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_FeTcGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.27738507 _cell_length_b 3.27738507 _cell_length_c 5.32292299 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeTcGe2 _chemical_formula_sum 'Fe1 Tc1 Ge2' _cell_volume 57.17486199 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.14863513 1 Ge Ge1 1 1.63869253 1.63869253 5.17243012 1 Ge Ge2 1 0.00000000 0.00000000 1.43573653 1 Tc Tc3 1 1.63869253 1.63869253 2.55050570 1 [/CIF]
FeGe2Tc
P4mm
99
tetragonal
4mm
8,713.856256
false
[CIF] data_LiZrP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56775285 _cell_length_b 5.29421416 _cell_length_c 5.29421416 _cell_angle_alpha 31.86382084 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiZrP2 _chemical_formula_sum 'Li1 Zr1 P2' _cell_volume 67.58635701 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.62273839 1 P P1 1 0.00000000 0.00000000 0.07010862 1 P P2 1 2.28387643 0.00000000 7.67063620 1 Zr Zr3 1 2.28387643 0.00000000 4.90908443 1 [/CIF]
LiP2Zr
Amm2
38
orthorhombic
mm2
3,933.955551
false
[CIF] data_SiPb2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.54971641 _cell_length_b 3.54971641 _cell_length_c 8.16562309 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiPb2Cl _chemical_formula_sum 'Si1 Pb2 Cl1' _cell_volume 102.89082426 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.08281155 1 Pb Pb1 1 1.77485821 1.77485821 6.26940226 1 Pb Pb2 1 1.77485821 1.77485821 1.89622083 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
ClPb2Si
P4/mmm
123
tetragonal
4/mmm
7,713.524695
false
[CIF] data_HfCu2Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.36705753 _cell_length_b 3.36705753 _cell_length_c 5.27318662 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCu2Tc _chemical_formula_sum 'Hf1 Cu2 Tc1' _cell_volume 59.78251964 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.68352876 1.68352876 1.24352914 1 Cu Cu1 1 1.68352876 1.68352876 4.02965748 1 Hf Hf2 1 0.00000000 0.00000000 2.63659331 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cu2HfTc
P4/mmm
123
tetragonal
4/mmm
11,235.198218
false
[CIF] data_SmYU2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48156221 _cell_length_b 5.48156221 _cell_length_c 5.48156221 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmYU2 _chemical_formula_sum 'Sm1 Y1 U2' _cell_volume 116.46570079 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sm Sm0 1 3.87604981 3.87604981 3.87604981 1 U U1 1 1.93802491 1.93802491 1.93802491 1 U U2 1 5.81407472 5.81407472 5.81407472 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
SmU2Y
Fm-3m
225
cubic
m-3m
10,198.907415
false
[CIF] data_MnBe2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95776648 _cell_length_b 3.95776648 _cell_length_c 2.67925761 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnBe2Pt _chemical_formula_sum 'Mn1 Be2 Pt1' _cell_volume 41.96766474 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 1.97888324 0.00000000 1.33962881 1 Be Be1 1 0.00000000 1.97888324 1.33962881 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 1.97888324 1.97888324 0.00000000 1 [/CIF]
Be2MnPt
P4/mmm
123
tetragonal
4/mmm
10,606.104606
false
[CIF] data_YMoIrPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62454323 _cell_length_b 4.62454323 _cell_length_c 4.62454323 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YMoIrPt _chemical_formula_sum 'Y1 Mo1 Ir1 Pt1' _cell_volume 69.93450958 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.63502294 1.63502294 1.63502294 1 Mo Mo1 1 4.90506882 4.90506882 4.90506882 1 Pt Pt2 1 3.27004588 3.27004588 3.27004588 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrMoPtY
F-43m
216
cubic
-43m
13,585.644808
false
[CIF] data_Ta2VIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90175265 _cell_length_b 4.90175265 _cell_length_c 4.90175265 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2VIn _chemical_formula_sum 'Ta2 V1 In1' _cell_volume 83.27970529 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.46606254 3.46606254 3.46606254 1 Ta Ta1 1 5.19909381 5.19909381 5.19909381 1 Ta Ta2 1 1.73303127 1.73303127 1.73303127 1 V V3 1 0.00000000 -0.00000000 0.00000000 1 [/CIF]
InTa2V
Fm-3m
225
cubic
m-3m
10,521.076772
false
[CIF] data_KB4Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30342049 _cell_length_b 5.30342049 _cell_length_c 5.30342049 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KB4Cl _chemical_formula_sum 'K1 B4 Cl1' _cell_volume 105.47588744 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.15802739 3.15802739 4.34214179 1 B B1 1 3.15802739 4.34214179 3.15802739 1 B B2 1 4.34214179 3.15802739 3.15802739 1 B B3 1 4.34214179 4.34214179 4.34214179 1 Cl Cl4 1 0.00000000 0.00000000 0.00000000 1 K K5 1 1.87504230 1.87504230 1.87504230 1 [/CIF]
B4ClK
F-43m
216
cubic
-43m
1,854.487336
false
[CIF] data_Mn2InRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45353067 _cell_length_b 4.45353067 _cell_length_c 4.45353067 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2InRu _chemical_formula_sum 'Mn2 In1 Ru1' _cell_volume 62.45947737 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.14912174 3.14912174 3.14912174 1 Mn Mn1 1 4.72368261 4.72368261 4.72368261 1 Mn Mn2 1 1.57456087 1.57456087 1.57456087 1 Ru Ru3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InMn2Ru
Fm-3m
225
cubic
m-3m
8,660.719249
false
[CIF] data_SrScCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.89720649 _cell_length_b 6.89720649 _cell_length_c 6.89720649 _cell_angle_alpha 151.74944526 _cell_angle_beta 151.74944526 _cell_angle_gamma 40.37930900 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrScCo _chemical_formula_sum 'Sr1 Sc1 Co1' _cell_volume 73.36211018 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 12.64071747 1 Sc Sc1 1 0.00000000 -0.00000000 4.97700431 1 Sr Sr2 1 -0.00000000 -0.00000000 8.27591857 1 [/CIF]
CoScSr
I4mm
107
tetragonal
4mm
4,334.789425
false
[CIF] data_NaBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03224438 _cell_length_b 5.03224438 _cell_length_c 5.65201453 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaBi _chemical_formula_sum 'Na2 Bi2' _cell_volume 123.95308754 _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 2.51612219 1.45268382 4.23901090 1 Bi Bi1 1 0.00000000 2.90536765 1.41300363 1 Na Na2 1 0.00000000 0.00000000 2.82600726 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Bi2Na2
P6_3/mmc
194
hexagonal
6/mmm
6,215.182467
false
