.35703843 1 Nb Nb1 1 5.03555765 5.03555765 5.03555765 1 Rh Rh2 1 1.67851922 1.67851922 1.67851922 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
MoNbRhSr
F-43m
216
cubic
-43m
8,326.034281
false
[CIF] data_BaBOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.71809308 _cell_length_b 3.71809308 _cell_length_c 5.66077844 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaBOs2 _chemical_formula_sum 'Ba1 B1 Os2' _cell_volume 78.25582474 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.85904654 1.85904654 0.00000000 1 Os Os2 1 1.85904654 0.00000000 2.83038922 1 Os Os3 1 0.00000000 1.85904654 2.83038922 1 [/CIF]
BBaOs2
P4/mmm
123
tetragonal
4/mmm
11,216.514968
false
[CIF] data_YMo2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22431004 _cell_length_b 3.22431004 _cell_length_c 7.19778403 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YMo2W _chemical_formula_sum 'Y1 Mo2 W1' _cell_volume 74.82942407 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.61215502 1.61215502 2.10005930 1 Mo Mo1 1 1.61215502 1.61215502 5.09772473 1 W W2 1 0.00000000 0.00000000 3.59889202 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mo2WY
P4/mmm
123
tetragonal
4/mmm
10,311.395636
false
[CIF] data_Ge5P2Ru3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.60450915 _cell_length_b 8.60450915 _cell_length_c 8.60450915 _cell_angle_alpha 109.27954842 _cell_angle_beta 83.01079699 _cell_angle_gamma 142.32636232 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ge5P2Ru3 _chemical_formula_sum 'Ge10 P4 Ru6' _cell_volume 356.57929063 _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 Ge Ge0 1 0.00000000 -0.00000000 4.16725785 1 Ge Ge1 1 0.00000000 0.00000000 1.38908595 1 Ge Ge2 1 0.00000000 3.97879935 1.38908595 1 Ge Ge3 1 0.00000000 8.90891889 1.38908595 1 Ge Ge4 1 4.97956005 2.46505977 1.38908595 1 Ge Ge5 1 4.97956005 -2.46505977 1.38908595 1 Ge Ge6 1 2.95875245 0.66889262 2.77817190 1 Ge Ge7 1 2.02080760 5.77496650 -0.00000000 1 Ge Ge8 1 7.00036765 0.66889262 0.00000000 1 Ge Ge9 1 -2.02080760 5.77496650 2.77817190 1 P P10 1 2.61795241 4.35648012 2.77817190 1 P P11 1 2.36160764 2.08737900 0.00000000 1 P P12 1 2.36160764 -2.08737900 2.77817190 1 P P13 1 2.61795241 8.53123812 -0.00000000 1 Ru Ru14 1 -0.00000000 6.44385912 1.38908595 1 Ru Ru15 1 4.97956005 -0.00000000 1.38908595 1 Ru Ru16 1 1.06027143 2.13758027 2.77817190 1 Ru Ru17 1 3.91928862 4.30627885 0.00000000 1 Ru Ru18 1 3.91928862 -4.30627885 2.77817190 1 Ru Ru19 1 1.06027143 10.75013797 0.00000000 1 [/CIF]
Ge10P4Ru6
Ibam
72
orthorhombic
mmm
6,783.714898
false
[CIF] data_Ta2MnGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.66662094 _cell_length_b 4.03111185 _cell_length_c 4.27890970 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2MnGe _chemical_formula_sum 'Ta2 Mn1 Ge1' _cell_volume 63.24467779 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 1.83331047 0.00000000 2.13945485 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 0.00000000 2.01555593 2.13945485 1 Ta Ta3 1 1.83331047 2.01555593 0.00000000 1 [/CIF]
GeMnTa2
Pmmm
47
orthorhombic
mmm
12,851.522114
false
[CIF] data_CrGeTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.31790665 _cell_length_b 3.31790665 _cell_length_c 7.41199995 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrGeTe2 _chemical_formula_sum 'Cr1 Ge1 Te2' _cell_volume 81.59503533 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 0.00000000 0.00000000 3.70599998 1 Te Te2 1 1.65895333 1.65895333 5.84362002 1 Te Te3 1 1.65895333 1.65895333 1.56837993 1 [/CIF]
CrGeTe2
P4/mmm
123
tetragonal
4/mmm
7,730.044926
false
