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_ReHgRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.84817037 _cell_length_b 2.84817037 _cell_length_c 7.81816746 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReHgRu2 _chemical_formula_sum 'Re1 Hg1 Ru2' _cell_volume 63.42155655 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 0.00000000 0.00000000 3.90908373 1 Re Re1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 1.42408519 1.42408519 1.74199451 1 Ru Ru3 1 1.42408519 1.42408519 6.07617295 1 [/CIF]
HgReRu2
P4/mmm
123
tetragonal
4/mmm
15,419.881653
false
[CIF] data_VCuAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.68022260 _cell_length_b 2.68022260 _cell_length_c 8.98246243 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 107.30954641 _symmetry_Int_Tables_number 1 _chemical_formula_structural VCuAg2 _chemical_formula_sum 'V1 Cu1 Ag2' _cell_volume 61.60403718 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.58843167 0.00000000 2.32280640 1 Ag Ag1 1 1.58843167 0.00000000 6.65965603 1 Cu Cu2 1 0.00000000 0.00000000 4.49123121 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2CuV
Cmmm
65
orthorhombic
mmm
8,901.197255
false
[CIF] data_TlSiGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78366800 _cell_length_b 4.78366800 _cell_length_c 4.78366800 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlSiGe _chemical_formula_sum 'Tl1 Si1 Ge1' _cell_volume 77.40483582 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.38256408 3.38256408 3.38256408 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 5.07384612 5.07384612 5.07384612 1 [/CIF]
GeSiTl
F-43m
216
cubic
-43m
6,545.393148
false
[CIF] data_V2CuSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41544810 _cell_length_b 4.41544810 _cell_length_c 4.41544810 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2CuSn _chemical_formula_sum 'V2 Cu1 Sn1' _cell_volume 60.87084825 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.12219329 3.12219329 3.12219329 1 Sn Sn1 1 4.68328993 4.68328993 4.68328993 1 V V2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 1.56109664 1.56109664 1.56109665 1 [/CIF]
CuSnV2
F-43m
216
cubic
-43m
7,751.229421
false
[CIF] data_LiScNbAl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63990801 _cell_length_b 4.63990801 _cell_length_c 4.63990801 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiScNbAl _chemical_formula_sum 'Li1 Sc1 Nb1 Al1' _cell_volume 70.63388829 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.28091042 3.28091042 3.28091042 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 1.64045521 1.64045521 1.64045521 1 Sc Sc3 1 4.92136563 4.92136563 4.92136563 1 [/CIF]
AlLiNbSc
F-43m
216
cubic
-43m
4,038.506575
false
[CIF] data_VRu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.80929621 _cell_length_b 3.80929621 _cell_length_c 3.80929621 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VRu3 _chemical_formula_sum 'V1 Ru3' _cell_volume 55.27569780 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.90464810 1.90464810 1 Ru Ru1 1 1.90464810 0.00000000 1.90464810 1 Ru Ru2 1 1.90464810 1.90464810 0.00000000 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ru3V
Pm-3m
221
cubic
m-3m
10,639.076929
false
[CIF] data_LaY2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62830040 _cell_length_b 3.62830040 _cell_length_c 9.92394134 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.02489248 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaY2Pb _chemical_formula_sum 'La1 Y2 Pb1' _cell_volume 130.62345786 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 4.72920661 1 Pb Pb1 1 2.54254714 0.00000000 2.38590405 1 Y Y2 1 0.00000000 0.00000000 0.18541594 1 Y Y3 1 2.54254714 0.00000000 7.58538550 1 [/CIF]
LaPbY2
Cmm2
35
orthorhombic
mm2
6,660.250331
false
[CIF] data_ReTc2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09240745 _cell_length_b 5.09240745 _cell_length_c 5.09240745 _cell_angle_alpha 134.35537262 _cell_angle_beta 134.35537262 _cell_angle_gamma 66.53347193 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReTc2Bi _chemical_formula_sum 'Re1 Tc2 Bi1' _cell_volume 66.44828229 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 1.97521537 -0.00000000 2.12894705 1 Re Re1 1 0.00000000 0.00000000 4.25789409 1 Tc Tc2 1 -0.00000000 1.97521537 2.12894705 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiReTc2
I-4m2
119
tetragonal
-42m
14,819.033698
false
[CIF] data_HfCd2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20991719 _cell_length_b 4.22637454 _cell_length_c 5.47056618 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCd2B _chemical_formula_sum 'Hf1 Cd2 B1' _cell_volume 74.21540919 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cd Cd1 1 1.60495860 2.11318727 1.31747016 1 Cd Cd2 1 1.60495860 2.11318727 4.15309602 1 Hf Hf3 1 0.00000000 0.00000000 2.73528309 1 [/CIF]
BCd2Hf
Pmmm
47
orthorhombic
mmm
9,265.830741
false
[CIF] data_LaPd2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24110755 _cell_length_b 4.24110755 _cell_length_c 4.20005156 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaPd2Pt _chemical_formula_sum 'La1 Pd2 Pt1' _cell_volume 75.54629906 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 0.00000000 1 Pd Pd1 1 0.00000000 2.12055378 2.10002578 1 Pd Pd2 1 2.12055378 0.00000000 2.10002578 1 Pt Pt3 1 2.12055378 2.12055378 0.00000000 1 [/CIF]
LaPd2Pt
P4/mmm
123
tetragonal
4/mmm
12,020.304725
false
[CIF] data_BMoRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.74930481 _cell_length_b 2.74930481 _cell_length_c 6.63425549 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BMoRh2 _chemical_formula_sum 'B1 Mo1 Rh2' _cell_volume 50.14619379 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.17114288 1 Mo Mo1 1 1.37465240 1.37465240 4.73891212 1 Rh Rh2 1 0.00000000 0.00000000 6.60847484 1 Rh Rh3 1 1.37465240 1.37465240 2.06710895 1 [/CIF]
BMoRh2
P4mm
99
tetragonal
4mm
10,350.897257
false
[CIF] data_Bi5Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.60745336 _cell_length_b 3.60745336 _cell_length_c 15.42604814 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi5Pb _chemical_formula_sum 'Bi5 Pb1' _cell_volume 200.75026726 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 1.80372668 1.80372668 12.88975870 1 Bi Bi1 1 1.80372668 1.80372668 2.53628944 1 Bi Bi2 1 0.00000000 0.00000000 10.20694479 1 Bi Bi3 1 0.00000000 0.00000000 5.21910335 1 Bi Bi4 1 1.80372668 1.80372668 7.71302407 1 Pb Pb5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Bi5Pb
P4/mmm
123
tetragonal
4/mmm
10,356.968958
false
[CIF] data_NbAlPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15869112 _cell_length_b 4.36858847 _cell_length_c 4.62458867 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbAlPd2 _chemical_formula_sum 'Nb1 Al1 Pd2' _cell_volume 63.81479898 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 1.57934556 0.00000000 2.31229433 1 Pd Pd2 1 1.57934556 2.18429423 0.00000000 1 Pd Pd3 1 0.00000000 2.18429423 2.31229433 1 [/CIF]
AlNbPd2
Pmmm
47
orthorhombic
mmm
8,657.987116
false