[CIF] data_Si3Hg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.16210591 _cell_length_b 5.97516725 _cell_length_c 8.10417254 _cell_angle_alpha 58.85889819 _cell_angle_beta 45.56564812 _cell_angle_gamma 75.57545369 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si3Hg2 _chemical_formula_sum 'Si6 Hg4' _cell_volume 208.30762372 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 3.59675908 7.22820627 4.01103922 1 Hg Hg1 1 6.41168488 5.52097017 4.01103922 1 Hg Hg2 1 6.09887007 8.70826428 5.64355155 1 Hg Hg3 1 8.91379587 10.41550038 5.64355155 1 Si Si4 1 5.41952792 8.19335685 2.19428144 1 Si Si5 1 4.58891604 4.55581959 2.19428144 1 Si Si6 1 7.92163891 7.74311370 3.82679378 1 Si Si7 1 2.08680505 5.00606274 3.82679378 1 Si Si8 1 5.00422198 6.37458822 0.64945742 1 Si Si9 1 2.50211099 3.18729411 2.28196975 1 [/CIF]
Hg4Si6
Fdd2
43
orthorhombic
mm2
7,739.383304
false
[CIF] data_KCu2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29373895 _cell_length_b 4.70148226 _cell_length_c 5.91131244 _cell_angle_alpha 90.00000000 _cell_angle_beta 105.52712410 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCu2Sb _chemical_formula_sum 'K1 Cu2 Sb1' _cell_volume 114.97615992 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00554640 0.00000000 0.11912472 1 Cu Cu1 1 3.17780785 2.35074113 0.73895943 1 K K2 1 1.45620527 0.00000000 2.75392882 1 Sb Sb3 1 -0.57259012 2.35074113 4.93134539 1 [/CIF]
Cu2KSb
Pm
6
monoclinic
m
4,158.711882
false
[CIF] data_ScTaZnRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52856528 _cell_length_b 4.52856528 _cell_length_c 4.52856528 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTaZnRh _chemical_formula_sum 'Sc1 Ta1 Zn1 Rh1' _cell_volume 65.66998248 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Rh Rh0 1 3.20217922 3.20217922 3.20217922 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 4.80326883 4.80326883 4.80326883 1 Zn Zn3 1 1.60108961 1.60108961 1.60108961 1 [/CIF]
RhScTaZn
F-43m
216
cubic
-43m
9,967.517796
false
[CIF] data_CsKO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97797345 _cell_length_b 4.97797345 _cell_length_c 4.97797345 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsKO3 _chemical_formula_sum 'Cs1 K1 O3' _cell_volume 123.35527560 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cs Cs0 1 2.48898673 2.48898673 2.48898673 1 K K1 1 0.00000000 0.00000000 0.00000000 1 O O2 1 0.00000000 0.00000000 2.48898673 1 O O3 1 0.00000000 2.48898673 0.00000000 1 O O4 1 2.48898673 0.00000000 0.00000000 1 [/CIF]
CsKO3
Pm-3m
221
cubic
m-3m
2,961.542051
false
[CIF] data_BeGeBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76403465 _cell_length_b 4.76403465 _cell_length_c 4.76403465 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeGeBi _chemical_formula_sum 'Be1 Ge1 Bi1' _cell_volume 76.45567697 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.68434061 1.68434061 1.68434061 1 Ge Ge2 1 3.36868121 3.36868121 3.36868121 1 [/CIF]
BeBiGe
F-43m
216
cubic
-43m
6,312.242277
false
[CIF] data_SiBiTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95659455 _cell_length_b 4.95659455 _cell_length_c 4.95659455 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiBiTe _chemical_formula_sum 'Si1 Bi1 Te1' _cell_volume 86.10635156 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.25726243 5.25726243 5.25726243 1 Si Si1 1 -0.00000000 -0.00000000 0.00000000 1 Te Te2 1 1.75242081 1.75242081 1.75242081 1 [/CIF]
BiSiTe
F-43m
216
cubic
-43m
7,032.489035
false
[CIF] data_BaAlBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05169483 _cell_length_b 5.37833329 _cell_length_c 6.24001670 _cell_angle_alpha 90.00000000 _cell_angle_beta 102.23703790 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaAlBr2 _chemical_formula_sum 'Ba1 Al1 Br2' _cell_volume 132.88892663 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.26034266 0.00000000 2.52735672 1 Ba Ba1 1 0.58616276 2.68916664 4.74510841 1 Br Br2 1 2.53919190 0.00000000 5.95421181 1 Br Br3 1 2.46285557 2.68916664 2.01891755 1 [/CIF]
AlBaBr2
Pm
6
monoclinic
m
4,050.060363
false
[CIF] data_NaNbZnHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73444055 _cell_length_b 4.73444055 _cell_length_c 4.73444055 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaNbZnHg _chemical_formula_sum 'Na1 Nb1 Zn1 Hg1' _cell_volume 75.03968555 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.67387751 1.67387751 1.67387751 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 5.02163253 5.02163253 5.02163253 1 Zn Zn3 1 3.34775502 3.34775502 3.34775502 1 [/CIF]
HgNaNbZn
F-43m
216
cubic
-43m
8,450.244087
false
[CIF] data_Ba2TiPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62656658 _cell_length_b 3.62656658 _cell_length_c 9.90000644 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2TiPt _chemical_formula_sum 'Ba2 Ti1 Pt1' _cell_volume 130.20473777 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 1.81328329 1.81328329 9.23354731 1 Ba Ba1 1 0.00000000 0.00000000 3.26412677 1 Pt Pt2 1 1.81328329 1.81328329 5.79521607 1 Ti Ti3 1 0.00000000 0.00000000 6.45712595 1 [/CIF]
Ba2PtTi
P4mm
99
tetragonal
4mm
6,601.167809
false
[CIF] data_AlCrW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35253785 _cell_length_b 4.35253785 _cell_length_c 4.35253785 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCrW2 _chemical_formula_sum 'Al1 Cr1 W2' _cell_volume 58.30592262 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Cr Cr1 1 3.07770903 3.07770903 3.07770903 1 W W2 1 4.61656354 4.61656354 4.61656355 1 W W3 1 1.53885451 1.53885452 1.53885452 1 [/CIF]
AlCrW2
Fm-3m
225
cubic
m-3m
12,720.705289
false
[CIF] data_Ca2NiRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54359211 _cell_length_b 5.54359211 _cell_length_c 5.54359211 _cell_angle_alpha 136.21608097 _cell_angle_beta 136.21608097 _cell_angle_gamma 63.64644702 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2NiRh _chemical_formula_sum 'Ca2 Ni1 Rh1' _cell_volume 80.49606195 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ca Ca1 1 2.06697030 -0.00000000 2.35513700 1 Ni Ni2 1 0.00000000 0.00000000 4.71027399 1 Rh Rh3 1 0.00000000 2.06697030 2.35513700 1 [/CIF]
Ca2NiRh
I-4m2
119
tetragonal
-42m
4,987.119199
false
[CIF] data_Tl3CrTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44156299 _cell_length_b 5.44156299 _cell_length_c 5.44156299 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl3CrTe _chemical_formula_sum 'Tl3 Cr1 Te1' _cell_volume 161.12798738 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Tl Tl1 1 0.00000000 2.72078149 0.00000000 1 Tl Tl2 1 0.00000000 0.00000000 2.72078149 1 Tl Tl3 1 2.72078149 0.00000000 0.00000000 1 Te Te4 1 2.72078149 2.72078149 2.72078149 1 [/CIF]
CrTeTl3
Pm-3m
221
cubic
m-3m
8,169.814098
false
[CIF] data_TcAgRu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64671070 _cell_length_b 4.64671070 _cell_length_c 4.64671070 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcAgRu3 _chemical_formula_sum 'Tc1 Ag1 Ru3' _cell_volume 100.33140723 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ru Ru0 1 2.32335535 0.00000000 2.32335535 1 Ru Ru1 1 2.32335535 2.32335535 0.00000000 1 Ru Ru2 1 0.00000000 2.32335535 2.32335535 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 Ag Ag4 1 2.32335535 2.32335535 2.32335535 1 [/CIF]