[CIF] data_YMgHgAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93992830 _cell_length_b 4.93992830 _cell_length_c 4.93992830 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YMgHgAu _chemical_formula_sum 'Y1 Mg1 Hg1 Au1' _cell_volume 85.24068650 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 1.74652840 1.74652840 1.74652840 1 Hg Hg1 1 3.49305680 3.49305680 3.49305680 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 5.23958520 5.23958520 5.23958520 1 [/CIF]
AuHgMgY
F-43m
216
cubic
-43m
9,950.051883
false
[CIF] data_In2TcTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59470295 _cell_length_b 3.59470295 _cell_length_c 6.75539849 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2TcTe _chemical_formula_sum 'In2 Tc1 Te1' _cell_volume 87.29251170 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.79735148 1.79735148 5.33397888 1 In In1 1 1.79735148 1.79735148 1.42141961 1 Tc Tc2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 0.00000000 0.00000000 3.37769924 1 [/CIF]
In2TcTe
P4/mmm
123
tetragonal
4/mmm
8,677.34202
false
[CIF] data_ZrAgMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01334533 _cell_length_b 5.01334533 _cell_length_c 5.48592934 _cell_angle_alpha 93.81190766 _cell_angle_beta 93.81190766 _cell_angle_gamma 31.18883999 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrAgMo2 _chemical_formula_sum 'Zr1 Ag1 Mo2' _cell_volume 71.23299035 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.12194663 0.00000000 1.38578462 1 Mo Mo1 1 -0.29877824 -0.00000000 5.37428110 1 Mo Mo2 1 2.12173296 -0.00000000 4.22471612 1 Zr Zr3 1 4.59486692 0.00000000 2.69733348 1 [/CIF]
AgMo2Zr
Cm
8
monoclinic
m
9,115.032661
false
[CIF] data_Sc4HgAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.72668683 _cell_length_b 5.72668683 _cell_length_c 5.72668683 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc4HgAu _chemical_formula_sum 'Sc4 Hg1 Au1' _cell_volume 132.79915251 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 0.00000000 0.00000000 0.00000000 1 Hg Hg1 1 2.02468955 2.02468955 2.02468955 1 Sc Sc2 1 3.03807271 3.03807271 5.06068547 1 Sc Sc3 1 3.03807271 5.06068547 3.03807271 1 Sc Sc4 1 5.06068547 3.03807271 3.03807271 1 Sc Sc5 1 5.06068547 5.06068547 5.06068547 1 [/CIF]
AuHgSc4
F-43m
216
cubic
-43m
7,219.642509
false
[CIF] data_CaGe2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24940344 _cell_length_b 5.24940344 _cell_length_c 3.33207008 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaGe2Cl _chemical_formula_sum 'Ca1 Ge2 Cl1' _cell_volume 91.81931108 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.62470172 2.62470172 0.00000000 1 Cl Cl1 1 0.00000000 0.00000000 0.00000000 1 Ge Ge2 1 0.00000000 2.62470172 1.66603504 1 Ge Ge3 1 2.62470172 0.00000000 1.66603504 1 [/CIF]
CaClGe2
P4/mmm
123
tetragonal
4/mmm
3,993.335253
false
[CIF] data_LaBeIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23151946 _cell_length_b 4.23151946 _cell_length_c 3.84183607 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaBeIr2 _chemical_formula_sum 'La1 Be1 Ir2' _cell_volume 68.79098287 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 0.00000000 2.11575973 1.92091803 1 Ir Ir2 1 2.11575973 0.00000000 1.92091803 1 La La3 1 2.11575973 2.11575973 0.00000000 1 [/CIF]
BeIr2La
P4/mmm
123
tetragonal
4/mmm
12,850.386466
false
[CIF] data_Hf2VB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26166794 _cell_length_b 4.26166794 _cell_length_c 3.40634580 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2VB _chemical_formula_sum 'Hf2 V1 B1' _cell_volume 61.86541750 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 0.00000000 2.13083397 1.70317290 1 Hf Hf2 1 2.13083397 0.00000000 1.70317290 1 V V3 1 2.13083397 2.13083397 0.00000000 1 [/CIF]
BHf2V
P4/mmm
123
