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_KTaP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.44844028 _cell_length_b 3.44844028 _cell_length_c 7.79034972 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTaP _chemical_formula_sum 'K1 Ta1 P1' _cell_volume 80.22930044 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 -0.00000002 1.99095794 0.35703282 1 P P1 1 0.00000000 0.00000000 2.93656446 1 Ta Ta2 1 1.72422012 0.99547897 4.49675244 1 [/CIF]
KPTa
P3m1
156
trigonal
3m
5,195.463729
false
[CIF] data_Ba(CuO)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.52359177 _cell_length_b 6.52359177 _cell_length_c 6.52359177 _cell_angle_alpha 127.23679486 _cell_angle_beta 127.23679486 _cell_angle_gamma 77.86469454 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba(CuO)2 _chemical_formula_sum 'Ba2 Cu4 O4' _cell_volume 170.56237837 _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 Ba Ba0 1 0.00000000 0.00000000 0.00000000 1 Ba Ba1 1 0.00000000 2.89874200 2.53731350 1 Cu Cu2 1 1.44937100 -0.00000000 3.80597025 1 Cu Cu3 1 0.00000000 1.44937100 6.34328375 1 Cu Cu4 1 1.44937100 2.89874200 -1.26865675 1 Cu Cu5 1 2.89874200 1.44937100 1.26865675 1 O O6 1 0.00000000 0.00000000 7.48935781 1 O O7 1 2.89874200 -0.00000000 4.95204431 1 O O8 1 2.89874200 0.00000000 0.12258269 1 O O9 1 -0.00000000 0.00000000 2.65989619 1 [/CIF]
Ba2Cu4O4
I4_1/amd
141
tetragonal
4/mmm
5,771.651892
false
[CIF] data_InTcHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23852632 _cell_length_b 4.23852632 _cell_length_c 4.35294057 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InTcHg2 _chemical_formula_sum 'In1 Tc1 Hg2' _cell_volume 78.20103599 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 0.00000000 2.11926316 2.17647029 1 Hg Hg1 1 2.11926316 0.00000000 2.17647029 1 In In2 1 2.11926316 2.11926316 0.00000000 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hg2InTc
P4/mmm
123
tetragonal
4/mmm
13,057.019429
false
[CIF] data_EuDyFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81126202 _cell_length_b 4.81126202 _cell_length_c 4.81126202 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural EuDyFe2 _chemical_formula_sum 'Eu1 Dy1 Fe2' _cell_volume 78.75207930 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Dy Dy0 1 3.40207600 3.40207600 3.40207600 1 Eu Eu1 1 0.00000000 0.00000000 0.00000000 1 Fe Fe2 1 1.70103800 1.70103800 1.70103800 1 Fe Fe3 1 5.10311400 5.10311400 5.10311400 1 [/CIF]
DyEuFe2
Fm-3m
225
cubic
m-3m
8,985.735636
false
[CIF] data_Cr2CoRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.58376962 _cell_length_b 2.58376962 _cell_length_c 7.15822974 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2CoRu _chemical_formula_sum 'Cr2 Co1 Ru1' _cell_volume 47.78737860 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cr Cr1 1 1.29188481 1.29188481 1.69983697 1 Cr Cr2 1 1.29188481 1.29188481 5.45839277 1 Ru Ru3 1 0.00000000 0.00000000 3.57911487 1 [/CIF]
CoCr2Ru
P4/mmm
123
tetragonal
4/mmm
9,173.440345
false
[CIF] data_ScTc2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64841816 _cell_length_b 4.64841816 _cell_length_c 4.64841816 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTc2Bi _chemical_formula_sum 'Sc1 Tc2 Bi1' _cell_volume 71.02325442 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.28692800 3.28692800 3.28692800 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 1.64346400 1.64346400 1.64346400 1 Tc Tc3 1 4.93039200 4.93039200 4.93039200 1 [/CIF]
BiScTc2
Fm-3m
225
cubic
m-3m
10,561.982701
false
[CIF] data_Yb3Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82812300 _cell_length_b 4.82812300 _cell_length_c 4.82812300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Yb3Fe _chemical_formula_sum 'Yb3 Fe1' _cell_volume 112.54727301 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Yb Yb1 1 2.41406150 2.41406150 0.00000000 1 Yb Yb2 1 2.41406150 0.00000000 2.41406150 1 Yb Yb3 1 0.00000000 2.41406150 2.41406150 1 [/CIF]
FeYb3
Pm-3m
221
cubic
m-3m
8,483.738091
false
[CIF] data_H3PbCI3NF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.46717700 _cell_length_b 6.47663100 _cell_length_c 6.55914418 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.15479119 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural H3PbCI3NF3 _chemical_formula_sum 'H3 Pb1 C1 I3 N1 F3' _cell_volume 274.67735939 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.28517316 0.00000000 1.21840868 1 H H1 1 4.93058585 5.60942954 6.33845975 1 H H2 1 4.93058585 0.86720146 6.33845975 1 Pb Pb3 1 3.33527658 3.23831550 3.11695427 1 C C4 1 0.37276854 0.00000000 6.47689516 1 I I5 1 0.25236711 3.23831550 3.30494707 1 I I6 1 3.80514820 3.23831550 6.36701902 1 I I7 1 3.76531256 0.00000000 3.22598446 1 N N8 1 5.51025289 0.00000000 0.18264162 1 F F9 1 1.04583804 5.37381618 0.44891502 1 F F10 1 0.58050347 0.00000000 5.15558129 1 F F11 1 1.04583804 1.10281482 0.44891502 1 [/CIF]