AgRu3Tc
Pm-3m
221
cubic
m-3m
8,440.51771
false
[CIF] data_CoTcIrW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30903059 _cell_length_b 4.30903059 _cell_length_c 4.30903059 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoTcIrW _chemical_formula_sum 'Co1 Tc1 Ir1 W1' _cell_volume 56.57489199 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 4.57041713 4.57041713 4.57041713 1 Tc Tc2 1 3.04694475 3.04694475 3.04694475 1 W W3 1 1.52347238 1.52347238 1.52347238 1 [/CIF]
CoIrTcW
F-43m
216
cubic
-43m
15,670.48191
false
[CIF] data_TiAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68467426 _cell_length_b 4.68467426 _cell_length_c 2.72962348 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiAg2 _chemical_formula_sum 'Ti1 Ag2' _cell_volume 51.87906907 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.34233713 1.35234897 1.58935526 1 Ag Ag1 1 -0.00000000 2.70469795 1.14026822 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2Ti
P-3m1
164
trigonal
-3m
8,437.386246
false
[CIF] data_Eu2CrHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29915863 _cell_length_b 5.29915863 _cell_length_c 5.29915863 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Eu2CrHg _chemical_formula_sum 'Eu2 Cr1 Hg1' _cell_volume 105.22180860 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Eu Eu1 1 5.62060650 5.62060650 5.62060650 1 Eu Eu2 1 1.87353550 1.87353550 1.87353550 1 Hg Hg3 1 3.74707100 3.74707100 3.74707100 1 [/CIF]
CrEu2Hg
Fm-3m
225
cubic
m-3m
8,782.527277
false
[CIF] data_Dy2TcAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91426344 _cell_length_b 4.91426344 _cell_length_c 4.91426344 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Dy2TcAu _chemical_formula_sum 'Dy2 Tc1 Au1' _cell_volume 83.91900063 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.47490900 3.47490900 3.47490900 1 Dy Dy1 1 5.21236350 5.21236350 5.21236350 1 Dy Dy2 1 1.73745450 1.73745450 1.73745450 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuDy2Tc
Fm-3m
225
cubic
m-3m
12,285.459557
false
[CIF] data_YAlTl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.91818313 _cell_length_b 5.91818313 _cell_length_c 5.06190701 _cell_angle_alpha 111.24452138 _cell_angle_beta 111.24452138 _cell_angle_gamma 38.44495689 _symmetry_Int_Tables_number 1 _chemical_formula_structural YAlTl2 _chemical_formula_sum 'Y1 Al1 Tl2' _cell_volume 101.79442987 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Tl Tl1 1 1.46197134 0.00000000 3.57754296 1 Tl Tl2 1 7.77201046 0.00000000 1.09682270 1 Y Y3 1 4.61699090 -0.00000000 2.33718283 1 [/CIF]
AlTl2Y
C2/m
12
monoclinic
2/m
8,558.508021
false
[CIF] data_V2C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.77039860 _cell_length_b 2.77039860 _cell_length_c 5.19697255 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2C _chemical_formula_sum 'V2 C1' _cell_volume 34.54343905 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 V V1 1 1.38519930 0.79974519 3.90596531 1 V V2 1 1.38519930 0.79974519 1.29100724 1 [/CIF]
CV2
P-6m2
187
hexagonal
-6m2
5,474.990038
false
[CIF] data_ZrFe2Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27119806 _cell_length_b 4.27119806 _cell_length_c 4.27119806 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrFe2Co _chemical_formula_sum 'Zr1 Fe2 Co1' _cell_volume 55.09778412 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.02019311 3.02019311 3.02019311 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Fe Fe2 1 1.51009655 1.51009655 1.51009655 1 Zr Zr3 1 4.53028966 4.53028966 4.53028966 1 [/CIF]
CoFe2Zr
F-43m
216
cubic
-43m
7,891.5605
false
[CIF] data_K2NaTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.03686905 _cell_length_b 6.03686905 _cell_length_c 6.03686905 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2NaTe _chemical_formula_sum 'K2 Na1 Te1' _cell_volume 155.56799969 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 2.13435552 2.13435552 2.13435552 1 K K1 1 6.40306656 6.40306656 6.40306656 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 4.26871104 4.26871104 4.26871104 1 [/CIF]
K2NaTe
Fm-3m
225
cubic
m-3m
2,442.07488
false
[CIF] data_Al2FeSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.98657621 _cell_length_b 2.98657621 _cell_length_c 7.77240049 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2FeSb _chemical_formula_sum 'Al2 Fe1 Sb1' _cell_volume 69.32699455 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.36919470 1 Al Al1 1 1.49328811 1.49328811 2.29829004 1 Fe Fe2 1 0.00000000 0.00000000 3.66484508 1 Sb Sb3 1 1.49328811 1.49328811 5.32627100 1 [/CIF]
Al2FeSb
P4mm
99
tetragonal
4mm
5,546.581692
false
[CIF] data_Cr2AsPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.50658626 _cell_length_b 7.50658626 _cell_length_c 7.50658626 _cell_angle_alpha 27.30136251 _cell_angle_beta 27.30136251 _cell_angle_gamma 27.30136251 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2AsPb _chemical_formula_sum 'Cr2 As1 Pb1' _cell_volume 78.52221376 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 -0.00000000 0.00000000 -0.00000000 1 Cr Cr1 1 0.00000000 0.00000000 5.82629432 1 Cr Cr2 1 -0.00000000 0.00000000 15.84114925 1 Pb Pb3 1 0.00000000 0.00000000 10.83372178 1 [/CIF]
AsCr2Pb
R-3m
166
trigonal
-3m
8,165.295121
false
[CIF] data_CaMoW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64532736 _cell_length_b 4.64532736 _cell_length_c 4.64532736 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMoW2 _chemical_formula_sum 'Ca1 Mo1 W2' _cell_volume 70.88167582 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.28474248 3.28474248 3.28474248 1 W W2 1 1.64237124 1.64237124 1.64237124 1 W W3 1 4.92711372 4.92711372 4.92711372 1 [/CIF]
CaMoW2
Fm-3m
225
cubic
m-3m
11,800.559282
false
[CIF] data_NaY2Mn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31138466 _cell_length_b 5.31138466 _cell_length_c 5.31138466 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaY2Mn _chemical_formula_sum 'Na1 Y2 Mn1' _cell_volume 105.95178232 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.87785806 1.87785806 1.87785806 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 5.63357417 5.63357417 5.63357417 1 Y Y3 1 3.75571611 3.75571611 3.75571611 1 [/CIF]
MnNaY2
F-43m
216
cubic
-43m
4,008.101091
false