tetragonal
4/mmm
11,239.337474
false
[CIF] data_SrHfPt4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42579346 _cell_length_b 5.42579346 _cell_length_c 5.42579346 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrHfPt4 _chemical_formula_sum 'Sr1 Hf1 Pt4' _cell_volume 112.94701970 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.91830768 1.91830768 1.91830768 1 Pt Pt1 1 2.87925743 2.87925743 4.79397327 1 Pt Pt2 1 2.87925743 4.79397327 2.87925743 1 Pt Pt3 1 4.79397327 2.87925743 2.87925743 1 Pt Pt4 1 4.79397327 4.79397327 4.79397327 1 Sr Sr5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfPt4Sr
F-43m
216
cubic
-43m
15,384.774815
false
[CIF] data_Mg2Zn2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.97669486 _cell_length_b 6.97669486 _cell_length_c 4.02816748 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2Zn2Se _chemical_formula_sum 'Mg4 Zn4 Se2' _cell_volume 196.06811624 _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 Mg Mg0 1 1.16740868 4.65575611 2.01408374 1 Mg Mg1 1 5.80928618 2.32093875 2.01408374 1 Mg Mg2 1 2.32093875 1.16740868 2.01408374 1 Mg Mg3 1 4.65575611 5.80928618 2.01408374 1 Se Se4 1 0.00000000 0.00000000 0.00000000 1 Se Se5 1 3.48834743 3.48834743 0.00000000 1 Zn Zn6 1 2.58629427 6.07464170 0.00000000 1 Zn Zn7 1 4.39040059 0.90205316 0.00000000 1 Zn Zn8 1 0.90205316 2.58629427 0.00000000 1 Zn Zn9 1 6.07464170 4.39040059 0.00000000 1 [/CIF]
Mg4Se2Zn4
P4/mbm
127
tetragonal
4/mmm
4,375.694175
false
[CIF] data_BaLiBe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21788624 _cell_length_b 5.21788624 _cell_length_c 3.31813760 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLiBe2 _chemical_formula_sum 'Ba1 Li1 Be2' _cell_volume 90.34073189 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.60894312 2.60894312 0.00000000 1 Be Be1 1 2.60894312 0.00000000 1.65906880 1 Be Be2 1 0.00000000 2.60894312 1.65906880 1 Li Li3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaBe2Li
P4/mmm
123
tetragonal
4/mmm
2,983.070925
false
[CIF] data_AlGe2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61892159 _cell_length_b 3.61892159 _cell_length_c 6.46815962 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlGe2Te _chemical_formula_sum 'Al1 Ge2 Te1' _cell_volume 84.71085707 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 1.80946079 1.80946079 1.35865232 1 Ge Ge2 1 1.80946079 1.80946079 5.10950730 1 Te Te3 1 0.00000000 0.00000000 3.23407981 1 [/CIF]
AlGe2Te
P4/mmm
123
tetragonal
4/mmm
5,878.016309
false
[CIF] data_ZrAl2Cu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98219778 _cell_length_b 4.98219778 _cell_length_c 8.91902607 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrAl2Cu3 _chemical_formula_sum 'Zr2 Al4 Cu6' _cell_volume 191.72996522 _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 Al Al0 1 2.49109889 1.43823662 5.02027067 1 Al Al1 1 0.00000000 2.87647323 0.56075763 1 Al Al2 1 0.00000000 2.87647323 3.89875540 1 Al Al3 1 2.49109889 1.43823662 8.35826844 1 Cu Cu4 1 1.21428873 3.57754316 6.68926955 1 Cu Cu5 1 -1.21428873 3.57754316 6.68926955 1 Cu Cu6 1 -0.00000000 1.47433338 6.68926955 1 Cu Cu7 1 1.27681016 0.73716669 2.22975652 1 Cu Cu8 1 3.70538763 0.73716669 2.22975652 1 Cu Cu9 1 2.49109889 2.84037647 2.22975652 1 Zr Zr10 1 0.00000000 0.00000000 4.45951303 1 Zr Zr11 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al4Cu6Zr2
P6_3/mmc
194
hexagonal
6/mmm
5,817.08475
false
[CIF] data_SrDy2Y _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.86239322 _cell_length_b 5.86239322 _cell_length_c 5.86239322 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrDy2Y _chemical_formula_sum 'Sr1 Dy2 Y1' _cell_volume 142.46554321 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Dy Dy0 1 2.07266900 2.07266900 2.07266900 1 Dy Dy1 1 6.21800700 6.21800700 6.21800700 1 Sr Sr2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 4.14533800 4.14533800 4.14533800 1 [/CIF]