[CIF] data_ZrCdP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.41300970 _cell_length_b 6.41300970 _cell_length_c 6.41300970 _cell_angle_alpha 147.74053967 _cell_angle_beta 145.98195424 _cell_angle_gamma 47.58457932 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCdP2 _chemical_formula_sum 'Zr1 Cd1 P2' _cell_volume 78.44859797 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.87594834 2.56887103 1 P P1 1 0.00000000 -0.00000000 0.27858111 1 P P2 1 1.78161845 0.00000000 3.46943328 1 Zr Zr3 1 -0.00000000 -0.00000000 5.41910144 1 [/CIF]
CdP2Zr
Imm2
44
orthorhombic
mm2
5,621.644846
false
[CIF] data_Y3C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.74898037 _cell_length_b 7.74898037 _cell_length_c 3.43880670 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 102.93646897 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y3C _chemical_formula_sum 'Y6 C2' _cell_volume 201.24806530 _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 C C0 1 4.82721515 -2.70514479 2.57910502 1 C C1 1 4.82721515 2.70514479 0.85970167 1 Y Y2 1 4.82721515 4.44596956 2.57910502 1 Y Y3 1 4.82721515 -4.44596956 0.85970167 1 Y Y4 1 6.44196197 1.64051692 2.57910502 1 Y Y5 1 3.21246833 -1.64051692 0.85970167 1 Y Y6 1 6.44196197 -1.64051692 0.85970167 1 Y Y7 1 3.21246833 1.64051692 2.57910502 1 [/CIF]
C2Y6
Cmcm
63
orthorhombic
mmm
4,599.687926
false
[CIF] data_ZrAlSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62704843 _cell_length_b 4.62704843 _cell_length_c 4.62704843 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrAlSe _chemical_formula_sum 'Zr1 Al1 Se1' _cell_volume 70.04822534 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Se Se1 1 1.63590866 1.63590866 1.63590866 1 Zr Zr2 1 4.90772598 4.90772598 4.90772598 1 [/CIF]
AlSeZr
F-43m
216
cubic
-43m
4,673.938246
false
[CIF] data_MnTlPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09718754 _cell_length_b 5.09718754 _cell_length_c 5.09718754 _cell_angle_alpha 133.45528434 _cell_angle_beta 133.45528434 _cell_angle_gamma 67.94005045 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnTlPt2 _chemical_formula_sum 'Mn1 Tl1 Pt2' _cell_volume 68.58015218 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 2.01391080 -0.00000000 2.11362529 1 Pt Pt2 1 0.00000000 -0.00000000 4.22725057 1 Tl Tl3 1 -0.00000000 2.01391080 2.11362529 1 [/CIF]
MnPt2Tl
I-4m2
119
tetragonal
-42m
15,726.159776
false
[CIF] data_ZrCr2In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.35091863 _cell_length_b 5.35091863 _cell_length_c 5.35091863 _cell_angle_alpha 145.07743721 _cell_angle_beta 129.55674819 _cell_angle_gamma 62.82120906 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCr2In _chemical_formula_sum 'Zr1 Cr2 In1' _cell_volume 66.87563888 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.60560328 -0.00000000 0.31766370 1 Cr Cr1 1 0.00000000 -0.00000000 2.00221189 1 In In2 1 1.60560328 -0.00000000 4.41405437 1 Zr Zr3 1 0.00000000 -0.00000000 6.96636441 1 [/CIF]
Cr2InZr
Imm2
44
orthorhombic
mm2
7,698.227781
false
[CIF] data_SiRu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.79320264 _cell_length_b 3.79320264 _cell_length_c 3.79320264 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiRu3 _chemical_formula_sum 'Si1 Ru3' _cell_volume 54.57806486 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.89660132 1.89660132 1 Ru Ru1 1 1.89660132 0.00000000 1.89660132 1 Ru Ru2 1 1.89660132 1.89660132 0.00000000 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ru3Si
Pm-3m
221
cubic
m-3m
10,079.674347
false
[CIF] data_CaTaSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39181034 _cell_length_b 4.39181034 _cell_length_c 3.76385034 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTaSi2 _chemical_formula_sum 'Ca1 Ta1 Si2' _cell_volume 72.59713807 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Si Si1 1 0.00000000 2.19590517 1.88192517 1 Si Si2 1 2.19590517 0.00000000 1.88192517 1 Ta Ta3 1 2.19590517 2.19590517 0.00000000 1 [/CIF]
CaSi2Ta
P4/mmm
123
tetragonal
4/mmm
6,340.418653
false
[CIF] data_CdCu2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76890788 _cell_length_b 4.76890788 _cell_length_c 4.76890788 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdCu2Bi _chemical_formula_sum 'Cd1 Cu2 Bi1' _cell_volume 76.69054108 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.37212710 3.37212710 3.37212710 1 Cd Cd1 1 0.00000000 0.00000000 0.00000000 1 Cu Cu2 1 1.68606355 1.68606355 1.68606355 1 Cu Cu3 1 5.05819065 5.05819065 5.05819065 1 [/CIF]
BiCdCu2
Fm-3m
225
cubic
m-3m
9,710.770011
false
[CIF] data_Y4SnRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.09641137 _cell_length_b 6.09641137 _cell_length_c 6.09641137 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y4SnRh _chemical_formula_sum 'Y4 Sn1 Rh1' _cell_volume 160.21670474 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 0.00000000 1 Sn Sn1 1 2.15540691 2.15540691 2.15540691 1 Y Y2 1 3.23021649 3.23021649 5.39141115 1 Y Y3 1 3.23021649 5.39141115 3.23021649 1 Y Y4 1 5.39141115 3.23021649 3.23021649 1 Y Y5 1 5.39141115 5.39141115 5.39141115 1 [/CIF]
RhSnY4
F-43m
216
cubic
-43m
5,982.695411
false
[CIF] data_MnNbSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39996004 _cell_length_b 4.39996004 _cell_length_c 4.39996004 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnNbSb _chemical_formula_sum 'Mn1 Nb1 Sb1' _cell_volume 60.23254288 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 1.55562079 1.55562079 1.55562079 1 Sb Sb2 1 3.11124158 3.11124158 3.11124158 1 [/CIF]
MnNbSb
F-43m
216
cubic
-43m
7,432.671091
false
[CIF] data_Sr2ZrSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.74628516 _cell_length_b 3.74628516 _cell_length_c 9.04195284 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2ZrSi _chemical_formula_sum 'Sr2 Zr1 Si1' _cell_volume 126.90066600 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.08448929 1 Sr Sr1 1 1.87314258 1.87314258 8.39791217 1 Sr Sr2 1 0.00000000 0.00000000 2.79807932 1 Zr Zr3 1 1.87314258 1.87314258 5.32440131 1 [/CIF]
SiSr2Zr
P4mm
99
tetragonal
4mm
3,854.47249
false
[CIF] data_CaInMoOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73561067 _cell_length_b 4.73561067 _cell_length_c 4.73561067 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaInMoOs _chemical_formula_sum 'Ca1 In1 Mo1 Os1' _cell_volume 75.09533764 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 5.02287363 5.02287363 5.02287363 1 Mo Mo2 1 3.34858242 3.34858242 3.34858242 1 Os Os3 1 1.67429121 1.67429121 1.67429121 1 [/CIF]
CaInMoOs
F-43m
216
cubic
-43m
9,753.475486
false
[CIF] data_ZnCdSiTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97490532 _cell_length_b 4.97490532 _cell_length_c 4.97490532 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCdSiTe _chemical_formula_sum 'Zn1 Cd1 Si1 Te1' _cell_volume 87.06416971 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.75889465 1.75889465 1.75889464 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 5.27668394 5.27668394 5.27668394 1 Zn Zn3 1 3.51778929 3.51778929 3.51778929 1 [/CIF]
CdSiTeZn
F-43m
216
cubic
-43m
6,360.26
false