[CIF] data_LiHg4P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.93170572 _cell_length_b 5.93170572 _cell_length_c 5.93170572 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiHg4P _chemical_formula_sum 'Li1 Hg4 P1' _cell_volume 147.57873842 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 3.14664324 3.14664324 5.24205544 1 Hg Hg1 1 3.14664324 5.24205544 3.14664324 1 Hg Hg2 1 5.24205544 3.14664324 3.14664324 1 Hg Hg3 1 5.24205544 5.24205544 5.24205544 1 Li Li4 1 0.00000000 0.00000000 0.00000000 1 P P5 1 2.09717467 2.09717467 2.09717467 1 [/CIF]
Hg4LiP
F-43m
216
cubic
-43m
9,454.675409
false
[CIF] data_KY2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28336989 _cell_length_b 5.28336989 _cell_length_c 5.28336989 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KY2Si _chemical_formula_sum 'K1 Y2 Si1' _cell_volume 104.28408951 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.73590668 3.73590668 3.73590668 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 1.86795334 1.86795334 1.86795334 1 Y Y3 1 5.60386002 5.60386002 5.60386002 1 [/CIF]
KSiY2
Fm-3m
225
cubic
m-3m
3,901.118577
false
[CIF] data_BaZrInRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05152553 _cell_length_b 5.05152553 _cell_length_c 5.05152553 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaZrInRu _chemical_formula_sum 'Ba1 Zr1 In1 Ru1' _cell_volume 91.14915769 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 1.78598398 1.78598398 1.78598398 1 In In1 1 5.35795194 5.35795194 5.35795194 1 Ru Ru2 1 3.57196796 3.57196796 3.57196796 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaInRuZr
F-43m
216
cubic
-43m
8,096.710281
false
[CIF] data_LaCrSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83043194 _cell_length_b 4.83043194 _cell_length_c 3.54839749 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCrSe2 _chemical_formula_sum 'La1 Cr1 Se2' _cell_volume 82.79501670 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.41521597 2.41521597 0.00000000 1 Se Se2 1 2.41521597 0.00000000 1.77419875 1 Se Se3 1 0.00000000 2.41521597 1.77419875 1 [/CIF]
CrLaSe2
P4/mmm
123
tetragonal
4/mmm
6,995.974726
false
[CIF] data_KTiBe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11805768 _cell_length_b 5.11805768 _cell_length_c 2.59758765 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTiBe _chemical_formula_sum 'K1 Ti1 Be1' _cell_volume 58.92657439 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.02041745 1 K K1 1 0.00000000 2.95491198 1.26019565 1 Ti Ti2 1 2.55902884 1.47745599 1.31697455 1 [/CIF]
BeKTi
P3m1
156
trigonal
3m
2,704.626224
false
[CIF] data_AlCdAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25609976 _cell_length_b 3.25609976 _cell_length_c 6.80989224 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCdAu2 _chemical_formula_sum 'Al1 Cd1 Au2' _cell_volume 72.19974177 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Au Au1 1 1.62804988 1.62804988 1.47302491 1 Au Au2 1 1.62804988 1.62804988 5.33686733 1 Cd Cd3 1 0.00000000 0.00000000 3.40494612 1 [/CIF]
AlAu2Cd
P4/mmm
123
tetragonal
4/mmm
12,266.084332
false
[CIF] data_Cd2Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.09738609 _cell_length_b 7.74179348 _cell_length_c 2.68285801 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2Re _chemical_formula_sum 'Cd4 Re2' _cell_volume 126.64351791 _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 Cd Cd0 1 0.97963635 2.52295326 0.00000000 1 Cd Cd1 1 2.06905669 6.39385000 1.34142900 1 Cd Cd2 1 4.02832940 1.34794348 1.34142900 1 Cd Cd3 1 5.11774974 5.21884022 0.00000000 1 Re Re4 1 0.00000000 0.00000000 0.00000000 1 Re Re5 1 3.04869304 3.87089674 1.34142900 1 [/CIF]
Cd4Re2
Pnnm
58
orthorhombic
mmm
10,778.75478
false
[CIF] data_Si2TeRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.04122819 _cell_length_b 3.04122819 _cell_length_c 7.92812018 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si2TeRh _chemical_formula_sum 'Si2 Te1 Rh1' _cell_volume 73.32772964 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Si Si1 1 1.52061409 1.52061409 1.42871465 1 Si Si2 1 1.52061409 1.52061409 6.49940553 1 Te Te3 1 0.00000000 0.00000000 3.96406009 1 [/CIF]
RhSi2Te
P4/mmm
123
tetragonal
4/mmm
6,492.190224
false
[CIF] data_MnV2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08127050 _cell_length_b 3.59337036 _cell_length_c 5.02331885 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnV2Se _chemical_formula_sum 'Mn1 V2 Se1' _cell_volume 55.61892014 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.25249249 1 Se Se1 1 1.54063525 1.79668518 3.82584654 1 V V2 1 0.00000000 0.00000000 0.11807708 1 V V3 1 1.54063525 1.79668518 1.33856217 1 [/CIF]
MnSeV2
Pmm2
25
orthorhombic
mm2
7,039.396583
false
[CIF] data_BeAgSn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34001019 _cell_length_b 5.34001019 _cell_length_c 5.34001019 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeAgSn3 _chemical_formula_sum 'Be1 Ag1 Sn3' _cell_volume 152.27417572 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sn Sn1 1 2.67000510 0.00000000 2.67000510 1 Sn Sn2 1 2.67000510 2.67000510 0.00000000 1 Sn Sn3 1 0.00000000 2.67000510 2.67000510 1 Ag Ag4 1 2.67000510 2.67000510 2.67000510 1 [/CIF]
AgBeSn3
Pm-3m
221
cubic
m-3m
5,158.144607
false
[CIF] data_KScBeRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68971514 _cell_length_b 4.68971514 _cell_length_c 4.68971514 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KScBeRh _chemical_formula_sum 'K1 Sc1 Be1 Rh1' _cell_volume 72.93305319 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.31612938 3.31612938 3.31612938 1 Rh Rh2 1 1.65806469 1.65806469 1.65806469 1 Sc Sc3 1 4.97419407 4.97419407 4.97419407 1 [/CIF]
BeKRhSc
F-43m
216
cubic
-43m
4,461.886233
false
[CIF] data_AlCuSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.74611546 _cell_length_b 2.74611546 _cell_length_c 9.19094190 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCuSi2 _chemical_formula_sum 'Al1 Cu1 Si2' _cell_volume 60.02445671 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 1.37305774 0.79273524 4.59547095 1 Si Si2 1 0.00000000 0.00000000 2.61597533 1 Si Si3 1 0.00000000 0.00000000 6.57496657 1 [/CIF]
AlCuSi2
P-6m2
187
hexagonal
-6m2
4,058.344316
false
[CIF] data_Ba2TiSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38642738 _cell_length_b 7.12671749 _cell_length_c 7.12671749 _cell_angle_alpha 40.63289811 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2TiSi _chemical_formula_sum 'Ba2 Ti1 Si1' _cell_volume 145.08119951 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 -0.00000000 13.11993335 1 Ba Ba1 1 2.19321369 0.00000000 3.54656695 1 Si Si2 1 0.00000000 -0.00000000 9.01042998 1 Ti Ti3 1 2.19321369 -0.00000000 7.74510444 1 [/CIF]
Ba2SiTi
Amm2
38
orthorhombic
mm2
4,012.897672
false