Dy2SrY
Fm-3m
225
cubic
m-3m
5,845.646941
false
[CIF] data_SrNb2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.41151099 _cell_length_b 3.49382561 _cell_length_c 7.46075748 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.75658630 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrNb2Si _chemical_formula_sum 'Sr1 Nb2 Si1' _cell_volume 88.88465417 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.36078512 0.00000000 0.59024705 1 Nb Nb1 1 1.61470301 1.74691281 1.94838592 1 Si Si2 1 -0.09722328 0.00000000 3.20790981 1 Sr Sr3 1 1.60171065 1.74691281 5.43933444 1 [/CIF]
Nb2SiSr
Pm
6
monoclinic
m
5,632.95042
false
[CIF] data_La3Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85802696 _cell_length_b 3.85802696 _cell_length_c 10.42045417 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La3Ge _chemical_formula_sum 'La3 Ge1' _cell_volume 134.32220014 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 0.00000000 0.00000000 5.21022708 1 La La2 1 1.92901348 1.11371645 2.19203371 1 La La3 1 1.92901348 1.11371645 8.22842046 1 [/CIF]
GeLa3
P-6m2
187
hexagonal
-6m2
6,049.598919
false
[CIF] data_FeHgAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71956223 _cell_length_b 4.71956223 _cell_length_c 4.71956223 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeHgAs2 _chemical_formula_sum 'Fe1 Hg1 As2' _cell_volume 74.33445368 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 5.00585169 5.00585169 5.00585169 1 As As1 1 1.66861723 1.66861723 1.66861723 1 Fe Fe2 1 0.00000000 0.00000000 0.00000000 1 Hg Hg3 1 3.33723446 3.33723446 3.33723446 1 [/CIF]
As2FeHg
Fm-3m
225
cubic
m-3m
9,075.748722
false
[CIF] data_Tc2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.58110498 _cell_length_b 3.58110498 _cell_length_c 4.91400146 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tc2Bi _chemical_formula_sum 'Tc2 Bi1' _cell_volume 63.01869220 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Tc Tc1 1 0.00000000 1.79055249 2.45700073 1 Tc Tc2 1 1.79055249 0.00000000 2.45700073 1 [/CIF]
BiTc2
P4/mmm
123
tetragonal
4/mmm
10,718.967861
false
[CIF] data_HfCrRh3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70202063 _cell_length_b 4.70202063 _cell_length_c 4.70202063 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCrRh3 _chemical_formula_sum 'Hf1 Cr1 Rh3' _cell_volume 103.95696473 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.35101031 0.00000000 2.35101031 1 Rh Rh1 1 2.35101031 2.35101031 0.00000000 1 Rh Rh2 1 0.00000000 2.35101031 2.35101031 1 Hf Hf3 1 2.35101031 2.35101031 2.35101031 1 Cr Cr4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CrHfRh3
Pm-3m
221
cubic
m-3m
8,612.861913
false
[CIF] data_VFeNiSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28751787 _cell_length_b 4.28751787 _cell_length_c 4.28751787 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VFeNiSn _chemical_formula_sum 'V1 Fe1 Ni1 Sn1' _cell_volume 55.73176940 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.51586648 1.51586648 1.51586648 1 Ni Ni1 1 4.54759944 4.54759944 4.54759944 1 Sn Sn2 1 3.03173296 3.03173296 3.03173296 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
FeNiSnV
F-43m
216
cubic
-43m
8,467.494148
false