CH3F3I3NPb
Pm
6
monoclinic
m
4,074.307544
false
[CIF] data_YAs2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.24779939 _cell_length_b 3.24779939 _cell_length_c 6.99646554 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YAs2W _chemical_formula_sum 'Y1 As2 W1' _cell_volume 73.80012395 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 1.62389969 1.62389969 2.02181014 1 As As1 1 1.62389969 1.62389969 4.97465540 1 W W2 1 0.00000000 0.00000000 3.49823277 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As2WY
P4/mmm
123
tetragonal
4/mmm
9,508.461356
false
[CIF] data_FeAg4Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30909916 _cell_length_b 5.30909916 _cell_length_c 5.30909916 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeAg4Ru _chemical_formula_sum 'Fe1 Ag4 Ru1' _cell_volume 105.81506755 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.69291266 2.81528738 4.69291266 1 Ag Ag1 1 2.81528738 4.69291266 4.69291266 1 Ag Ag2 1 2.81528738 2.81528738 2.81528738 1 Ag Ag3 1 4.69291266 4.69291266 2.81528738 1 Fe Fe4 1 0.00000000 0.00000000 0.00000000 1 Ru Ru5 1 5.63115003 5.63115003 5.63115003 1 [/CIF]
Ag4FeRu
F-43m
216
cubic
-43m
9,233.476392
false
[CIF] data_Fe2SbAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45936533 _cell_length_b 4.45936533 _cell_length_c 4.45936533 _cell_angle_alpha 128.82397363 _cell_angle_beta 118.90984015 _cell_angle_gamma 83.66378303 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2SbAs _chemical_formula_sum 'Fe2 Sb1 As1' _cell_volume 58.01299154 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Fe Fe1 1 -0.00000000 2.26632139 1.89949250 1 Fe Fe2 1 1.92598681 -0.00000000 1.42320239 1 Sb Sb3 1 -0.00000000 -0.00000000 3.32269489 1 [/CIF]
AsFe2Sb
Immm
71
orthorhombic
mmm
8,826.696835
false
[CIF] data_Y2TcB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76320641 _cell_length_b 4.76320641 _cell_length_c 4.76320641 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2TcB _chemical_formula_sum 'Y2 Tc1 B1' _cell_volume 76.41580762 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Tc Tc1 1 3.36809555 3.36809555 3.36809555 1 Y Y2 1 1.68404778 1.68404778 1.68404778 1 Y Y3 1 5.05214333 5.05214333 5.05214333 1 [/CIF]
BTcY2
Fm-3m
225
cubic
m-3m
6,248.091722
false
[CIF] data_LaBi2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63512438 _cell_length_b 4.63512438 _cell_length_c 5.27413907 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaBi2As _chemical_formula_sum 'La1 Bi2 As1' _cell_volume 113.31159750 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Bi Bi1 1 0.00000000 2.31756219 2.63706954 1 Bi Bi2 1 2.31756219 0.00000000 2.63706954 1 La La3 1 2.31756219 2.31756219 0.00000000 1 [/CIF]
AsBi2La
P4/mmm
123
tetragonal
4/mmm
9,258.614856
false
[CIF] data_Fe2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.10513501 _cell_length_b 4.10513501 _cell_length_c 5.04315971 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2Mo _chemical_formula_sum 'Fe4 Mo2' _cell_volume 73.60176729 _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 0.00000000 0.00000000 2.52157986 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Fe Fe2 1 -0.00000000 2.37010080 1.26078993 1 Fe Fe3 1 2.05256750 1.18505040 3.78236978 1 Mo Mo4 1 -0.00000000 2.37010080 3.78236978 1 Mo Mo5 1 2.05256750 1.18505040 1.26078993 1 [/CIF]
Fe4Mo2
P6_3/mmc
194
hexagonal
6/mmm
9,369.637329
false
[CIF] data_ZnGaSnPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70921291 _cell_length_b 4.70921291 _cell_length_c 4.70921291 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnGaSnPt _chemical_formula_sum 'Zn1 Ga1 Sn1 Pt1' _cell_volume 73.84651062 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.99487457 4.99487457 4.99487457 1 Pt Pt1 1 3.32991638 3.32991638 3.32991638 1 Sn Sn2 1 1.66495819 1.66495819 1.66495819 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GaPtSnZn
F-43m
216
cubic
-43m
10,094.058597
false
[CIF] data_SrZrCuW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83002059 _cell_length_b 4.83002059 _cell_length_c 4.83002059 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrZrCuW _chemical_formula_sum 'Sr1 Zr1 Cu1 W1' _cell_volume 79.67681175 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sr Sr1 1 3.41534031 3.41534031 3.41534031 1 W W2 1 1.70767015 1.70767016 1.70767016 1 Zr Zr3 1 5.12301047 5.12301047 5.12301047 1 [/CIF]
CuSrWZr
F-43m
216
cubic
-43m
8,883.030718
false