[CIF] data_LaGeBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25877453 _cell_length_b 5.25877453 _cell_length_c 5.25877453 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaGeBi _chemical_formula_sum 'La1 Ge1 Bi1' _cell_volume 102.83445586 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.85925757 1.85925757 1.85925757 1 Ge Ge1 1 0.00000000 0.00000000 0.00000000 1 La La2 1 3.71851513 3.71851513 3.71851513 1 [/CIF]
BiGeLa
F-43m
216
cubic
-43m
6,790.522008
false
[CIF] data_NbReHgOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57084547 _cell_length_b 4.57084547 _cell_length_c 4.57084547 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbReHgOs _chemical_formula_sum 'Nb1 Re1 Hg1 Os1' _cell_volume 67.52655909 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.61603792 1.61603792 1.61603792 1 Nb Nb1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 3.23207583 3.23207583 3.23207583 1 Re Re3 1 4.84811375 4.84811375 4.84811375 1 [/CIF]
HgNbOsRe
F-43m
216
cubic
-43m
16,474.266785
false
[CIF] data_LiC2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46536719 _cell_length_b 4.46536719 _cell_length_c 4.46536719 _cell_angle_alpha 107.38151201 _cell_angle_beta 107.38151201 _cell_angle_gamma 113.73670370 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiC2 _chemical_formula_sum 'Li2 C4' _cell_volume 68.25374973 _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 0.45690113 2.18723568 0.00000000 1 C C1 1 2.18723568 0.45690113 2.44061165 1 C C2 1 3.10103794 0.45690113 -0.00000000 1 C C3 1 -0.45690113 2.18723568 2.44061165 1 Li Li4 1 0.00000000 0.00000000 3.66091748 1 Li Li5 1 0.00000000 0.00000000 1.22030583 1 [/CIF]
C4Li2
I4/mcm
140
tetragonal
4/mmm
1,506.562643
false
[CIF] data_InPdPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44718981 _cell_length_b 5.44718981 _cell_length_c 5.44718981 _cell_angle_alpha 145.70796547 _cell_angle_beta 145.70796547 _cell_angle_gamma 49.28073653 _symmetry_Int_Tables_number 1 _chemical_formula_structural InPdPt _chemical_formula_sum 'In1 Pd1 Pt1' _cell_volume 51.07309078 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.89886117 1 Pd Pd1 1 0.00000000 -0.00000000 3.35269096 1 Pt Pt2 1 0.00000000 -0.00000000 6.55317910 1 [/CIF]
InPdPt
I4mm
107
tetragonal
4mm
13,535.874463
false
[CIF] data_FeBi4Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.47025513 _cell_length_b 6.47025513 _cell_length_c 6.47025513 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeBi4Pb _chemical_formula_sum 'Fe1 Bi4 Pb1' _cell_volume 191.53547361 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.43090390 3.43090390 5.71941866 1 Bi Bi1 1 3.43090390 5.71941866 3.43090390 1 Bi Bi2 1 5.71941866 3.43090390 3.43090390 1 Bi Bi3 1 5.71941866 5.71941866 5.71941866 1 Fe Fe4 1 0.00000000 0.00000000 0.00000000 1 Pb Pb5 1 2.28758064 2.28758064 2.28758064 1 [/CIF]
Bi4FePb
F-43m
216
cubic
-43m
9,527.618763
false
[CIF] data_ZrP2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68400174 _cell_length_b 4.68400174 _cell_length_c 4.68400174 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrP2Cl _chemical_formula_sum 'Zr1 P2 Cl1' _cell_volume 72.66681811 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 0.00000000 0.00000000 0.00000000 1 P P1 1 4.96813409 4.96813409 4.96813408 1 P P2 1 1.65604470 1.65604470 1.65604470 1 Zr Zr3 1 3.31208939 3.31208939 3.31208939 1 [/CIF]
ClP2Zr
Fm-3m
225
cubic
m-3m
4,310.335847
false
[CIF] data_Zn2TeIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.32978144 _cell_length_b 3.32978144 _cell_length_c 6.49613132 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2TeIr _chemical_formula_sum 'Zn2 Te1 Ir1' _cell_volume 72.02549507 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.66489072 1.66489072 2.97689434 1 Te Te1 1 0.00000000 0.00000000 4.70478628 1 Zn Zn2 1 1.66489072 1.66489072 0.34222809 1 Zn Zn3 1 0.00000000 0.00000000 1.72028822 1 [/CIF]
IrTeZn2
P4mm
99
tetragonal
4mm
10,387.99817
false
[CIF] data_MgTc2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.74073947 _cell_length_b 4.83070038 _cell_length_c 4.73175497 _cell_angle_alpha 90.00000000 _cell_angle_beta 94.78511528 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTc2Pt _chemical_formula_sum 'Mg1 Tc2 Pt1' _cell_volume 62.42862263 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 1.17301069 0.00000000 2.35763137 1 Tc Tc2 1 1.78024455 2.41535019 1.15020154 1 Tc Tc3 1 0.56577683 2.41535019 3.56506120 1 [/CIF]
MgPtTc2
P2/m
10
monoclinic
2/m
11,097.140929
false
[CIF] data_AlBiBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.40335253 _cell_length_b 6.40335253 _cell_length_c 6.20136569 _cell_angle_alpha 107.58435031 _cell_angle_beta 107.58435031 _cell_angle_gamma 30.66163500 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlBiBr2 _chemical_formula_sum 'Al1 Bi1 Br2' _cell_volume 123.14486836 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 5.39569174 -0.00000000 2.18036335 1 Bi Bi1 1 0.60615589 0.00000000 4.15883319 1 Br Br2 1 0.03220578 -0.00000000 0.28722856 1 Br Br3 1 9.57849242 -0.00000000 2.20743743 1 [/CIF]
AlBiBr2
Cm
8
monoclinic
m
5,336.734313
false
[CIF] data_SrFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.46543117 _cell_length_b 3.46543117 _cell_length_c 8.89509856 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrFe _chemical_formula_sum 'Sr2 Fe2' _cell_volume 106.82313471 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 1.73271558 0.00000000 4.82933856 1 Fe Fe1 1 0.00000000 1.73271558 4.06576000 1 Sr Sr2 1 1.73271558 0.00000000 1.83610872 1 Sr Sr3 1 0.00000000 1.73271558 7.05898984 1 [/CIF]
Fe2Sr2
P4/nmm
129
tetragonal
4/mmm
4,460.381877
false
[CIF] data_Nb2SnP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.12789985 _cell_length_b 3.12789985 _cell_length_c 7.22802261 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2SnP _chemical_formula_sum 'Nb2 Sn1 P1' _cell_volume 70.71722022 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 1.56394992 1.56394992 5.80475304 1 Nb Nb1 1 1.56394992 1.56394992 1.42326957 1 P P2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 0.00000000 0.00000000 3.61401131 1 [/CIF]
Nb2PSn
P4/mmm
123
tetragonal
4/mmm
7,877.926759
false
[CIF] data_LaP3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.73801532 _cell_length_b 3.73801532 _cell_length_c 5.63597980 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaP3 _chemical_formula_sum 'La1 P3' _cell_volume 78.75018484 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.81798990 1 P P1 1 1.86900766 1.86900766 4.53587678 1 P P2 1 0.00000000 0.00000000 0.00000000 1 P P3 1 1.86900766 1.86900766 1.10010302 1 [/CIF]
LaP3
P4/mmm
123
tetragonal
4/mmm
4,888.336273
false
[CIF] data_TcAgMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.75970983 _cell_length_b 2.75970983 _cell_length_c 8.45326673 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcAgMo2 _chemical_formula_sum 'Tc1 Ag1 Mo2' _cell_volume 64.38006543 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.37985491 1.37985491 6.30147712 1 Mo Mo1 1 0.00000000 0.00000000 0.09536536 1 Mo Mo2 1 1.37985491 1.37985491 2.20544402 1 Tc Tc3 1 0.00000000 0.00000000 4.07761360 1 [/CIF]