[CIF] data_Mn2IrOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52620615 _cell_length_b 4.52620615 _cell_length_c 2.64917433 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 108.15899419 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2IrOs _chemical_formula_sum 'Mn2 Ir1 Os1' _cell_volume 51.56940212 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.65535400 -0.00000000 0.00000000 1 Mn Mn1 1 1.32767700 -1.83273274 1.32458716 1 Mn Mn2 1 1.32767700 1.83273275 1.32458716 1 Os Os3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrMn2Os
Cmmm
65
orthorhombic
mmm
15,852.844725
false
[CIF] data_ZnBiB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.67272775 _cell_length_b 3.67272775 _cell_length_c 4.76091855 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnBiB _chemical_formula_sum 'Zn1 Bi1 B1' _cell_volume 55.61588532 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.55019349 1 Bi Bi1 1 1.83636387 1.06022518 1.22666647 1 Zn Zn2 1 -0.00000000 2.12045035 3.74497714 1 [/CIF]
BBiZn
P3m1
156
trigonal
3m
8,514.442377
false
[CIF] data_Li2ZrCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.80224176 _cell_length_b 2.80224176 _cell_length_c 8.78142952 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2ZrCu _chemical_formula_sum 'Li2 Zr1 Cu1' _cell_volume 68.95669237 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Li Li1 1 1.40112088 1.40112088 1.83107831 1 Li Li2 1 1.40112088 1.40112088 6.95035121 1 Zr Zr3 1 0.00000000 0.00000000 4.39071476 1 [/CIF]
CuLi2Zr
P4/mmm
123
tetragonal
4/mmm
4,061.291588
false
[CIF] data_LaYPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32223493 _cell_length_b 5.32223493 _cell_length_c 5.32223493 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaYPb _chemical_formula_sum 'La1 Y1 Pb1' _cell_volume 106.60243501 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.64508261 5.64508261 5.64508261 1 Pb Pb1 1 1.88169420 1.88169420 1.88169421 1 Y Y2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
LaPbY
F-43m
216
cubic
-43m
6,776.142508
false
[CIF] data_KBa2Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.74328233 _cell_length_b 5.74328233 _cell_length_c 4.83170884 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KBa2Co _chemical_formula_sum 'K1 Ba2 Co1' _cell_volume 159.37532657 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.87164117 2.41585442 1 Ba Ba1 1 2.87164117 0.00000000 2.41585442 1 Co Co2 1 2.87164117 2.87164117 0.00000000 1 K K3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ba2CoK
P4/mmm
123
tetragonal
4/mmm
3,883.027802
false
[CIF] data_CrH _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.68519814 _cell_length_b 2.68519814 _cell_length_c 4.65010000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrH _chemical_formula_sum 'Cr2 H2' _cell_volume 29.03658909 _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 Cr Cr0 1 0.00000000 0.00000000 0.00000000 1 Cr Cr1 1 0.00000000 0.00000000 2.32505000 1 H H2 1 1.34259907 0.77514993 3.48757500 1 H H3 1 0.00000000 1.55029987 1.16252500 1 [/CIF]
Cr2H2
P6_3/mmc
194
hexagonal
6/mmm
6,062.370193
false
[CIF] data_BaLaB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85165317 _cell_length_b 3.85165317 _cell_length_c 6.62597322 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLaB2 _chemical_formula_sum 'Ba1 La1 B2' _cell_volume 98.29785089 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 1.92582659 1.92582659 4.11576700 1 B B1 1 1.92582659 1.92582659 2.51020622 1 Ba Ba2 1 0.00000000 0.00000000 0.00000000 1 La La3 1 0.00000000 0.00000000 3.31298661 1 [/CIF]
B2BaLa
P4/mmm
123
tetragonal
4/mmm
5,031.63578
false
[CIF] data_HfNbFePd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50159169 _cell_length_b 4.50159169 _cell_length_c 4.50159169 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfNbFePd _chemical_formula_sum 'Hf1 Nb1 Fe1 Pd1' _cell_volume 64.50350342 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.18310601 3.18310601 3.18310601 1 Nb Nb2 1 1.59155300 1.59155300 1.59155301 1 Pd Pd3 1 4.77465902 4.77465901 4.77465902 1 [/CIF]