[CIF] data_MnSn2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.71683555 _cell_length_b 9.71683555 _cell_length_c 9.71683555 _cell_angle_alpha 19.83819960 _cell_angle_beta 19.83819960 _cell_angle_gamma 19.83819960 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnSn2Bi _chemical_formula_sum 'Mn1 Sn2 Bi1' _cell_volume 92.41781358 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 -0.00000000 -0.00000000 14.28401953 1 Mn Mn1 1 -0.00000000 -0.00000000 -0.00000000 1 Sn Sn2 1 -0.00000000 0.00000000 7.69869943 1 Sn Sn3 1 0.00000000 -0.00000000 20.86933963 1 [/CIF]
BiMnSn2
R-3m
166
trigonal
-3m
9,007.917849
false
[CIF] data_CdAgAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.39792217 _cell_length_b 3.39792217 _cell_length_c 7.17077532 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdAgAs2 _chemical_formula_sum 'Cd1 Ag1 As2' _cell_volume 82.79287602 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 5.41457184 1 As As1 1 1.69896109 1.69896109 0.20238101 1 As As2 1 0.00000000 0.00000000 1.43038460 1 Cd Cd3 1 1.69896109 1.69896109 3.70882553 1 [/CIF]
AgAs2Cd
P4mm
99
tetragonal
4mm
7,423.376674
false
[CIF] data_CaAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30230984 _cell_length_b 4.30230984 _cell_length_c 4.30230984 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaAu _chemical_formula_sum 'Ca1 Au1' _cell_volume 56.31058673 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.04219246 3.04219246 3.04219246 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuCa
Fm-3m
225
cubic
m-3m
6,990.191192
false
[CIF] data_Al2(CuNi)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.49137609 _cell_length_b 6.49137609 _cell_length_c 2.69777291 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2(CuNi)3 _chemical_formula_sum 'Al2 Cu3 Ni3' _cell_volume 98.44860438 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.74779773 0.00000000 1 Al Al1 1 3.24568804 1.87389887 0.00000000 1 Cu Cu2 1 2.40053068 0.00000000 1.34888645 1 Cu Cu3 1 -1.20026534 2.07892055 1.34888645 1 Cu Cu4 1 2.04542271 3.54277605 1.34888645 1 Ni Ni5 1 4.92885763 0.00000000 0.00000000 1 Ni Ni6 1 -2.46442881 4.26851592 0.00000000 1 Ni Ni7 1 0.78125923 1.35318068 0.00000000 1 [/CIF]
Al2Cu3Ni3
P-62m
189
hexagonal
-6m2
7,096.034591
false
[CIF] data_Zn2FeSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.33917730 _cell_length_b 3.33917730 _cell_length_c 5.44212153 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2FeSe _chemical_formula_sum 'Zn2 Fe1 Se1' _cell_volume 60.68022670 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.76599936 1 Se Se1 1 1.66958865 1.66958865 3.90192016 1 Zn Zn2 1 0.00000000 0.00000000 0.13044401 1 Zn Zn3 1 1.66958865 1.66958865 1.36481877 1 [/CIF]
FeSeZn2
P4mm
99
tetragonal
4mm
7,267.294161
false
[CIF] data_MgSbAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.36085649 _cell_length_b 6.36085649 _cell_length_c 6.36085649 _cell_angle_alpha 145.01441448 _cell_angle_beta 142.14538135 _cell_angle_gamma 52.49239674 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgSbAs2 _chemical_formula_sum 'Mg1 Sb1 As2' _cell_volume 90.02409246 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.05583582 1 As As1 1 0.00000000 2.06326034 3.48639996 1 Mg Mg2 1 -0.00000000 -0.00000000 5.51944361 1 Sb Sb3 1 1.91198332 0.00000000 2.34845151 1 [/CIF]
As2MgSb
Imm2
44
orthorhombic
mm2
5,458.173616
false
[CIF] data_ScAl2Zn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.11110394 _cell_length_b 4.11110394 _cell_length_c 4.01384717 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScAl2Zn _chemical_formula_sum 'Sc1 Al2 Zn1' _cell_volume 67.83873578 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 2.05555197 0.00000000 2.00692359 1 Al Al1 1 0.00000000 2.05555197 2.00692359 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 2.05555197 2.05555197 0.00000000 1 [/CIF]
Al2ScZn
P4/mmm
123
tetragonal
4/mmm
4,021.706118
false
[CIF] data_NbSiRu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33120477 _cell_length_b 4.33120477 _cell_length_c 4.33120477 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbSiRu3 _chemical_formula_sum 'Nb1 Si1 Ru3' _cell_volume 81.25052019 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.16560239 0.00000000 1 Ru Ru1 1 0.00000000 0.00000000 2.16560239 1 Ru Ru2 1 2.16560239 0.00000000 0.00000000 1 Nb Nb3 1 2.16560239 2.16560239 2.16560239 1 Si Si4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
NbRu3Si
Pm-3m
221
cubic
m-3m
8,669.52965
false
[CIF] data_ScNiRuAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46138509 _cell_length_b 4.46138509 _cell_length_c 4.46138509 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScNiRuAu _chemical_formula_sum 'Sc1 Ni1 Ru1 Au1' _cell_volume 62.79052821 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.15467565 3.15467565 3.15467565 1 Ni Ni1 1 1.57733783 1.57733783 1.57733783 1 Ru Ru2 1 4.73201348 4.73201348 4.73201348 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuNiRuSc
F-43m
216
cubic
-43m
10,622.86171
false