[CIF] data_CaHfPtW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76382404 _cell_length_b 4.76382404 _cell_length_c 4.76382404 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaHfPtW _chemical_formula_sum 'Ca1 Hf1 Pt1 W1' _cell_volume 76.44553706 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 1.68426614 1.68426614 1.68426614 1 Pt Pt2 1 5.05279842 5.05279842 5.05279842 1 W W3 1 3.36853228 3.36853228 3.36853228 1 [/CIF]
CaHfPtW
F-43m
216
cubic
-43m
12,978.636114
false
[CIF] data_FeSi2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.06221617 _cell_length_b 7.06221617 _cell_length_c 7.06221617 _cell_angle_alpha 25.89655861 _cell_angle_beta 25.89655861 _cell_angle_gamma 25.89655861 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeSi2Se _chemical_formula_sum 'Fe1 Si2 Se1' _cell_volume 59.17528604 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Se Se1 1 -0.00000000 -0.00000000 10.23260296 1 Si Si2 1 -0.00000000 -0.00000000 5.30566398 1 Si Si3 1 0.00000000 -0.00000000 15.15954193 1 [/CIF]
FeSeSi2
R-3m
166
trigonal
-3m
5,359.046483
false
[CIF] data_GaRhCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.24117726 _cell_length_b 3.24117726 _cell_length_c 5.66019760 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaRhCl _chemical_formula_sum 'Ga1 Rh1 Cl1' _cell_volume 51.49532366 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.05752900 1 Ga Ga1 1 0.00000000 1.87129457 2.01551599 1 Rh Rh2 1 1.62058863 0.93564728 3.58715266 1 [/CIF]
ClGaRh
P3m1
156
trigonal
3m
6,709.880345
false
[CIF] data_VFeAg4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38965724 _cell_length_b 5.38965724 _cell_length_c 5.38965724 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VFeAg4 _chemical_formula_sum 'V1 Fe1 Ag4' _cell_volume 110.70530721 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.76408266 4.76408266 2.85804370 1 Ag Ag1 1 4.76408266 2.85804370 4.76408266 1 Ag Ag2 1 2.85804370 4.76408266 4.76408266 1 Ag Ag3 1 2.85804370 2.85804370 2.85804370 1 Fe Fe4 1 5.71659477 5.71659477 5.71659477 1 V V5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag4FeV
F-43m
216
cubic
-43m
8,073.692384
false
[CIF] data_Fe2CuSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16114461 _cell_length_b 3.16114461 _cell_length_c 5.77287930 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2CuSn _chemical_formula_sum 'Fe2 Cu1 Sn1' _cell_volume 57.68743155 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.49329745 1 Fe Fe1 1 1.58057230 1.58057230 0.09387654 1 Fe Fe2 1 0.00000000 0.00000000 1.20713158 1 Sn Sn3 1 1.58057230 1.58057230 2.86501338 1 [/CIF]
CuFe2Sn
P4mm
99
tetragonal
4mm
8,461.849859
false
[CIF] data_FeCoReGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.14419423 _cell_length_b 4.14419423 _cell_length_c 4.14419423 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeCoReGe _chemical_formula_sum 'Fe1 Co1 Re1 Ge1' _cell_volume 50.32749431 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.93038784 2.93038784 2.93038785 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Co Co2 1 4.39558177 4.39558177 4.39558177 1 Ge Ge3 1 1.46519392 1.46519392 1.46519392 1 [/CIF]
CoFeGeRe
F-43m
216
cubic
-43m
12,327.640013
false
[CIF] data_Mg2CdCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.32328248 _cell_length_b 3.32328248 _cell_length_c 7.90730134 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2CdCl _chemical_formula_sum 'Mg2 Cd1 Cl1' _cell_volume 87.32986813 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.95365067 1 Cl Cl1 1 0.00000000 0.00000000 0.00000000 1 Mg Mg2 1 1.66164124 1.66164124 2.05514146 1 Mg Mg3 1 1.66164124 1.66164124 5.85215988 1 [/CIF]
CdClMg2
P4/mmm
123
tetragonal
4/mmm
3,736.137434
false
[CIF] data_GaReGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00781721 _cell_length_b 5.00781721 _cell_length_c 5.00781721 _cell_angle_alpha 141.03298054 _cell_angle_beta 124.81650356 _cell_angle_gamma 69.60696233 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaReGe2 _chemical_formula_sum 'Ga1 Re1 Ge2' _cell_volume 63.72211456 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.17612503 1 Ge Ge1 1 0.00000000 2.31946268 4.10739437 1 Ge Ge2 1 0.00000000 -0.00000000 2.06685593 1 Re Re3 1 1.67028504 0.00000000 4.09759064 1 [/CIF]
GaGe2Re
Imm2
44
orthorhombic
mm2
10,455.159618
false
[CIF] data_BeAg2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.94853215 _cell_length_b 2.94853215 _cell_length_c 7.08955049 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeAg2Au _chemical_formula_sum 'Be1 Ag2 Au1' _cell_volume 61.63543070 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.47426608 1.47426608 1.45607584 1 Ag Ag1 1 1.47426608 1.47426608 5.63347465 1 Au Au2 1 0.00000000 0.00000000 3.54477525 1 Be Be3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2AuBe
P4/mmm
123
tetragonal
4/mmm
11,362.118337
false
[CIF] data_SbRh2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.87863879 _cell_length_b 4.02221590 _cell_length_c 4.13865415 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SbRh2W _chemical_formula_sum 'Sb1 Rh2 W1' _cell_volume 64.56599538 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 0.00000000 1 Rh Rh1 1 1.93931940 0.00000000 2.06932707 1 Sb Sb2 1 1.93931940 2.01110795 0.00000000 1 W W3 1 0.00000000 2.01110795 2.06932707 1 [/CIF]
Rh2SbW
Pmmm
47
orthorhombic
mmm
13,152.712037
false
[CIF] data_Sc2ZnAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.53715257 _cell_length_b 3.53715257 _cell_length_c 6.34250225 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2ZnAu _chemical_formula_sum 'Sc2 Zn1 Au1' _cell_volume 79.35388902 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.76857628 1.76857628 4.73536666 1 Sc Sc1 1 0.00000000 0.00000000 6.12405607 1 Sc Sc2 1 1.76857628 1.76857628 1.79482019 1 Zn Zn3 1 0.00000000 0.00000000 3.20201270 1 [/CIF]
AuSc2Zn
P4mm
99
tetragonal
4mm
7,371.268508
false
[CIF] data_NbSbRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79861489 _cell_length_b 4.79861489 _cell_length_c 4.95908136 _cell_angle_alpha 99.14936041 _cell_angle_beta 99.14936041 _cell_angle_gamma 36.90785300 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbSbRh2 _chemical_formula_sum 'Nb1 Sb1 Rh2' _cell_volume 67.60496042 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.60860220 -0.00000000 1.15224969 1 Rh Rh2 1 1.66384094 0.00000000 3.73666195 1 Sb Sb3 1 4.13622157 -0.00000000 2.44445582 1 [/CIF]
NbRh2Sb
C2/m
12
monoclinic
2/m
10,327.927297
false
[CIF] data_KVIrOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51125729 _cell_length_b 4.51125729 _cell_length_c 4.51125729 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KVIrOs _chemical_formula_sum 'K1 V1 Ir1 Os1' _cell_volume 64.91989253 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 3.18994062 3.18994062 3.18994062 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 4.78491093 4.78491093 4.78491093 1 V V3 1 1.59497031 1.59497031 1.59497031 1 [/CIF]
IrKOsV
F-43m
216
cubic
-43m
12,085.398779
false
[CIF] data_HfVTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.52310869 _cell_length_b 3.52310869 _cell_length_c 7.90450252 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 92.38966719 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfVTe2 _chemical_formula_sum 'Hf1 V1 Te2' _cell_volume 98.02769338 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.43872491 0.00000000 2.23402947 1 Te Te1 1 0.00000000 0.00000000 0.75552753 1 Te Te2 1 2.43872491 0.00000000 5.12337508 1 V V3 1 0.00000000 0.00000000 3.74382170 1 [/CIF]