FeHfNbPd
F-43m
216
cubic
-43m
11,163.915523
false
[CIF] data_NaTi2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.47697807 _cell_length_b 5.47697807 _cell_length_c 3.06807912 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 114.52662934 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTi2Pb _chemical_formula_sum 'Na1 Ti2 Pb1' _cell_volume 83.72967859 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 2.96183479 0.00000000 0.00000000 1 Ti Ti2 1 1.48091740 -2.30352032 1.53403956 1 Ti Ti3 1 1.48091739 2.30352032 1.53403956 1 [/CIF]
NaPbTi2
Cmmm
65
orthorhombic
mmm
6,463.767218
false
[CIF] data_BeTcB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28904342 _cell_length_b 4.28904342 _cell_length_c 4.28904342 _cell_angle_alpha 142.48600677 _cell_angle_beta 142.48600677 _cell_angle_gamma 54.09738829 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeTcB _chemical_formula_sum 'Be1 Tc1 B1' _cell_volume 29.06328743 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.01514670 1 Be Be1 1 0.00000000 -0.00000000 4.96929321 1 Tc Tc2 1 0.00000000 -0.00000000 2.65537887 1 [/CIF]
BBeTc
I4mm
107
tetragonal
4mm
6,783.63649
false
[CIF] data_TiMnCdMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53378352 _cell_length_b 4.53378352 _cell_length_c 4.53378352 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiMnCdMo _chemical_formula_sum 'Ti1 Mn1 Cd1 Mo1' _cell_volume 65.89725743 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.20586907 3.20586907 3.20586907 1 Mn Mn1 1 1.60293453 1.60293453 1.60293454 1 Mo Mo2 1 4.80880360 4.80880360 4.80880360 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdMnMoTi
F-43m
216
cubic
-43m
7,841.297187
false
[CIF] data_POsAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.64050792 _cell_length_b 6.64050792 _cell_length_c 6.64050792 _cell_angle_alpha 154.34411995 _cell_angle_beta 147.45943491 _cell_angle_gamma 41.89056429 _symmetry_Int_Tables_number 1 _chemical_formula_structural POsAu2 _chemical_formula_sum 'P1 Os1 Au2' _cell_volume 68.04471161 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.86046348 3.91465158 1 Au Au1 1 1.47435212 -0.00000000 2.28706649 1 Os Os2 1 -0.00000000 -0.00000000 6.20171806 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2OsP
Immm
71
orthorhombic
mmm
15,011.716663
false
[CIF] data_CaTiPt4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34282461 _cell_length_b 5.34282461 _cell_length_c 5.34282461 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTiPt4 _chemical_formula_sum 'Ca1 Ti1 Pt4' _cell_volume 107.84443874 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 Pt Pt1 1 4.72222992 4.72222992 2.83366510 1 Pt Pt2 1 4.72222992 2.83366510 4.72222992 1 Pt Pt3 1 2.83366510 4.72222992 4.72222992 1 Pt Pt4 1 2.83366510 2.83366510 2.83366510 1 Ti Ti5 1 5.66692127 5.66692127 5.66692127 1 [/CIF]
CaPt4Ti
F-43m
216
cubic
-43m
13,369.391488
false
[CIF] data_MgCoTcMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32154808 _cell_length_b 4.32154808 _cell_length_c 4.32154808 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCoTcMo _chemical_formula_sum 'Mg1 Co1 Tc1 Mo1' _cell_volume 57.06936609 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.52789797 1.52789798 1.52789797 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Mo Mo2 1 3.05579595 3.05579595 3.05579595 1 Tc Tc3 1 4.58369392 4.58369392 4.58369392 1 [/CIF]
CoMgMoTc
F-43m
216
cubic
-43m
8,091.963239
false