[CIF] data_CuSnBiAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99990231 _cell_length_b 4.99990231 _cell_length_c 4.99990231 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuSnBiAu _chemical_formula_sum 'Cu1 Sn1 Bi1 Au1' _cell_volume 88.38316705 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.53546483 3.53546483 3.53546483 1 Bi Bi1 1 5.30319724 5.30319725 5.30319725 1 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 1.76773242 1.76773241 1.76773242 1 [/CIF]
AuBiCuSn
F-43m
216
cubic
-43m
11,051.131586
false
[CIF] data_SiGePt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43878647 _cell_length_b 4.43878647 _cell_length_c 4.43878647 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiGePt2 _chemical_formula_sum 'Si1 Ge1 Pt2' _cell_volume 61.84117911 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.13869601 3.13869601 3.13869601 1 Pt Pt1 1 1.56934800 1.56934800 1.56934800 1 Pt Pt2 1 4.70804401 4.70804401 4.70804402 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GePt2Si
Fm-3m
225
cubic
m-3m
13,181.31132
false
[CIF] data_V2FeSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.11405473 _cell_length_b 4.11405473 _cell_length_c 4.11405473 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2FeSi _chemical_formula_sum 'V2 Fe1 Si1' _cell_volume 49.23740976 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 2.90907600 2.90907600 2.90907600 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 1.45453800 1.45453800 1.45453800 1 V V3 1 4.36361400 4.36361400 4.36361400 1 [/CIF]
FeSiV2
Fm-3m
225
cubic
m-3m
6,266.588299
false
[CIF] data_LiTiMoOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32722852 _cell_length_b 4.32722852 _cell_length_c 4.32722852 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTiMoOs _chemical_formula_sum 'Li1 Ti1 Mo1 Os1' _cell_volume 57.29470590 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 4.58971895 4.58971895 4.58971894 1 Os Os2 1 1.52990632 1.52990632 1.52990632 1 Ti Ti3 1 3.05981263 3.05981263 3.05981263 1 [/CIF]
LiMoOsTi
F-43m
216
cubic
-43m
9,882.946282
false
[CIF] data_Ta2BiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02635536 _cell_length_b 5.02635536 _cell_length_c 3.12685792 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 108.12987791 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2BiIr _chemical_formula_sum 'Ta2 Bi1 Ir1' _cell_volume 75.07576218 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.94980680 -0.00000000 0.00000000 1 Ir Ir1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 1.47490340 2.03487642 1.56342896 1 Ta Ta3 1 1.47490340 -2.03487641 1.56342896 1 [/CIF]
BiIrTa2
Cmmm
65
orthorhombic
mmm
16,878.230295
false
[CIF] data_CdGa2Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.35255746 _cell_length_b 3.35255746 _cell_length_c 5.94714197 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdGa2Tc _chemical_formula_sum 'Cd1 Ga2 Tc1' _cell_volume 66.84374383 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 0.00000000 2.97357098 1 Ga Ga1 1 1.67627873 1.67627873 4.67201948 1 Ga Ga2 1 1.67627873 1.67627873 1.27512249 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdGa2Tc
P4/mmm
123
tetragonal
4/mmm
8,713.695005
false
[CIF] data_TiPbAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87278480 _cell_length_b 4.87278480 _cell_length_c 5.48678806 _cell_angle_alpha 100.30682615 _cell_angle_beta 100.30682615 _cell_angle_gamma 40.75813518 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiPbAu2 _chemical_formula_sum 'Ti1 Pb1 Au2' _cell_volume 83.49092171 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.01660181 -0.00000000 0.12073250 1 Au Au1 1 1.54353142 0.00000000 4.23979228 1 Pb Pb2 1 4.04314341 -0.00000000 2.68816291 1 Ti Ti3 1 6.52924351 0.00000000 1.03019178 1 [/CIF]
Au2PbTi
Cm
8
monoclinic
m
12,907.871435
false
[CIF] data_HfAgPtW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63715877 _cell_length_b 4.63715877 _cell_length_c 4.63715877 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfAgPtW _chemical_formula_sum 'Hf1 Ag1 Pt1 W1' _cell_volume 70.50840637 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 0.00000000 1 Hf Hf1 1 4.91844962 4.91844962 4.91844962 1 Pt Pt2 1 3.27896641 3.27896641 3.27896641 1 W W3 1 1.63948321 1.63948321 1.63948321 1 [/CIF]
AgHfPtW
F-43m
216
cubic
-43m
15,668.019464
false
[CIF] data_MgCoOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41076424 _cell_length_b 4.41076424 _cell_length_c 2.79546165 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCoOs2 _chemical_formula_sum 'Mg1 Co1 Os2' _cell_volume 54.38526243 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.20538212 2.20538212 0.00000000 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 0.00000000 2.20538212 1.39773083 1 Os Os3 1 2.20538212 0.00000000 1.39773083 1 [/CIF]
CoMgOs2