HfTe2V
Cmm2
35
orthorhombic
mm2
8,209.410126
false
[CIF] data_LaMnCrPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16986780 _cell_length_b 5.16986780 _cell_length_c 5.16986780 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaMnCrPb _chemical_formula_sum 'La1 Mn1 Cr1 Pb1' _cell_volume 97.70646835 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 1.82782429 1.82782429 1.82782429 1 Mn Mn2 1 5.48347287 5.48347287 5.48347287 1 Pb Pb3 1 3.65564858 3.65564858 3.65564858 1 [/CIF]
CrLaMnPb
F-43m
216
cubic
-43m
7,699.490035
false
[CIF] data_CdI2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28987044 _cell_length_b 4.28987044 _cell_length_c 41.86748500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdI2 _chemical_formula_sum 'Cd6 I12' _cell_volume 667.26117827 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 -0.00000000 2.47675786 34.89088073 1 Cd Cd1 1 0.00000000 0.00000000 0.00000000 1 Cd Cd2 1 2.14493522 1.23837893 6.97660427 1 Cd Cd3 1 0.00000000 0.00000000 13.95481500 1 Cd Cd4 1 0.00000000 0.00000000 20.93374250 1 Cd Cd5 1 0.00000000 0.00000000 27.91267000 1 I I6 1 2.14493522 1.23837893 33.16442893 1 I I7 1 0.00000000 0.00000000 36.61538988 1 I I8 1 2.14493522 1.23837893 40.14101897 1 I I9 1 -0.00000000 2.47675786 1.72646603 1 I I10 1 0.00000000 0.00000000 5.25209513 1 I I11 1 -0.00000000 2.47675786 8.70305607 1 I I12 1 2.14493522 1.23837893 12.22911431 1 I I13 1 -0.00000000 2.47675786 15.68057599 1 I I14 1 2.14493522 1.23837893 19.20675438 1 I I15 1 -0.00000000 2.47675786 22.66073062 1 I I16 1 2.14493522 1.23837893 26.18690902 1 I I17 1 -0.00000000 2.47675786 29.63837070 1 [/CIF]
Cd6I12
P-3m1
164
trigonal
-3m
5,468.227057
false
[CIF] data_MnFeCoMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.14749937 _cell_length_b 4.14749937 _cell_length_c 4.14749937 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnFeCoMo _chemical_formula_sum 'Mn1 Fe1 Co1 Mo1' _cell_volume 50.44800409 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.46636247 1.46636247 1.46636247 1 Fe Fe1 1 2.93272493 2.93272493 2.93272493 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Mo Mo3 1 4.39908740 4.39908740 4.39908740 1 [/CIF]
CoFeMnMo
F-43m
216
cubic
-43m
8,744.959956
false
[CIF] data_SrZrBi4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.56461962 _cell_length_b 6.56461962 _cell_length_c 6.56461962 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrZrBi4 _chemical_formula_sum 'Sr1 Zr1 Bi4' _cell_volume 200.03855174 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.48601209 3.48601209 5.79776201 1 Bi Bi1 1 3.48601209 5.79776201 3.48601209 1 Bi Bi2 1 5.79776201 3.48601209 3.48601209 1 Bi Bi3 1 5.79776201 5.79776201 5.79776201 1 Sr Sr4 1 0.00000000 0.00000000 0.00000000 1 Zr Zr5 1 2.32094353 2.32094353 2.32094353 1 [/CIF]
Bi4SrZr
F-43m
216
cubic
-43m
8,423.665876
false
[CIF] data_CoReSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.71092846 _cell_length_b 2.71092846 _cell_length_c 5.97330119 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoReSi _chemical_formula_sum 'Co1 Re1 Si1' _cell_volume 38.01729020 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000001 1.56515528 5.87203707 1 Re Re1 1 1.35546421 0.78257764 1.96858169 1 Si Si2 1 0.00000000 0.00000000 4.10598368 1 [/CIF]
CoReSi
P3m1
156
trigonal
3m
11,934.094664
false
[CIF] data_ZrGaHgBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15325652 _cell_length_b 5.15325652 _cell_length_c 5.15325652 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrGaHgBi _chemical_formula_sum 'Zr1 Ga1 Hg1 Bi1' _cell_volume 96.76767047 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 1.82195132 1.82195132 1.82195131 1 Ga Ga1 1 0.00000000 0.00000000 0.00000000 1 Hg Hg2 1 5.46585395 5.46585395 5.46585395 1 Zr Zr3 1 3.64390263 3.64390263 3.64390263 1 [/CIF]
BiGaHgZr
F-43m
216
cubic
-43m
9,790.113023
false
[CIF] data_BeCrP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.45687282 _cell_length_b 4.69144562 _cell_length_c 4.69144562 _cell_angle_alpha 38.09781880 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeCrP2 _chemical_formula_sum 'Be1 Cr1 P2' _cell_volume 46.94464980 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.27372693 1 Cr Cr1 1 1.72843641 0.00000000 2.87734488 1 P P2 1 0.00000000 -0.00000000 8.04575860 1 P P3 1 1.72843641 -0.00000000 5.46561256 1 [/CIF]
BeCrP2
Amm2
38
orthorhombic
mm2
4,349.235607
false
[CIF] data_MnNbCuW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37091894 _cell_length_b 4.37091894 _cell_length_c 4.37091894 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnNbCuW _chemical_formula_sum 'Mn1 Nb1 Cu1 W1' _cell_volume 59.04773707 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.54535321 1.54535321 1.54535321 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 3.09070642 3.09070642 3.09070642 1 W W3 1 4.63605963 4.63605963 4.63605963 1 [/CIF]
CuMnNbW
F-43m
216
cubic
-43m
11,114.660674
false
[CIF] data_BaYVZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22127141 _cell_length_b 5.22127141 _cell_length_c 5.22127141 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaYVZn _chemical_formula_sum 'Ba1 Y1 V1 Zn1' _cell_volume 100.65000699 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.69199642 3.69199642 3.69199642 1 V V1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 5.53799463 5.53799463 5.53799463 1 Zn Zn3 1 1.84599821 1.84599821 1.84599821 1 [/CIF]
BaVYZn
F-43m
216
cubic
-43m
5,651.513573
false
[CIF] data_CoCu2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.38108397 _cell_length_b 3.38108397 _cell_length_c 5.13347792 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoCu2Sb _chemical_formula_sum 'Co1 Cu2 Sb1' _cell_volume 58.68452744 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 1.69054199 1.69054199 1.18379305 1 Cu Cu2 1 1.69054199 1.69054199 3.94968487 1 Sb Sb3 1 0.00000000 0.00000000 2.56673896 1 [/CIF]
CoCu2Sb
P4/mmm
123
tetragonal
4/mmm
8,709.098679
false
[CIF] data_Nb3Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44769631 _cell_length_b 4.44769631 _cell_length_c 3.29088319 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb3Ni _chemical_formula_sum 'Nb3 Ni1' _cell_volume 65.10025932 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.22384815 0.00000000 1.64544160 1 Nb Nb1 1 2.22384815 2.22384815 0.00000000 1 Nb Nb2 1 0.00000000 2.22384815 1.64544160 1 Ni Ni3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Nb3Ni
P4/mmm
123
tetragonal
4/mmm
8,606.520313
false
[CIF] data_Li2YHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.57192155 _cell_length_b 4.42016505 _cell_length_c 6.25929229 _cell_angle_alpha 90.00000000 _cell_angle_beta 105.80484058 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2YHg _chemical_formula_sum 'Li2 Y1 Hg1' _cell_volume 95.08865835 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 -1.05097434 2.21008252 4.54047565 1 Li Li1 1 0.64548336 0.00000000 0.11184013 1 Li Li2 1 2.46370785 2.21008252 1.06045763 1 Y Y3 1 0.74247970 0.00000000 3.32121609 1 [/CIF]