[CIF] data_Zn2TeRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.02314144 _cell_length_b 3.02314144 _cell_length_c 8.75804048 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2TeRu _chemical_formula_sum 'Zn2 Te1 Ru1' _cell_volume 80.04309649 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 0.00000000 1 Te Te1 1 0.00000000 0.00000000 4.37902024 1 Zn Zn2 1 1.51157072 1.51157072 7.26884246 1 Zn Zn3 1 1.51157072 1.51157072 1.48919802 1 [/CIF]
RuTeZn2
P4/mmm
123
tetragonal
4/mmm
7,456.577555
false
[CIF] data_LiTaSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.55705278 _cell_length_b 5.55705278 _cell_length_c 5.55705278 _cell_angle_alpha 137.23703751 _cell_angle_beta 137.23703751 _cell_angle_gamma 62.07354388 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTaSn2 _chemical_formula_sum 'Li1 Ta1 Sn2' _cell_volume 78.17489617 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Sn Sn1 1 2.02596716 0.00000000 2.38074304 1 Sn Sn2 1 0.00000000 -0.00000000 4.76148608 1 Ta Ta3 1 0.00000000 2.02596716 2.38074304 1 [/CIF]
LiSn2Ta
I-4m2
119
tetragonal
-42m
9,034.127901
false
[CIF] data_Re2NiRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.87873703 _cell_length_b 8.87873703 _cell_length_c 8.87873703 _cell_angle_alpha 17.53897560 _cell_angle_beta 17.53897560 _cell_angle_gamma 17.53897560 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re2NiRu _chemical_formula_sum 'Re2 Ni1 Ru1' _cell_volume 55.47753413 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 0.00000000 -0.00000000 -0.00000000 1 Re Re1 1 -0.00000000 -0.00000000 6.60683516 1 Re Re2 1 -0.00000000 -0.00000000 19.61337421 1 Ru Ru3 1 0.00000000 0.00000000 13.11010469 1 [/CIF]
NiRe2Ru
R-3m
166
trigonal
-3m
15,928.994998
false
[CIF] data_ScCo2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19296115 _cell_length_b 3.19296115 _cell_length_c 6.83453495 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCo2Pb _chemical_formula_sum 'Sc1 Co2 Pb1' _cell_volume 69.67808998 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.59648057 1.59648057 0.32338368 1 Co Co1 1 0.00000000 0.00000000 1.21951375 1 Pb Pb2 1 1.59648057 1.59648057 3.09747193 1 Sc Sc3 1 0.00000000 0.00000000 5.61143307 1 [/CIF]
Co2PbSc
P4mm
99
tetragonal
4mm
8,818.216744
false
[CIF] data_YPd2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72629289 _cell_length_b 4.72629289 _cell_length_c 3.74676644 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YPd2Pb _chemical_formula_sum 'Y1 Pd2 Pb1' _cell_volume 83.69468598 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.36314644 2.36314644 0.00000000 1 Pd Pd1 1 2.36314644 0.00000000 1.87338322 1 Pd Pd2 1 0.00000000 2.36314644 1.87338322 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PbPd2Y
P4/mmm
123
tetragonal
4/mmm
10,097.907093
false
[CIF] data_Sr2AlPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22188437 _cell_length_b 5.22188437 _cell_length_c 5.22188437 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2AlPd _chemical_formula_sum 'Sr2 Al1 Pd1' _cell_volume 100.68545923 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 5.53864478 5.53864478 5.53864478 1 Sr Sr2 1 3.69242985 3.69242985 3.69242985 1 Sr Sr3 1 1.84621493 1.84621493 1.84621492 1 [/CIF]
AlPdSr2
F-43m
216
cubic
-43m
5,090.221928
false
[CIF] data_TiCdCS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33272052 _cell_length_b 4.33272052 _cell_length_c 4.33272052 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCdCS _chemical_formula_sum 'Ti1 Cd1 C1 S1' _cell_volume 57.51313348 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cd Cd1 1 1.53184803 1.53184803 1.53184803 1 S S2 1 3.06369606 3.06369606 3.06369606 1 Ti Ti3 1 4.59554409 4.59554409 4.59554409 1 [/CIF]
CCdSTi
F-43m
216
cubic
-43m
5,900.170652
false