P4/mmm
123
tetragonal
4/mmm
14,158.044542
false
[CIF] data_LiFeBiPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15042713 _cell_length_b 5.15042713 _cell_length_c 5.15042713 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiFeBiPb _chemical_formula_sum 'Li1 Fe1 Bi1 Pb1' _cell_volume 96.60836748 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.82095098 1.82095098 1.82095098 1 Fe Fe1 1 5.46285293 5.46285293 5.46285293 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Pb Pb3 1 3.64190195 3.64190195 3.64190195 1 [/CIF]
BiFeLiPb
F-43m
216
cubic
-43m
8,232.645262
false
[CIF] data_LiCr2Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17321945 _cell_length_b 4.17321945 _cell_length_c 2.98168671 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCr2Re _chemical_formula_sum 'Li1 Cr2 Re1' _cell_volume 51.92834186 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 2.08660973 0.00000000 1.49084336 1 Cr Cr1 1 0.00000000 2.08660973 1.49084336 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Re Re3 1 2.08660973 2.08660973 0.00000000 1 [/CIF]
Cr2LiRe
P4/mmm
123
tetragonal
4/mmm
9,501.803691
false
[CIF] data_CaOsW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55699155 _cell_length_b 4.55699155 _cell_length_c 4.55699155 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaOsW2 _chemical_formula_sum 'Ca1 Os1 W2' _cell_volume 66.91441274 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 3.22227962 3.22227962 3.22227962 1 W W2 1 1.61113981 1.61113981 1.61113981 1 W W3 1 4.83341944 4.83341944 4.83341944 1 [/CIF]
CaOsW2
Fm-3m
225
cubic
m-3m
14,839.589778
false
[CIF] data_Mn(GaO2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.99906997 _cell_length_b 5.99906997 _cell_length_c 5.99906997 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn(GaO2)2 _chemical_formula_sum 'Mn2 Ga4 O8' _cell_volume 152.66405202 _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 Ga Ga0 1 3.18148730 3.18148730 5.30247883 1 Ga Ga1 1 5.30247883 5.30247883 5.30247883 1 Ga Ga2 1 5.30247883 3.18148730 3.18148730 1 Ga Ga3 1 3.18148730 5.30247883 3.18148730 1 Mn Mn4 1 2.12099153 2.12099153 2.12099153 1 Mn Mn5 1 0.00000000 0.00000000 0.00000000 1 O O6 1 3.29766302 5.18630310 5.18630310 1 O O7 1 5.18630310 3.29766302 5.18630310 1 O O8 1 3.29766302 3.29766302 3.29766302 1 O O9 1 5.41865455 5.41865455 7.30729463 1 O O10 1 5.18630310 5.18630310 3.29766302 1 O O11 1 7.30729463 7.30729463 7.30729463 1 O O12 1 5.41865455 7.30729463 5.41865455 1 O O13 1 7.30729463 5.41865455 5.41865455 1 [/CIF]
Ga4Mn2O8
Fd-3m
227
cubic
m-3m
5,620.87551
false
[CIF] data_BaYMg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.52960261 _cell_length_b 7.52960261 _cell_length_c 7.52960261 _cell_angle_alpha 149.26693552 _cell_angle_beta 149.26693552 _cell_angle_gamma 44.01853817 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaYMg _chemical_formula_sum 'Ba1 Y1 Mg1' _cell_volume 111.16861025 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 13.80380618 1 Mg Mg1 1 -0.00000000 0.00000000 4.38916352 1 Y Y2 1 0.00000000 0.00000000 9.73050872 1 [/CIF]
BaMgY
I4mm
107
tetragonal
4mm
3,742.31437
false
[CIF] data_Na3Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43082584 _cell_length_b 5.43082584 _cell_length_c 5.43082584 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na3Bi _chemical_formula_sum 'Na3 Bi1' _cell_volume 113.26158364 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.84017378 3.84017378 3.84017378 1 Na Na1 1 5.76026067 5.76026067 5.76026067 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Na Na3 1 1.92008689 1.92008689 1.92008689 1 [/CIF]
BiNa3
Fm-3m
225
cubic
m-3m
4,075.047634
false
[CIF] data_LiCoBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.31728435 _cell_length_b 3.31728435 _cell_length_c 6.28265139 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCoBi _chemical_formula_sum 'Li1 Co1 Bi1' _cell_volume 59.87409950 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.65864219 0.95761750 0.25886471 1 Co Co1 1 0.00000002 1.91523500 2.07096998 1 Li Li2 1 0.00000000 0.00000000 3.95281670 1 [/CIF]
BiCoLi
P3m1
156
trigonal
3m
7,622.775054
false
[CIF] data_CoCu2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.48963331 _cell_length_b 3.48963331 _cell_length_c 3.73532548 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoCu2Si _chemical_formula_sum 'Co1 Cu2 Si1' _cell_volume 45.48707783 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.74481665 1.74481665 0.00000000 1 Cu Cu1 1 1.74481665 0.00000000 1.86766274 1 Cu Cu2 1 0.00000000 1.74481665 1.86766274 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CoCu2Si
P4/mmm
123
tetragonal
4/mmm
7,816.267621
false