HgLi2Y
Pm
6
monoclinic
m
5,297.905982
false
[CIF] data_BeInMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.84099176 _cell_length_b 2.84099176 _cell_length_c 8.41144297 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.89450128 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeInMo2 _chemical_formula_sum 'Be1 In1 Mo2' _cell_volume 63.83906112 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.37082583 1 In In1 1 1.63166778 0.00000000 2.26305373 1 Mo Mo2 1 0.00000000 0.00000000 8.24885011 1 Mo Mo3 1 1.63166778 0.00000000 6.14587775 1 [/CIF]
BeInMo2
Cmm2
35
orthorhombic
mm2
8,213.083076
false
[CIF] data_SrVTcW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64439383 _cell_length_b 4.64439383 _cell_length_c 4.64439383 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrVTcW _chemical_formula_sum 'Sr1 V1 Tc1 W1' _cell_volume 70.83895073 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.28408237 3.28408237 3.28408237 1 Tc Tc1 1 1.64204118 1.64204119 1.64204119 1 V V2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 4.92612356 4.92612356 4.92612356 1 [/CIF]
SrTcVW
F-43m
216
cubic
-43m
9,875.892961
false
[CIF] data_LiAg2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59766252 _cell_length_b 3.59766252 _cell_length_c 5.68202861 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiAg2Se _chemical_formula_sum 'Li1 Ag2 Se1' _cell_volume 73.54349411 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.79883126 1.79883126 4.28811625 1 Ag Ag1 1 1.79883126 1.79883126 1.39391236 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Se Se3 1 0.00000000 0.00000000 2.84101431 1 [/CIF]
Ag2LiSe
P4/mmm
123
tetragonal
4/mmm
6,810.672959
false
[CIF] data_BaAg2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.15894781 _cell_length_b 4.15894781 _cell_length_c 7.32899317 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaAg2Te _chemical_formula_sum 'Ba1 Ag2 Te1' _cell_volume 126.76847300 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 2.07947391 2.07947391 0.49271546 1 Ag Ag1 1 0.00000000 0.00000000 1.05802335 1 Ba Ba2 1 2.07947391 2.07947391 3.88799687 1 Te Te3 1 0.00000000 0.00000000 5.55475408 1 [/CIF]
Ag2BaTe
P4mm
99
tetragonal
4mm
6,296.221329
false
[CIF] data_TePbW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.33778364 _cell_length_b 4.17750812 _cell_length_c 7.39787324 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.73301225 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TePbW2 _chemical_formula_sum 'Te1 Pb1 W2' _cell_volume 103.14467887 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.08504636 2.08875406 3.24036001 1 Te Te1 1 0.30673812 0.00000000 6.16020268 1 W W2 1 0.40306824 2.08875406 0.75883393 1 W W3 1 2.06985987 0.00000000 0.93650513 1 [/CIF]
PbTeW2
Pm
6
monoclinic
m
11,309.313251
false
[CIF] data_NaLi2Ca _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.69138987 _cell_length_b 3.69138987 _cell_length_c 8.92330498 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 92.28834314 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLi2Ca _chemical_formula_sum 'Na1 Li2 Ca1' _cell_volume 121.49519343 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.46165249 1 Li Li1 1 2.55756515 -0.00000000 6.78523836 1 Li Li2 1 2.55756515 -0.00000000 2.13806662 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CaLi2Na
Cmmm
65
orthorhombic
mmm
1,051.713195
false
[CIF] data_Ta2CdP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.06560066 _cell_length_b 3.06560066 _cell_length_c 7.38453390 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2CdP _chemical_formula_sum 'Ta2 Cd1 P1' _cell_volume 69.39916561 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.69226695 1 P P1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 1.53280033 1.53280033 1.45498461 1 Ta Ta3 1 1.53280033 1.53280033 5.92954929 1 [/CIF]
CdPTa2
P4/mmm
123
tetragonal
4/mmm
12,090.030844
false
[CIF] data_TaPbW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68173936 _cell_length_b 4.68173936 _cell_length_c 4.68173936 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaPbW2 _chemical_formula_sum 'Ta1 Pb1 W2' _cell_volume 72.56157449 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy W W0 1 4.96573447 4.96573447 4.96573447 1 W W1 1 3.31048965 3.31048965 3.31048965 1 Pb Pb2 1 1.65524482 1.65524482 1.65524482 1 Ta Ta3 1 -0.00000000 -0.00000000 0.00000000 1 [/CIF]
PbTaW2
F-43m
216
cubic
-43m
17,296.781818
false
[CIF] data_MnCrIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93660163 _cell_length_b 4.93660163 _cell_length_c 4.93660163 _cell_angle_alpha 128.91091383 _cell_angle_beta 128.91091383 _cell_angle_gamma 75.15395943 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCrIn2 _chemical_formula_sum 'Mn1 Cr1 In2' _cell_volume 70.91621354 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 0.00000000 0.00000000 0.00000000 1 In In1 1 2.12872511 -0.00000000 1.95621411 1 In In2 1 0.00000000 2.12872511 1.95621410 1 Mn Mn3 1 0.00000000 -0.00000000 3.91242821 1 [/CIF]
CrIn2Mn
I4/mmm
139
tetragonal
4/mmm
7,880.960454
false
[CIF] data_LaSmGd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.78317280 _cell_length_b 5.78317280 _cell_length_c 5.78317280 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaSmGd2 _chemical_formula_sum 'La1 Sm1 Gd2' _cell_volume 136.76768903 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Gd Gd0 1 6.13398105 6.13398105 6.13398105 1 Gd Gd1 1 2.04466035 2.04466035 2.04466035 1 La La2 1 0.00000000 0.00000000 0.00000000 1 Sm Sm3 1 4.08932070 4.08932070 4.08932070 1 [/CIF]
Gd2LaSm
Fm-3m
225
cubic
m-3m
7,330.504427
false
[CIF] data_Sr2TcSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62411203 _cell_length_b 4.51412315 _cell_length_c 7.10083386 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2TcSb _chemical_formula_sum 'Sr2 Tc1 Sb1' _cell_volume 116.16742643 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sb Sb0 1 0.00000000 0.00000000 3.55041693 1 Sr Sr1 1 1.81205601 2.25706157 5.36203549 1 Sr Sr2 1 1.81205601 2.25706157 1.73879837 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
SbSr2Tc
Pmmm
47
orthorhombic
mmm
5,659.492792
false
[CIF] data_Na2MgAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48159346 _cell_length_b 5.48159346 _cell_length_c 3.36885990 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 111.24932429 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2MgAs _chemical_formula_sum 'Na2 Mg1 As1' _cell_volume 94.34484329 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.09497231 -0.00000000 0.00000000 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Na Na2 1 1.54748616 2.26213468 1.68442995 1 Na Na3 1 1.54748616 -2.26213468 1.68442995 1 [/CIF]
AsMgNa2
Cmmm
65
orthorhombic
mmm
2,555.735506
false
[CIF] data_NaLaCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00867864 _cell_length_b 5.00867864 _cell_length_c 3.46839617 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLaCu _chemical_formula_sum 'Na1 La1 Cu1' _cell_volume 75.35388801 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000003 2.89176197 2.91970363 1 La La1 1 2.50433929 1.44588099 1.15614495 1 Na Na2 1 0.00000000 0.00000000 2.86094376 1 [/CIF]