AgMo2Tc
P4mm
99
tetragonal
4mm
10,283.425815
false
[CIF] data_KCrIrPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57474170 _cell_length_b 4.57474170 _cell_length_c 4.57474170 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCrIrPt _chemical_formula_sum 'K1 Cr1 Ir1 Pt1' _cell_volume 67.69938703 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.23483088 3.23483088 3.23483088 1 Ir Ir1 1 1.61741544 1.61741544 1.61741544 1 K K2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 4.85224632 4.85224632 4.85224632 1 [/CIF]
CrIrKPt
F-43m
216
cubic
-43m
11,734.142447
false
[CIF] data_KAsH3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23832722 _cell_length_b 4.23832722 _cell_length_c 4.23832722 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KAsH3 _chemical_formula_sum 'K1 As1 H3' _cell_volume 76.13484188 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy H H0 1 0.00000000 2.11916361 0.00000000 1 H H1 1 0.00000000 0.00000000 2.11916361 1 H H2 1 2.11916361 0.00000000 0.00000000 1 As As3 1 2.11916361 2.11916361 2.11916361 1 K K4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsH3K
Pm-3m
221
cubic
m-3m
2,552.782205
false
[CIF] data_InSi2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93098944 _cell_length_b 2.93098944 _cell_length_c 8.30566578 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 106.45628484 _symmetry_Int_Tables_number 1 _chemical_formula_structural InSi2W _chemical_formula_sum 'In1 Si2 W1' _cell_volume 68.42864474 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.10808969 1 Si Si1 1 1.75457887 0.00000000 7.98954716 1 Si Si2 1 0.00000000 0.00000000 6.22487798 1 W W3 1 1.75457887 0.00000000 4.44164963 1 [/CIF]
InSi2W
Cmm2
35
orthorhombic
mm2
8,610.53757
false
[CIF] data_Na2CoCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.14205978 _cell_length_b 3.14205978 _cell_length_c 8.31322689 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2CoCu _chemical_formula_sum 'Na2 Co1 Cu1' _cell_volume 82.07266218 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.77824480 1 Cu Cu1 1 1.57102989 1.57102989 5.60332334 1 Na Na2 1 0.00000000 0.00000000 7.71993982 1 Na Na3 1 1.57102989 1.57102989 2.68155927 1 [/CIF]
CoCuNa2
P4mm
99
tetragonal
4mm
3,408.349391
false
[CIF] data_MgZnCoIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29935784 _cell_length_b 4.29935784 _cell_length_c 4.29935784 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgZnCoIr _chemical_formula_sum 'Mg1 Zn1 Co1 Ir1' _cell_volume 56.19475485 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.04010508 3.04010508 3.04010508 1 Ir Ir1 1 1.52005254 1.52005254 1.52005254 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 4.56015762 4.56015762 4.56015762 1 [/CIF]
CoIrMgZn
F-43m
216
cubic
-43m
10,071.583338
false
[CIF] data_MgIr2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40890826 _cell_length_b 3.40890826 _cell_length_c 7.44348180 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgIr2Br _chemical_formula_sum 'Mg1 Ir2 Br1' _cell_volume 86.49813791 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 1.70445413 1.70445413 5.08871132 1 Ir Ir1 1 0.00000000 0.00000000 0.88829745 1 Ir Ir2 1 1.70445413 1.70445413 1.63507236 1 Mg Mg3 1 0.00000000 0.00000000 3.55314157 1 [/CIF]
BrIr2Mg
P4mm
99
tetragonal
4mm
9,380.673512
false
[CIF] data_BeTl2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.86391161 _cell_length_b 5.86391161 _cell_length_c 5.86391161 _cell_angle_alpha 140.98765363 _cell_angle_beta 140.98765363 _cell_angle_gamma 56.35671266 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeTl2Cu _chemical_formula_sum 'Be1 Tl2 Cu1' _cell_volume 79.26662655 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 1.95800946 -0.00000000 2.58446597 1 Tl Tl2 1 0.00000000 -0.00000000 5.16893193 1 Tl Tl3 1 0.00000000 1.95800946 2.58446597 1 [/CIF]
BeCuTl2
I-4m2
119
tetragonal
-42m
10,083.166637
false
[CIF] data_YAsW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49592501 _cell_length_b 4.49592501 _cell_length_c 4.49592501 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YAsW _chemical_formula_sum 'Y1 As1 W1' _cell_volume 64.26021549 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 0.00000000 0.00000000 0.00000000 1 W W1 1 1.58954953 1.58954953 1.58954953 1 Y Y2 1 4.76864859 4.76864859 4.76864859 1 [/CIF]
AsWY
F-43m
216
cubic
-43m
8,984.025007
false
[CIF] data_SrZrGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.70748283 _cell_length_b 3.70748283 _cell_length_c 6.85867156 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrZrGe2 _chemical_formula_sum 'Sr1 Zr1 Ge2' _cell_volume 94.27538251 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.85374142 1.85374142 4.72195820 1 Ge Ge1 1 1.85374142 1.85374142 2.13671336 1 Sr Sr2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 0.00000000 0.00000000 3.42933578 1 [/CIF]
Ge2SrZr
P4/mmm
123
tetragonal
4/mmm
5,709.025517
false
[CIF] data_YScSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.80378567 _cell_length_b 7.80378567 _cell_length_c 7.80378567 _cell_angle_alpha 27.28774430 _cell_angle_beta 27.28774430 _cell_angle_gamma 27.28774430 _symmetry_Int_Tables_number 1 _chemical_formula_structural YScSi2 _chemical_formula_sum 'Y1 Sc1 Si2' _cell_volume 88.13998987 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Si Si1 1 -0.00000000 -0.00000000 16.79174658 1 Si Si2 1 -0.00000000 0.00000000 5.73443450 1 Y Y3 1 0.00000000 0.00000000 11.26309054 1 [/CIF]
ScSi2Y
R-3m
166
trigonal
-3m
3,580.177688
false
[CIF] data_PuHfCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43695211 _cell_length_b 4.43695211 _cell_length_c 4.43695211 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PuHfCo2 _chemical_formula_sum 'Pu1 Hf1 Co2' _cell_volume 61.76454225 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.56869946 1.56869946 1.56869946 1 Co Co1 1 4.70609839 4.70609839 4.70609839 1 Hf Hf2 1 -0.00000000 -0.00000000 0.00000000 1 Pu Pu3 1 3.13739893 3.13739893 3.13739893 1 [/CIF]
Co2HfPu
Fm-3m
225
cubic
m-3m
14,527.475843
false
[CIF] data_CdCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12048254 _cell_length_b 5.12048254 _cell_length_c 5.12048254 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdCl _chemical_formula_sum 'Cd2 Cl2' _cell_volume 94.93310203 _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 Cd Cd0 1 3.62072793 3.62072793 3.62072793 1 Cd Cd1 1 5.43109190 5.43109190 5.43109190 1 Cl Cl2 1 0.00000000 0.00000000 0.00000000 1 Cl Cl3 1 1.81036396 1.81036396 1.81036396 1 [/CIF]
Cd2Cl2
Fd-3m
227
cubic
m-3m
5,172.778374