[CIF] data_YTaFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.67209226 _cell_length_b 5.58417467 _cell_length_c 5.58417467 _cell_angle_alpha 37.27721405 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTaFe2 _chemical_formula_sum 'Y1 Ta1 Fe2' _cell_volume 69.35360974 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.83604613 -0.00000000 2.18408886 1 Fe Fe1 1 0.00000000 0.00000000 3.42722050 1 Ta Ta2 1 1.83604613 -0.00000000 9.30518946 1 Y Y3 1 0.00000000 0.00000000 6.28584625 1 [/CIF]
Fe2TaY
Amm2
38
orthorhombic
mm2
9,135.421992
false
[CIF] data_Si3PPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.96866722 _cell_length_b 5.96866722 _cell_length_c 5.96866722 _cell_angle_alpha 140.79041159 _cell_angle_beta 140.79041159 _cell_angle_gamma 56.65511480 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si3PPt _chemical_formula_sum 'Si3 P1 Pt1' _cell_volume 84.28717129 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P P0 1 0.00000000 -0.00000000 0.66553009 1 Pt Pt1 1 0.00000000 0.00000000 6.47022310 1 Si Si2 1 -0.00000000 0.00000000 4.09077766 1 Si Si3 1 2.00266927 -0.00000000 2.64273613 1 Si Si4 1 -0.00000000 2.00266927 2.64273613 1 [/CIF]
PPtSi3
I4mm
107
tetragonal
4mm
6,113.49209
false
[CIF] data_TaTlAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84051132 _cell_length_b 4.84051132 _cell_length_c 3.40065308 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTlAu2 _chemical_formula_sum 'Ta1 Tl1 Au2' _cell_volume 79.67917148 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 2.42025566 0.00000000 1.70032654 1 Au Au1 1 0.00000000 2.42025566 1.70032654 1 Ta Ta2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 2.42025566 2.42025566 0.00000000 1 [/CIF]
Au2TaTl
P4/mmm
123
tetragonal
4/mmm
16,240.114189
false
[CIF] data_ScBiCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05996704 _cell_length_b 5.05996704 _cell_length_c 5.05996704 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScBiCl2 _chemical_formula_sum 'Sc1 Bi1 Cl2' _cell_volume 91.60687477 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.57793701 3.57793701 3.57793701 1 Cl Cl1 1 5.36690552 5.36690552 5.36690552 1 Cl Cl2 1 1.78896850 1.78896850 1.78896850 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiCl2Sc
Fm-3m
225
cubic
m-3m
5,888.350093
false
[CIF] data_ScNi4Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91554221 _cell_length_b 4.91554221 _cell_length_c 4.91554221 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScNi4Te _chemical_formula_sum 'Sc1 Ni4 Te1' _cell_volume 83.98452910 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.60235246 2.60235246 4.34927400 1 Ni Ni1 1 2.60235246 4.34927400 2.60235246 1 Ni Ni2 1 4.34927400 2.60235246 2.60235246 1 Ni Ni3 1 4.34927400 4.34927400 4.34927400 1 Sc Sc4 1 0.00000000 0.00000000 0.00000000 1 Te Te5 1 1.73790662 1.73790662 1.73790661 1 [/CIF]
Ni4ScTe
F-43m
216
cubic
-43m
8,053.704353
false
[CIF] data_BeNb2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38969989 _cell_length_b 4.38969989 _cell_length_c 4.38969989 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeNb2Os _chemical_formula_sum 'Be1 Nb2 Os1' _cell_volume 59.81216078 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 3.10398656 3.10398656 3.10398656 1 Nb Nb2 1 1.55199328 1.55199328 1.55199328 1 Os Os3 1 4.65597984 4.65597984 4.65597984 1 [/CIF]
BeNb2Os
F-43m
216
cubic
-43m
10,690.113275
false
[CIF] data_Zr2AsAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.52387726 _cell_length_b 3.52387726 _cell_length_c 6.33695167 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2AsAu _chemical_formula_sum 'Zr2 As1 Au1' _cell_volume 78.69043410 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Au Au1 1 0.00000000 0.00000000 3.16847584 1 Zr Zr2 1 1.76193863 1.76193863 4.82340828 1 Zr Zr3 1 1.76193863 1.76193863 1.51354339 1 [/CIF]
AsAuZr2
P4/mmm
123
tetragonal
4/mmm
9,587.514475
false
[CIF] data_CaMgZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.84366867 _cell_length_b 8.84366867 _cell_length_c 3.37821051 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMgZn _chemical_formula_sum 'Ca3 Mg3 Zn3' _cell_volume 228.81382794 _cell_formula_units_Z 3 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 Ca Ca1 1 4.42183433 2.55294724 1.68910526 1 Ca Ca2 1 0.00000000 5.10589449 1.68910526 1 Mg Mg3 1 -1.58738093 2.74942442 0.00000000 1 Mg Mg4 1 2.83445340 4.90941730 0.00000000 1 Mg Mg5 1 3.17476186 0.00000000 0.00000000 1 Zn Zn6 1 -3.06050399 5.30094840 1.68910526 1 Zn Zn7 1 1.36133035 2.35789333 1.68910526 1 Zn Zn8 1 6.12100797 0.00000000 1.68910526 1 [/CIF]
Ca3Mg3Zn3
P-62m
189
hexagonal
-6m2
2,827.58414
false
[CIF] data_SrReBiAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10833393 _cell_length_b 5.10833393 _cell_length_c 5.10833393 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrReBiAu _chemical_formula_sum 'Sr1 Re1 Bi1 Au1' _cell_volume 94.25900236 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 5.41820634 5.41820634 5.41820634 1 Bi Bi1 1 3.61213756 3.61213756 3.61213756 1 Re Re2 1 1.80606878 1.80606878 1.80606878 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuBiReSr
F-43m
216
cubic
-43m
11,975.420954
false
[CIF] data_CaSe7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.23711087 _cell_length_b 6.23711087 _cell_length_c 6.23711087 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaSe7 _chemical_formula_sum 'Ca1 Se7' _cell_volume 171.56764659 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Se Se1 1 2.20515170 4.41030339 2.20515170 1 Se Se2 1 4.41030339 2.20515170 2.20515170 1 Se Se3 1 2.20515169 2.20515169 0.00000000 1 Se Se4 1 2.20515170 0.00000000 2.20515170 1 Se Se5 1 0.00000000 2.20515170 2.20515170 1 Se Se6 1 2.20515170 2.20515170 4.41030339 1 Se Se7 1 4.41030339 4.41030339 4.41030339 1 [/CIF]
CaSe7
Fm-3m
225
cubic
m-3m
5,737.470072
false
[CIF] data_GaCoRhAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34744779 _cell_length_b 4.34744779 _cell_length_c 4.34744779 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaCoRhAu _chemical_formula_sum 'Ga1 Co1 Rh1 Au1' _cell_volume 58.10160455 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.53705491 1.53705491 1.53705490 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 Ga Ga2 1 3.07410981 3.07410981 3.07410981 1 Rh Rh3 1 4.61116472 4.61116472 4.61116472 1 [/CIF]
AuCoGaRh
F-43m
216
cubic
-43m
12,247.302445
false
[CIF] data_SrLiTaOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77379358 _cell_length_b 4.77379358 _cell_length_c 4.77379358 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrLiTaOs _chemical_formula_sum 'Sr1 Li1 Ta1 Os1' _cell_volume 76.92648868 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 3.37558181 3.37558181 3.37558181 1 Sr Sr2 1 1.68779090 1.68779091 1.68779091 1 Ta Ta3 1 5.06337272 5.06337272 5.06337271 1 [/CIF]
LiOsSrTa
F-43m
216
cubic
-43m
10,053.462966
false
[CIF] data_Na2PdS2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.52334606 _cell_length_b 5.52334606 _cell_length_c 10.98050257 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 142.07572665 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2PdS2 _chemical_formula_sum 'Na4 Pd2 S4' _cell_volume 205.88894105 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 1.79477401 -0.73084078 9.62363945 1 Na Na1 1 1.79477401 0.73084078 4.13338817 1 Na Na2 1 1.79477401 3.42612035 6.45753243 1 Na Na3 1 1.79477401 -3.42612035 0.96728115 1 S S4 1 1.79477400 0.50303738 6.96565804 1 S S5 1 1.79477401 -0.50303738 1.47540676 1 S S6 1 1.79477400 2.27060794 9.55304844 1 S S7 1 1.79477401 -2.27060794 4.06279715 1 Pd Pd8 1 1.79477401 -3.82784339 8.24759109 1 Pd Pd9 1 1.79477401 3.82784339 2.75733980 1 [/CIF]
Na4Pd2S4
Cmc2_1
36
orthorhombic
mm2
3,492.715597
false
[CIF] data_Na3CN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64597820 _cell_length_b 4.64597820 _cell_length_c 4.64597820 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na3CN _chemical_formula_sum 'Na3 C1 N1' _cell_volume 100.28396646 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 2.32298910 0.00000000 2.32298910 1 Na Na1 1 2.32298910 2.32298910 0.00000000 1 Na Na2 1 0.00000000 2.32298910 2.32298910 1 C C3 1 0.00000000 0.00000000 0.00000000 1 N N4 1 2.32298910 2.32298910 2.32298910 1 [/CIF]
CNNa3
Pm-3m
221
cubic
m-3m
1,572.825096
false
[CIF] data_TaCo3Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42503377 _cell_length_b 4.42503377 _cell_length_c 4.42503377 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaCo3Ni _chemical_formula_sum 'Ta1 Co3 Ni1' _cell_volume 86.64624935 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 0.00000000 0.00000000 0.00000000 1 Co Co1 1 2.21251688 0.00000000 2.21251688 1 Co Co2 1 2.21251688 2.21251688 0.00000000 1 Co Co3 1 0.00000000 2.21251688 2.21251688 1 Ta Ta4 1 2.21251688 2.21251688 2.21251688 1 [/CIF]
Co3NiTa
Pm-3m
221
cubic
m-3m
7,980.914701
false
[CIF] data_TcPt2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53210306 _cell_length_b 4.53210306 _cell_length_c 4.53210306 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcPt2Br _chemical_formula_sum 'Tc1 Pt2 Br1' _cell_volume 65.82400984 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000000 1 Pt Pt1 1 3.20468081 3.20468081 3.20468081 1 Pt Pt2 1 4.80702121 4.80702121 4.80702122 1 Tc Tc3 1 1.60234040 1.60234040 1.60234041 1 [/CIF]
BrPt2Tc
F-43m
216
cubic
-43m
14,353.585134
false
[CIF] data_ZnGeAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.73378163 _cell_length_b 6.73378163 _cell_length_c 6.73378163 _cell_angle_alpha 154.85632380 _cell_angle_beta 154.85632380 _cell_angle_gamma 35.85613305 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnGeAs _chemical_formula_sum 'Zn1 Ge1 As1' _cell_volume 55.05433732 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.14644555 1 Ge Ge1 1 0.00000000 -0.00000000 4.12384892 1 Zn Zn2 1 -0.00000000 0.00000000 8.54333402 1 [/CIF]