CuLaNa
P3m1
156
trigonal
3m
4,967.945183
false
[CIF] data_CdBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.29071743 _cell_length_b 6.29071743 _cell_length_c 6.29071743 _cell_angle_alpha 101.69582036 _cell_angle_beta 101.69582036 _cell_angle_gamma 126.48186159 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdBi2 _chemical_formula_sum 'Cd2 Bi4' _cell_volume 178.72591096 _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 Bi Bi0 1 1.11665508 2.85518489 2.83233125 1 Bi Bi1 1 2.85518489 1.11665508 -0.00000000 1 Bi Bi2 1 1.11665508 5.08849505 -0.00000000 1 Bi Bi3 1 2.85518489 -1.11665508 2.83233125 1 Cd Cd4 1 0.00000000 0.00000000 1.41616563 1 Cd Cd5 1 -0.00000000 0.00000000 4.24849688 1 [/CIF]
Bi4Cd2
I4/mcm
140
tetragonal
4/mmm
9,855.348774
false
[CIF] data_AlNiBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.96911575 _cell_length_b 5.96911575 _cell_length_c 5.96911575 _cell_angle_alpha 139.08212495 _cell_angle_beta 139.08212495 _cell_angle_gamma 59.24965008 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlNiBi2 _chemical_formula_sum 'Al1 Ni1 Bi2' _cell_volume 90.35119974 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Bi Bi1 1 2.08642085 -0.00000000 2.59441896 1 Bi Bi2 1 0.00000000 -0.00000000 5.18883791 1 Ni Ni3 1 0.00000000 2.08642085 2.59441895 1 [/CIF]
AlBi2Ni
I-4m2
119
tetragonal
-42m
9,256.178354
false
[CIF] data_LiCaAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61079118 _cell_length_b 4.77780625 _cell_length_c 5.11983750 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.24650691 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCaAg2 _chemical_formula_sum 'Li1 Ca1 Ag2' _cell_volume 88.30479736 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.07868778 2.38890313 4.76720307 1 Ag Ag1 1 3.15596445 0.00000000 1.44423392 1 Ca Ca2 1 1.36385058 2.38890313 2.17183103 1 Li Li3 1 1.15003359 0.00000000 4.41329677 1 [/CIF]
Ag2CaLi
Pm
6
monoclinic
m
4,941.018152
false
[CIF] data_CeSiBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43872316 _cell_length_b 5.43872316 _cell_length_c 5.43872316 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CeSiBi2 _chemical_formula_sum 'Ce1 Si1 Bi2' _cell_volume 113.75640538 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.76863704 5.76863704 5.76863704 1 Bi Bi1 1 1.92287901 1.92287901 1.92287901 1 Ce Ce2 1 3.84575802 3.84575802 3.84575802 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Bi2CeSi
Fm-3m
225
cubic
m-3m
8,556.400804
false
[CIF] data_CaFeOsPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75878415 _cell_length_b 4.75878415 _cell_length_c 4.75878415 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaFeOsPb _chemical_formula_sum 'Ca1 Fe1 Os1 Pb1' _cell_volume 76.20316690 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Fe Fe1 1 1.68248427 1.68248427 1.68248427 1 Os Os2 1 3.36496854 3.36496854 3.36496854 1 Pb Pb3 1 5.04745281 5.04745281 5.04745281 1 [/CIF]
CaFeOsPb
F-43m
216
cubic
-43m
10,750.628399
false
[CIF] data_Ba2TcSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.56502677 _cell_length_b 3.56502677 _cell_length_c 9.75611165 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2TcSe _chemical_formula_sum 'Ba2 Tc1 Se1' _cell_volume 123.99448040 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.95503664 1 Ba Ba1 1 1.78251339 1.78251339 3.23987336 1 Se Se2 1 0.00000000 0.00000000 5.65214787 1 Tc Tc3 1 1.78251339 1.78251339 6.54322116 1 [/CIF]
Ba2SeTc
P4mm
99
tetragonal
4mm
6,060.179104
false
[CIF] data_Zr2BeSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57511176 _cell_length_b 4.57511176 _cell_length_c 4.57511176 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2BeSi _chemical_formula_sum 'Zr2 Be1 Si1' _cell_volume 67.71581726 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Si Si1 1 4.85263883 4.85263883 4.85263883 1 Zr Zr2 1 3.23509255 3.23509255 3.23509255 1 Zr Zr3 1 1.61754628 1.61754628 1.61754628 1 [/CIF]
BeSiZr2
F-43m
216
cubic
-43m
5,383.737458
false
[CIF] data_LiMnRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29934375 _cell_length_b 4.29934375 _cell_length_c 4.29934375 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMnRh2 _chemical_formula_sum 'Li1 Mn1 Rh2' _cell_volume 56.19420253 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mn Mn1 1 4.56014268 4.56014268 4.56014268 1 Rh Rh2 1 3.04009512 3.04009512 3.04009512 1 Rh Rh3 1 1.52004756 1.52004756 1.52004756 1 [/CIF]
LiMnRh2
F-43m
216
cubic
-43m
7,910.242649
false
[CIF] data_RbTiS2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.93654356 _cell_length_b 7.93654356 _cell_length_c 7.93654356 _cell_angle_alpha 26.84818926 _cell_angle_beta 26.84818926 _cell_angle_gamma 26.84818926 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbTiS2 _chemical_formula_sum 'Rb1 Ti1 S2' _cell_volume 89.91961475 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Rb Rb0 1 -0.00000000 -0.00000000 18.76397608 1 Ti Ti1 1 -0.00000000 -0.00000000 22.63655902 1 S S2 1 -0.00000000 -0.00000000 13.61816396 1 S S3 1 0.00000000 0.00000000 8.70354570 1 [/CIF]
RbS2Ti
R3m
160
trigonal
3m
3,646.568454
false
[CIF] data_K2CoPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.14593278 _cell_length_b 4.14593278 _cell_length_c 5.19685257 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2CoPt _chemical_formula_sum 'K2 Co1 Pt1' _cell_volume 89.32744439 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 K K1 1 0.00000000 2.07296639 2.59842629 1 K K2 1 2.07296639 0.00000000 2.59842629 1 Pt Pt3 1 2.07296639 2.07296639 0.00000000 1 [/CIF]
CoK2Pt
P4/mmm
123
tetragonal
4/mmm
6,176.03489
false
[CIF] data_Al2CuNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00900575 _cell_length_b 4.00900575 _cell_length_c 4.85948284 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2CuNi2 _chemical_formula_sum 'Al2 Cu1 Ni2' _cell_volume 67.63851171 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.31460055 3.20906081 1 Al Al1 1 2.00450288 1.15730027 1.65042203 1 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1 Ni Ni3 1 0.00000000 2.31460055 0.77287941 1 Ni Ni4 1 2.00450288 1.15730027 4.08660343 1 [/CIF]
Al2CuNi2
P-3m1
164
trigonal
-3m
5,766.782775
false
[CIF] data_TaSnPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.67990147 _cell_length_b 5.15659908 _cell_length_c 5.23783802 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaSnPb2 _chemical_formula_sum 'Ta1 Sn1 Pb2' _cell_volume 99.39204379 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.83995073 0.00000000 2.61891901 1 Pb Pb1 1 0.00000000 2.57829954 2.61891901 1 Sn Sn2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 1.83995073 2.57829954 0.00000000 1 [/CIF]
Pb2SnTa
Pmmm
47
orthorhombic
mmm
11,929.737636
false
[CIF] data_SrCoB4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58822005 _cell_length_b 4.58822005 _cell_length_c 4.58822005 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCoB4 _chemical_formula_sum 'Sr1 Co1 B4' _cell_volume 68.29953029 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 2.61766955 2.61766955 3.87105347 1 B B1 1 2.61766955 3.87105347 2.61766955 1 B B2 1 3.87105347 2.61766955 2.61766955 1 B B3 1 3.87105347 3.87105347 3.87105347 1 Co Co4 1 0.00000000 0.00000000 0.00000000 1 Sr Sr5 1 1.62218075 1.62218075 1.62218075 1 [/CIF]