false
[CIF] data_MgPb2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.40325864 _cell_length_b 9.40325864 _cell_length_c 9.40325864 _cell_angle_alpha 22.36149318 _cell_angle_beta 22.36149318 _cell_angle_gamma 22.36149318 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgPb2Au _chemical_formula_sum 'Mg1 Pb2 Au1' _cell_volume 105.54412867 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 13.74678875 1 Mg Mg1 1 -0.00000000 0.00000000 -0.00000000 1 Pb Pb2 1 0.00000000 0.00000000 6.69704589 1 Pb Pb3 1 0.00000000 0.00000000 20.79653160 1 [/CIF]
AuMgPb2
R-3m
166
trigonal
-3m
10,001.100841
false
[CIF] data_La3ZrIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.68161002 _cell_length_b 5.68161002 _cell_length_c 5.68161002 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La3ZrIn _chemical_formula_sum 'La3 Zr1 In1' _cell_volume 183.40630550 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.84080501 2.84080501 2.84080501 1 Zr Zr1 1 0.00000000 0.00000000 0.00000000 1 La La2 1 0.00000000 2.84080501 0.00000000 1 La La3 1 0.00000000 0.00000000 2.84080501 1 La La4 1 2.84080501 0.00000000 0.00000000 1 [/CIF]
InLa3Zr
Pm-3m
221
cubic
m-3m
5,638.381222
false
[CIF] data_AlGa2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87839304 _cell_length_b 4.87839304 _cell_length_c 4.87839304 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlGa2Cl _chemical_formula_sum 'Al1 Ga2 Cl1' _cell_volume 82.09474618 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cl Cl1 1 3.44954480 3.44954480 3.44954480 1 Ga Ga2 1 1.72477240 1.72477240 1.72477240 1 Ga Ga3 1 5.17431720 5.17431720 5.17431720 1 [/CIF]
AlClGa2
Fm-3m
225
cubic
m-3m
4,083.45889
false
[CIF] data_BeHgPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.65435379 _cell_length_b 3.65435379 _cell_length_c 6.12845249 _cell_angle_alpha 106.45007244 _cell_angle_beta 106.45007244 _cell_angle_gamma 58.62998884 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeHgPt2 _chemical_formula_sum 'Be1 Hg1 Pt2' _cell_volume 66.09007796 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 2.19121491 0.00000000 2.89812455 1 Pt Pt2 1 0.12644088 0.00000000 4.84009538 1 Pt Pt3 1 4.25598895 -0.00000000 0.95615371 1 [/CIF]
BeHgPt2
C2/m
12
monoclinic
2/m
15,069.460485
false
[CIF] data_BaGeCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00726284 _cell_length_b 5.00726284 _cell_length_c 4.18326844 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaGeCl2 _chemical_formula_sum 'Ba1 Ge1 Cl2' _cell_volume 104.88575584 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.50363142 2.50363142 0.00000000 1 Cl Cl1 1 2.50363142 0.00000000 2.09163422 1 Cl Cl2 1 0.00000000 2.50363142 2.09163422 1 Ge Ge3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaCl2Ge
P4/mmm
123
tetragonal
4/mmm
4,446.928066
false
[CIF] data_YNbCuPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71906876 _cell_length_b 4.71906876 _cell_length_c 4.71906876 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YNbCuPt _chemical_formula_sum 'Y1 Nb1 Cu1 Pt1' _cell_volume 74.31113897 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 1.66844276 1.66844276 1.66844276 1 Pt Pt2 1 3.33688552 3.33688552 3.33688552 1 Y Y3 1 5.00532828 5.00532828 5.00532828 1 [/CIF]
CuNbPtY
F-43m
216
cubic
-43m
9,842.017491
false
[CIF] data_P2BrCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.02865785 _cell_length_b 4.17711830 _cell_length_c 6.32876323 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural P2BrCl _chemical_formula_sum 'P2 Br1 Cl1' _cell_volume 106.50156953 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.00000000 0.00000000 3.16438161 1 Cl Cl1 1 0.00000000 0.00000000 0.00000000 1 P P2 1 2.01432893 2.08855915 2.15525000 1 P P3 1 2.01432893 2.08855915 4.17351323 1 [/CIF]
BrClP2
Pmmm
47
orthorhombic
mmm
2,764.476524
false
[CIF] data_V _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.55827507 _cell_length_b 2.55827507 _cell_length_c 2.55827507 _cell_angle_alpha 67.82514847 _cell_angle_beta 67.82514847 _cell_angle_gamma 67.82514847 _symmetry_Int_Tables_number 1 _chemical_formula_structural V _chemical_formula_sum V1 _cell_volume 13.80858508 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy V V0 1 0.00000000 -0.00000000 0.00000000 1 [/CIF]
V6
R-3m
166
trigonal
-3m
6,125.924587
false
[CIF] data_Sn2GeSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.54479636 _cell_length_b 3.54479636 _cell_length_c 7.58754194 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sn2GeSe _chemical_formula_sum 'Sn2 Ge1 Se1' _cell_volume 95.34187461 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 0.00000000 0.00000000 0.00000000 1 Se Se1 1 0.00000000 0.00000000 3.79377097 1 Sn Sn2 1 1.77239818 1.77239818 5.67524896 1 Sn Sn3 1 1.77239818 1.77239818 1.91229298 1 [/CIF]
GeSeSn2
P4/mmm
123
tetragonal
4/mmm
6,775.437449
false
[CIF] data_CaBeFeOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34385379 _cell_length_b 4.34385379 _cell_length_c 4.34385379 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaBeFeOs _chemical_formula_sum 'Ca1 Be1 Fe1 Os1' _cell_volume 57.95762736 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.60735271 4.60735271 4.60735271 1 Fe Fe2 1 1.53578423 1.53578423 1.53578423 1 Os Os3 1 3.07156847 3.07156847 3.07156847 1 [/CIF]
BeCaFeOs
F-43m
216
cubic
-43m
8,456.752599
false
[CIF] data_KYB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75361822 _cell_length_b 4.75361822 _cell_length_c 4.75361822 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KYB _chemical_formula_sum 'K1 Y1 B1' _cell_volume 75.95526791 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 K K1 1 1.68065784 1.68065784 1.68065784 1 Y Y2 1 5.04197352 5.04197352 5.04197352 1 [/CIF]
BKY
F-43m
216
cubic
-43m
3,034.785947
false
[CIF] data_KAl2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76846041 _cell_length_b 4.76846041 _cell_length_c 4.76846041 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KAl2Rh _chemical_formula_sum 'K1 Al2 Rh1' _cell_volume 76.66895526 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Al Al1 1 1.68590534 1.68590534 1.68590535 1 K K2 1 3.37181069 3.37181069 3.37181069 1 Rh Rh3 1 5.05771604 5.05771604 5.05771604 1 [/CIF]
Al2KRh
F-43m
216
cubic
-43m
4,244.36011
false
[CIF] data_CoH3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.23602846 _cell_length_b 3.23602846 _cell_length_c 3.23602846 _cell_angle_alpha 133.04954982 _cell_angle_beta 133.04954982 _cell_angle_gamma 68.57634355 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoH3 _chemical_formula_sum 'Co1 H3' _cell_volume 17.77153480 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.67365400 1 H H1 1 0.00000000 0.00000000 0.00000000 1 H H2 1 1.28908000 0.00000000 1.33682700 1 H H3 1 0.00000000 1.28908000 1.33682700 1 [/CIF]