[CIF] data_V3SiHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46837114 _cell_length_b 4.46837114 _cell_length_c 4.46837114 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V3SiHg _chemical_formula_sum 'V3 Si1 Hg1' _cell_volume 89.21702031 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 0.00000000 1 Hg Hg1 1 2.23418557 2.23418557 2.23418557 1 V V2 1 0.00000000 2.23418557 0.00000000 1 V V3 1 0.00000000 0.00000000 2.23418557 1 V V4 1 2.23418557 0.00000000 0.00000000 1 [/CIF]
HgSiV3
Pm-3m
221
cubic
m-3m
7,100.614341
false
[CIF] data_KCdPdPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89256816 _cell_length_b 4.89256816 _cell_length_c 4.89256816 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCdPdPt _chemical_formula_sum 'K1 Cd1 Pd1 Pt1' _cell_volume 82.81245410 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.72978406 1.72978406 1.72978406 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 3.45956812 3.45956812 3.45956812 1 Pt Pt3 1 5.18935218 5.18935218 5.18935218 1 [/CIF]
CdKPdPt
F-43m
216
cubic
-43m
9,083.733727
false
[CIF] data_GaRuAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.18680731 _cell_length_b 4.18680731 _cell_length_c 4.18680731 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaRuAu _chemical_formula_sum 'Ga1 Ru1 Au1' _cell_volume 51.89600458 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 1.48025992 1.48025992 1.48025992 1 Ga Ga1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 4.44077976 4.44077976 4.44077976 1 [/CIF]
AuGaRu
F-43m
216
cubic
-43m
11,767.363141
false
[CIF] data_PdRh3Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94094501 _cell_length_b 4.94094501 _cell_length_c 4.94094501 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PdRh3Pb _chemical_formula_sum 'Pd1 Rh3 Pb1' _cell_volume 120.62298217 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.47047250 2.47047250 2.47047250 1 Rh Rh1 1 2.47047250 0.00000000 2.47047250 1 Rh Rh2 1 2.47047250 2.47047250 0.00000000 1 Rh Rh3 1 0.00000000 2.47047250 2.47047250 1 Pd Pd4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PbPdRh3
Pm-3m
221
cubic
m-3m
8,567.306596
false
[CIF] data_NiRh4W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02031388 _cell_length_b 5.02031388 _cell_length_c 5.02031388 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiRh4W _chemical_formula_sum 'Ni1 Rh4 W1' _cell_volume 89.47003674 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 0.00000000 0.00000000 0.00000000 1 Rh Rh1 1 4.44070762 4.44070762 2.65908836 1 Rh Rh2 1 4.44070762 2.65908836 4.44070762 1 Rh Rh3 1 2.65908836 4.44070762 4.44070762 1 Rh Rh4 1 2.65908836 2.65908836 2.65908836 1 W W5 1 5.32484699 5.32484699 5.32484699 1 [/CIF]
NiRh4W
F-43m
216
cubic
-43m
12,140.942789
false
[CIF] data_La2BeCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19237296 _cell_length_b 4.19237296 _cell_length_c 5.95282318 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2BeCl _chemical_formula_sum 'La2 Be1 Cl1' _cell_volume 104.62676708 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cl Cl1 1 2.09618648 2.09618648 2.97641159 1 La La2 1 0.00000000 0.00000000 2.97641159 1 La La3 1 2.09618648 2.09618648 0.00000000 1 [/CIF]
BeClLa2
P4/mmm
123
tetragonal
4/mmm
5,114.885363
false
[CIF] data_YVFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.17606306 _cell_length_b 3.17606306 _cell_length_c 6.62691867 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YVFe2 _chemical_formula_sum 'Y1 V1 Fe2' _cell_volume 66.84822406 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.49130365 1 Fe Fe1 1 1.58803153 1.58803153 1.64195760 1 V V2 1 0.00000000 0.00000000 2.73538016 1 Y Y3 1 1.58803153 1.58803153 5.07173659 1 [/CIF]
Fe2VY
P4mm
99
tetragonal
4mm
6,248.297576
false