B4CoSr
F-43m
216
cubic
-43m
4,614.463023
false
[CIF] data_NbGaW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.72922715 _cell_length_b 2.72922715 _cell_length_c 8.85120856 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbGaW2 _chemical_formula_sum 'Nb1 Ga1 W2' _cell_volume 65.92982758 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.38483420 1 Nb Nb1 1 1.36461357 1.36461357 6.55130840 1 W W2 1 0.00000000 0.00000000 0.04124442 1 W W3 1 1.36461357 1.36461357 2.29942582 1 [/CIF]
GaNbW2
P4mm
99
tetragonal
4mm
13,356.616803
false
[CIF] data_LaGaCuPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15084612 _cell_length_b 5.15084612 _cell_length_c 5.15084612 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaGaCuPb _chemical_formula_sum 'La1 Ga1 Cu1 Pb1' _cell_volume 96.63194677 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 1.82109911 1.82109911 1.82109911 1 La La2 1 5.46329733 5.46329733 5.46329733 1 Pb Pb3 1 3.64219822 3.64219822 3.64219822 1 [/CIF]
CuGaLaPb
F-43m
216
cubic
-43m
8,237.648744
false
[CIF] data_CaPRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.83249682 _cell_length_b 5.83249682 _cell_length_c 5.83249682 _cell_angle_alpha 148.92894071 _cell_angle_beta 148.92894071 _cell_angle_gamma 44.51591231 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaPRu _chemical_formula_sum 'Ca1 P1 Ru1' _cell_volume 52.69043563 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.74800571 1 P P1 1 -0.00000000 0.00000000 3.21625163 1 Ru Ru2 1 -0.00000000 0.00000000 7.62736394 1 [/CIF]
CaPRu
I4mm
107
tetragonal
4mm
5,424.41729
false
[CIF] data_Li2TiSn3(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.86718546 _cell_length_b 8.86718546 _cell_length_c 8.86718546 _cell_angle_alpha 58.91085749 _cell_angle_beta 58.91085749 _cell_angle_gamma 58.91085749 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2TiSn3(PO4)6 _chemical_formula_sum 'Li2 Ti1 Sn3 P6 O24' _cell_volume 480.74059965 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.06947965 1 Li Li1 1 -0.00000000 0.00000000 10.94281525 1 Ti Ti2 1 -0.00000000 0.00000000 3.16374380 1 Sn Sn3 1 -0.00000000 -0.00000000 18.71906198 1 Sn Sn4 1 0.00000000 -0.00000000 14.09044275 1 Sn Sn5 1 -0.00000000 0.00000000 7.76877980 1 P P6 1 1.27122842 -2.82817158 12.75329338 1 P P7 1 -3.08488264 0.31316968 12.75329338 1 P P8 1 1.81365422 2.51500190 12.75329338 1 P P9 1 -1.77663001 -2.53264693 9.12624242 1 P P10 1 3.08165158 -0.27228326 9.12624242 1 P P11 1 -1.30502157 2.80493019 9.12624242 1 O O12 1 -1.02777387 -1.42618858 15.14023584 1 O O13 1 1.74900248 -0.17698399 15.14023584 1 O O14 1 2.80958841 -2.66052241 12.76651926 1 O O15 1 -0.72122861 1.60317257 15.14023584 1 O O16 1 0.57452710 -1.44027137 12.69349957 1 O O17 1 0.77321337 1.42059977 4.22371906 1 O O18 1 -3.70887419 -1.10291373 12.76651926 1 O O19 1 -1.53457515 0.22258062 12.69349957 1 O O20 1 0.96004805 1.21769075 12.69349957 1 O O21 1 -2.63430008 -2.36536783 10.38462774 1 O O22 1 -0.87067280 -3.78817795 9.19967086 1 O O23 1 3.36561867 -1.09868688 10.38462774 1 O O24 1 0.84366881 -1.37992230 4.22371906 1 O O25 1 0.89928579 3.76343614 12.76651926 1 O O26 1 -1.61688217 -0.04067747 4.22371906 1 O O27 1 -0.86875422 -1.27732234 9.12664387 1 O O28 1 1.54057071 -0.11370206 9.12664387 1 O O29 1 3.71599474 1.14006421 9.19967086 1 O O30 1 -0.73131858 3.46405471 10.38462774 1 O O31 1 -0.67181648 1.39102440 9.12664387 1 O O32 1 0.79812873 -1.57090349 6.76844507 1 O O33 1 -2.84532193 2.64811374 9.19967086 1 O O34 1 -1.75950670 0.09425199 6.76844507 1 O O35 1 0.96137797 1.47665150 6.76844507 1 [/CIF]
Li2O24P6Sn3Ti
R3
146
trigonal
3
3,411.665937
false
[CIF] data_BaPb2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.88839002 _cell_length_b 6.88839002 _cell_length_c 6.88839002 _cell_angle_alpha 140.40570690 _cell_angle_beta 140.40570690 _cell_angle_gamma 57.23780569 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaPb2Au _chemical_formula_sum 'Ba1 Pb2 Au1' _cell_volume 131.65234329 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.04680096 1 Ba Ba1 1 0.00000000 0.00000000 0.00000000 1 Pb Pb2 1 2.33303613 -0.00000000 3.02340048 1 Pb Pb3 1 -0.00000000 2.33303613 3.02340048 1 [/CIF]
AuBaPb2
I4/mmm
139
tetragonal
4/mmm
9,443.317826
false
[CIF] data_Tl2ReHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10917442 _cell_length_b 5.10917442 _cell_length_c 5.10917442 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2ReHg _chemical_formula_sum 'Tl2 Re1 Hg1' _cell_volume 94.30553649 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.41909782 5.41909782 5.41909782 1 Re Re1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 1.80636594 1.80636594 1.80636594 1 Tl Tl3 1 3.61273188 3.61273188 3.61273188 1 [/CIF]
HgReTl2
F-43m
216
cubic
-43m
14,008.34444
false
[CIF] data_CrReGeIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36409509 _cell_length_b 4.36409509 _cell_length_c 4.36409509 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrReGeIr _chemical_formula_sum 'Cr1 Re1 Ge1 Ir1' _cell_volume 58.77161398 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 3.08588123 3.08588123 3.08588123 1 Ir Ir2 1 1.54294062 1.54294062 1.54294062 1 Ge Ge3 1 4.62882185 4.62882185 4.62882185 1 [/CIF]
CrGeIrRe
F-43m
216
cubic
-43m
14,213.51044
false
[CIF] data_HgPdAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17191634 _cell_length_b 4.17191634 _cell_length_c 4.17782808 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgPdAu2 _chemical_formula_sum 'Hg1 Pd1 Au2' _cell_volume 72.71462124 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.08595817 2.08891404 1 Au Au1 1 2.08595817 0.00000000 2.08891404 1 Hg Hg2 1 2.08595817 2.08595817 0.00000000 1 Pd Pd3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2HgPd
P4/mmm
123
tetragonal
4/mmm
16,007.007177
false
[CIF] data_ZrAl2Ga _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71174176 _cell_length_b 4.71174176 _cell_length_c 4.71174176 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrAl2Ga _chemical_formula_sum 'Zr1 Al2 Ga1' _cell_volume 73.96554157 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.66585227 1.66585228 1.66585228 1 Al Al1 1 4.99755683 4.99755683 4.99755683 1 Ga Ga2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 3.33170455 3.33170455 3.33170455 1 [/CIF]
Al2GaZr
Fm-3m
225
cubic
m-3m
4,824.768013
false
[CIF] data_KMgBeV _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05293347 _cell_length_b 5.05293347 _cell_length_c 5.05293347 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KMgBeV _chemical_formula_sum 'K1 Mg1 Be1 V1' _cell_volume 91.22539277 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.35944528 5.35944528 5.35944528 1 Mg Mg2 1 1.78648176 1.78648176 1.78648176 1 V V3 1 3.57296352 3.57296352 3.57296352 1 [/CIF]
BeKMgV
F-43m
216
cubic
-43m
2,245.417438
false
[CIF] data_SrZnCdFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03107507 _cell_length_b 5.03107507 _cell_length_c 5.03107507 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrZnCdFe _chemical_formula_sum 'Sr1 Zn1 Cd1 Fe1' _cell_volume 90.04661579 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.77875365 1.77875365 1.77875365 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 3.55750730 3.55750730 3.55750730 1 Zn Zn3 1 5.33626095 5.33626095 5.33626095 1 [/CIF]