CoH3
I4/mmm
139
tetragonal
4/mmm
5,789.147929
false
[CIF] data_Ba2BeTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25312851 _cell_length_b 4.25312851 _cell_length_c 7.96577694 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2BeTe _chemical_formula_sum 'Ba2 Be1 Te1' _cell_volume 144.09375255 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.12656425 2.12656425 6.02395384 1 Ba Ba1 1 2.12656425 2.12656425 1.94182310 1 Be Be2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 0.00000000 0.00000000 3.98288847 1 [/CIF]
Ba2BeTe
P4/mmm
123
tetragonal
4/mmm
4,739.43908
false
[CIF] data_KYTaHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32114197 _cell_length_b 5.32114197 _cell_length_c 5.32114197 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KYTaHg _chemical_formula_sum 'K1 Y1 Ta1 Hg1' _cell_volume 106.53677367 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.88130779 1.88130779 1.88130778 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 3.76261557 3.76261557 3.76261557 1 Y Y3 1 5.64392336 5.64392336 5.64392336 1 [/CIF]
HgKTaY
F-43m
216
cubic
-43m
7,941.994278
false
[CIF] data_Mg6VSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20416095 _cell_length_b 6.28575834 _cell_length_c 6.28575834 _cell_angle_alpha 57.93903537 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6VSb _chemical_formula_sum 'Mg6 V1 Sb1' _cell_volume 174.25990281 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.60208047 -1.51731954 4.58260427 1 Mg Mg1 1 2.60208047 1.51731954 4.58260427 1 Mg Mg2 1 0.00000000 -1.57329625 6.41204656 1 Mg Mg3 1 0.00000000 1.57329625 6.41204656 1 Mg Mg4 1 0.00000000 0.00000000 3.63273171 1 Mg Mg5 1 0.00000000 -0.00000000 9.19315307 1 V V6 1 2.60208047 -0.00000000 1.83339720 1 Sb Sb7 1 2.60208047 0.00000000 7.34552118 1 [/CIF]
Mg6SbV
Amm2
38
orthorhombic
mm2
3,035.316738
false
[CIF] data_Mn2CdHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.86092713 _cell_length_b 2.86092713 _cell_length_c 7.81307108 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2CdHg _chemical_formula_sum 'Mn2 Cd1 Hg1' _cell_volume 63.94923707 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.57274692 1 Hg Hg1 1 1.43046356 1.43046356 6.17257609 1 Mn Mn2 1 0.00000000 0.00000000 0.41586962 1 Mn Mn3 1 1.43046356 1.43046356 1.55841399 1 [/CIF]
CdHgMn2
P4mm
99
tetragonal
4mm
10,980.645907
false
[CIF] data_TaIr2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46026297 _cell_length_b 4.46026297 _cell_length_c 4.46026297 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaIr2Pd _chemical_formula_sum 'Ta1 Ir2 Pd1' _cell_volume 62.74316115 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.57694109 1.57694109 1.57694110 1 Ir Ir1 1 4.73082329 4.73082329 4.73082329 1 Pd Pd2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 3.15388219 3.15388219 3.15388219 1 [/CIF]
Ir2PdTa
Fm-3m
225
cubic
m-3m
17,779.679033
false
[CIF] data_Hf2GaW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56326310 _cell_length_b 4.56326310 _cell_length_c 3.53612435 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2GaW _chemical_formula_sum 'Hf2 Ga1 W1' _cell_volume 73.63402613 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 0.00000000 0.00000000 0.00000000 1 Hf Hf1 1 0.00000000 2.28163155 1.76806218 1 Hf Hf2 1 2.28163155 0.00000000 1.76806218 1 W W3 1 2.28163155 2.28163155 0.00000000 1 [/CIF]
GaHf2W
P4/mmm
123
tetragonal
4/mmm
13,768.50563
false
[CIF] data_Ni2PdSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03995801 _cell_length_b 5.03995801 _cell_length_c 5.03995801 _cell_angle_alpha 126.12252997 _cell_angle_beta 126.12252997 _cell_angle_gamma 79.68684767 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni2PdSe2 _chemical_formula_sum 'Ni2 Pd1 Se2' _cell_volume 80.69676768 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.05229325 1 Ni Ni1 1 0.00000000 -0.00000000 2.68704783 1 Pd Pd2 1 0.00000000 0.00000000 0.00000000 1 Se Se3 1 -0.00000000 2.28329002 1.93483527 1 Se Se4 1 2.28329002 -0.00000000 1.93483527 1 [/CIF]
Ni2PdSe2
I4/mmm
139
tetragonal
4/mmm
7,854.989517
false
[CIF] data_NaCaMnMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66401884 _cell_length_b 4.66401884 _cell_length_c 4.66401884 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCaMnMo _chemical_formula_sum 'Na1 Ca1 Mn1 Mo1' _cell_volume 71.74074636 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.94693903 4.94693903 4.94693903 1 Mn Mn1 1 3.29795935 3.29795935 3.29795935 1 Mo Mo2 1 1.64897968 1.64897968 1.64897968 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CaMnMoNa
F-43m
216
cubic
-43m
4,952.535505
false
[CIF] data_Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.10963324 _cell_length_b 4.10963324 _cell_length_c 4.10963324 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pd _chemical_formula_sum Pd2 _cell_volume 49.07882961 _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 Pd Pd0 1 1.45297477 1.45297477 1.45297477 1 Pd Pd1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Pd2
Fd-3m
227
cubic
m-3m
7,201.254344
false
[CIF] data_La2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.78618323 _cell_length_b 5.78618323 _cell_length_c 5.78136853 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.73056947 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2Ge _chemical_formula_sum 'La4 Ge2' _cell_volume 168.08089472 _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 2.90486555 2.51971273 1.44534213 1 Ge Ge1 1 2.90486555 -2.51971273 4.33602640 1 La La2 1 2.90486555 -1.09939124 1.44534213 1 La La3 1 2.90486555 -4.09086097 1.44534213 1 La La4 1 2.90486555 4.09086097 4.33602640 1 La La5 1 2.90486555 1.09939124 4.33602640 1 [/CIF]
Ge2La4
Cmcm
63
orthorhombic
mmm
6,924.49285
false
[CIF] data_Si2NiGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33881004 _cell_length_b 4.33881004 _cell_length_c 4.33881004 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si2NiGe _chemical_formula_sum 'Si2 Ni1 Ge1' _cell_volume 57.75597382 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.06800200 3.06800200 3.06800200 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Si Si2 1 1.53400100 1.53400100 1.53400100 1 Si Si3 1 4.60200300 4.60200300 4.60200300 1 [/CIF]
GeNiSi2
Fm-3m
225
cubic
m-3m
5,390.929471
false
[CIF] data_BaSbW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.52924330 _cell_length_b 3.52924330 _cell_length_c 7.57649604 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSbW _chemical_formula_sum 'Ba1 Sb1 W1' _cell_volume 81.72637372 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000002 2.03760958 7.42824038 1 Sb Sb1 1 0.00000000 0.00000000 2.94597729 1 W W2 1 1.76462163 1.01880479 4.77877441 1 [/CIF]
BaSbW
P3m1
156
trigonal
3m
8,999.513293
false