CdFeSrZn
F-43m
216
cubic
-43m
5,924.244167
false
[CIF] data_Na2CaMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55554194 _cell_length_b 4.55554194 _cell_length_c 5.59308186 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2CaMo _chemical_formula_sum 'Na2 Ca1 Mo1' _cell_volume 116.07301736 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 2.27777097 2.27777097 0.00000000 1 Na Na2 1 2.27777097 0.00000000 2.79654093 1 Na Na3 1 0.00000000 2.27777097 2.79654093 1 [/CIF]
CaMoNa2
P4/mmm
123
tetragonal
4/mmm
2,603.940524
false
[CIF] data_NpCo2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27517963 _cell_length_b 4.27517963 _cell_length_c 4.27517963 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NpCo2Si _chemical_formula_sum 'Np1 Co2 Si1' _cell_volume 55.25201288 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.53451276 4.53451276 4.53451276 1 Co Co1 1 1.51150425 1.51150425 1.51150425 1 Np Np2 1 3.02300851 3.02300851 3.02300851 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Co2NpSi
Fm-3m
225
cubic
m-3m
11,509.202142
false
[CIF] data_AlZn2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22505493 _cell_length_b 3.22505493 _cell_length_c 8.02878861 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 96.57931016 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlZn2Bi _chemical_formula_sum 'Al1 Zn2 Bi1' _cell_volume 82.95730229 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 4.43043031 1 Bi Bi1 1 2.14583916 0.00000000 1.96132692 1 Zn Zn2 1 0.00000000 0.00000000 7.61514703 1 Zn Zn3 1 2.14583916 0.00000000 6.06506727 1 [/CIF]
AlBiZn2
Cmm2
35
orthorhombic
mm2
7,340.596775
false
[CIF] data_Al2OsRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24997790 _cell_length_b 4.24997790 _cell_length_c 3.01824307 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2OsRu _chemical_formula_sum 'Al2 Os1 Ru1' _cell_volume 54.51644848 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.12498895 1.50912154 1 Al Al1 1 2.12498895 0.00000000 1.50912154 1 Os Os2 1 2.12498895 2.12498895 0.00000000 1 Ru Ru3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al2OsRu
P4/mmm
123
tetragonal
4/mmm
10,516.510961
false
[CIF] data_ZnTc2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64716538 _cell_length_b 4.64716538 _cell_length_c 4.64716538 _cell_angle_alpha 129.67458373 _cell_angle_beta 129.67458373 _cell_angle_gamma 73.92753451 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnTc2Ge _chemical_formula_sum 'Zn1 Tc2 Ge1' _cell_volume 57.98911323 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.97592955 0.00000000 1.85657958 1 Tc Tc1 1 0.00000000 -0.00000000 3.71315915 1 Tc Tc2 1 -0.00000000 1.97592955 1.85657958 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GeTc2Zn
I-4m2
119
tetragonal
-42m
9,616.681286
false
[CIF] data_Ba2CrFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05479824 _cell_length_b 4.05479824 _cell_length_c 8.21034567 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2CrFe _chemical_formula_sum 'Ba2 Cr1 Fe1' _cell_volume 134.98948507 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.02739912 2.02739912 6.01783830 1 Ba Ba1 1 2.02739912 2.02739912 2.19250737 1 Cr Cr2 1 0.00000000 0.00000000 0.00000000 1 Fe Fe3 1 0.00000000 0.00000000 4.10517284 1 [/CIF]
Ba2CrFe
P4/mmm
123
tetragonal
4/mmm
4,705.166895
false
[CIF] data_ZnAgBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68895987 _cell_length_b 4.68895987 _cell_length_c 4.68895987 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnAgBi _chemical_formula_sum 'Zn1 Ag1 Bi1' _cell_volume 72.89782143 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.97339298 4.97339298 4.97339298 1 Bi Bi1 1 3.31559532 3.31559532 3.31559532 1 Zn Zn2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgBiZn
F-43m
216
cubic
-43m
8,706.783141
false
[CIF] data_KSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.96739639 _cell_length_b 3.96739639 _cell_length_c 10.30092463 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSi _chemical_formula_sum 'K2 Si2' _cell_volume 140.41646302 _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 1.98369820 1.14528869 8.13199078 1 K K1 1 0.00000000 2.29057737 2.16893385 1 Si Si2 1 1.98369820 1.14528869 4.76067801 1 Si Si3 1 0.00000000 2.29057737 5.54024662 1 [/CIF]
K2Si2
P-3m1
164
trigonal
-3m
1,589.006332
false
[CIF] data_ScHg2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.47074341 _cell_length_b 5.47074341 _cell_length_c 5.47074341 _cell_angle_alpha 142.20605963 _cell_angle_beta 129.46193365 _cell_angle_gamma 64.79962239 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScHg2Os _chemical_formula_sum 'Sc1 Hg2 Os1' _cell_volume 76.44922680 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 1.77179538 -0.00000000 0.00010873 1 Hg Hg1 1 0.00000000 0.00000000 2.39602604 1 Os Os2 1 0.00000000 2.33529169 0.09809080 1 Sc Sc3 1 0.00000000 -0.00000000 6.74399661 1 [/CIF]
Hg2OsSc
Imm2
44
orthorhombic
mm2
13,822.382538
false
[CIF] data_Mn2Al _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68110422 _cell_length_b 4.68110422 _cell_length_c 15.31854387 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2Al _chemical_formula_sum 'Mn16 Al8' _cell_volume 290.69980316 _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 Al Al0 1 0.00000000 0.00000000 9.05970225 1 Al Al1 1 0.00000000 0.00000000 6.25884162 1 Al Al2 1 0.00000000 0.00000000 1.40043032 1 Al Al3 1 0.00000000 0.00000000 13.91811355 1 Al Al4 1 -0.00000000 2.70263678 5.27675353 1 Al Al5 1 2.34055211 1.35131839 10.04179034 1 Al Al6 1 2.34055211 1.35131839 12.93602547 1 Al Al7 1 -0.00000000 2.70263678 2.38251840 1 Mn Mn8 1 -0.00000000 2.70263678 9.66749428 1 Mn Mn9 1 2.34055211 1.35131839 5.65104959 1 Mn Mn10 1 2.34055211 1.35131839 2.00822235 1 Mn Mn11 1 -0.00000000 2.70263678 13.31032152 1 Mn Mn12 1 1.17027606 2.02697759 7.65927193 1 Mn Mn13 1 2.34055211 0.00000000 7.65927193 1 Mn Mn14 1 -1.17027606 2.02697759 7.65927193 1 Mn Mn15 1 1.17027606 2.02697759 0.00000000 1 Mn Mn16 1 2.34055211 0.00000000 0.00000000 1 Mn Mn17 1 -1.17027606 2.02697759 0.00000000 1 Mn Mn18 1 -1.23327504 3.41466846 11.48890790 1 Mn Mn19 1 -0.00000000 1.27857344 11.48890790 1 Mn Mn20 1 1.23327504 3.41466846 11.48890790 1 Mn Mn21 1 3.57382715 0.63928672 3.82963597 1 Mn Mn22 1 2.34055211 2.77538174 3.82963597 1 Mn Mn23 1 1.10727708 0.63928672 3.82963597 1 [/CIF]
Al8Mn16
P6_3/mmc
194
hexagonal
6/mmm
6,254.078916
false
[CIF] data_KCrInCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01500504 _cell_length_b 5.01500504 _cell_length_c 5.01500504 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCrInCu _chemical_formula_sum 'K1 Cr1 In1 Cu1' _cell_volume 89.18650043 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.77307203 1.77307203 1.77307203 1 Cu Cu1 1 5.31921611 5.31921611 5.31921610 1 In In2 1 3.54614407 3.54614407 3.54614407 1 K K3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CrCuInK
F-43m
216
cubic
-43m
5,016.972276
false