AsGeZn
I4mm
107
tetragonal
4mm
6,422.706419
false
[CIF] data_Ti5Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.76857121 _cell_length_b 2.76857121 _cell_length_c 12.98048361 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti5Re _chemical_formula_sum 'Ti5 Re1' _cell_volume 99.49523222 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Re Re0 1 1.38428561 1.38428561 6.49024181 1 Ti Ti1 1 0.00000000 0.00000000 4.34800016 1 Ti Ti2 1 0.00000000 0.00000000 8.63248345 1 Ti Ti3 1 1.38428561 1.38428561 2.17180456 1 Ti Ti4 1 1.38428561 1.38428561 10.80867905 1 Ti Ti5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
ReTi5
P4/mmm
123
tetragonal
4/mmm
7,102.140472
false
[CIF] data_Sc5Zn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.99543842 _cell_length_b 5.99543842 _cell_length_c 4.60601396 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 100.70114945 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc5Zn3 _chemical_formula_sum 'Sc5 Zn3' _cell_volume 162.68515029 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sc Sc1 1 1.91280992 -2.30813315 0.00000000 1 Sc Sc2 1 1.91280992 2.30813315 0.00000000 1 Sc Sc3 1 5.49569848 -0.00000000 2.30300698 1 Sc Sc4 1 2.15554122 -0.00000000 2.30300698 1 Zn Zn5 1 3.82561985 -0.00000000 0.00000000 1 Zn Zn6 1 3.82561985 -2.57485853 2.30300698 1 Zn Zn7 1 3.82561985 2.57485853 2.30300698 1 [/CIF]
Sc5Zn3
Cmmm
65
orthorhombic
mmm
4,296.356318
false
[CIF] data_YAgRhW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71592803 _cell_length_b 4.71592803 _cell_length_c 4.71592803 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YAgRhW _chemical_formula_sum 'Y1 Ag1 Rh1 W1' _cell_volume 74.16286664 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.33466469 3.33466469 3.33466469 1 Rh Rh1 1 1.66733234 1.66733234 1.66733234 1 W W2 1 5.00199704 5.00199704 5.00199703 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgRhWY
F-43m
216
cubic
-43m
10,826.214501
false
[CIF] data_KZnTcRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62221020 _cell_length_b 4.62221020 _cell_length_c 4.62221020 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KZnTcRh _chemical_formula_sum 'K1 Zn1 Tc1 Rh1' _cell_volume 69.82871954 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 0.00000000 0.00000000 0.00000000 1 Rh Rh1 1 4.90259427 4.90259427 4.90259427 1 Tc Tc2 1 1.63419809 1.63419809 1.63419809 1 Zn Zn3 1 3.26839618 3.26839618 3.26839618 1 [/CIF]
KRhTcZn
F-43m
216
cubic
-43m
7,283.629344
false
[CIF] data_TlFe2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.05753023 _cell_length_b 3.05753023 _cell_length_c 6.51393417 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlFe2Rh _chemical_formula_sum 'Tl1 Fe2 Rh1' _cell_volume 60.89545561 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.26451445 1 Fe Fe1 1 1.52876511 1.52876511 1.55324011 1 Rh Rh2 1 0.00000000 0.00000000 3.01519147 1 Tl Tl3 1 1.52876511 1.52876511 4.93795522 1 [/CIF]
Fe2RhTl
P4mm
99
tetragonal
4mm
11,425.021551
false
[CIF] data_FeSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51786151 _cell_length_b 5.51786151 _cell_length_c 4.86767320 _cell_angle_alpha 105.51450086 _cell_angle_beta 105.51450086 _cell_angle_gamma 27.94625883 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeSi _chemical_formula_sum 'Fe3 Si3' _cell_volume 66.76468166 _cell_formula_units_Z 3 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 9.11691355 -0.00000000 4.63758019 1 Fe Fe1 1 2.57690200 -0.00000000 2.68012046 1 Fe Fe2 1 5.69150174 -0.00000000 3.65039934 1 Si Si3 1 6.49960145 -0.00000000 1.35967638 1 Si Si4 1 9.76803638 -0.00000000 2.19929057 1 Si Si5 1 3.15007067 -0.00000000 0.29010200 1 [/CIF]
Fe3Si3
Cm
8
monoclinic
m
6,262.437144
false
[CIF] data_Ta5Ge3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.63773236 _cell_length_b 7.63773236 _cell_length_c 7.63773236 _cell_angle_alpha 96.64345522 _cell_angle_beta 96.64345522 _cell_angle_gamma 140.23003276 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta5Ge3 _chemical_formula_sum 'Ta10 Ge6' _cell_volume 268.02572565 _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 3.38122808 1.69746042 2.59784561 1 Ge Ge1 1 -1.69746042 3.38122808 2.59784560 1 Ge Ge2 1 6.77614892 1.69746042 -0.00000000 1 Ge Ge3 1 1.69746042 3.38122808 -0.00000000 1 Ge Ge4 1 0.00000000 0.00000000 1.29892280 1 Ge Ge5 1 0.00000000 -0.00000000 3.89676841 1 Ta Ta6 1 2.27281747 0.75568462 -0.00000000 1 Ta Ta7 1 4.32300388 2.80587103 -0.00000000 1 Ta Ta8 1 2.27281747 -0.75568462 2.59784560 1 Ta Ta9 1 0.75568462 7.88455953 0.00000000 1 Ta Ta10 1 5.07868850 -0.00000000 1.29892280 1 Ta Ta11 1 0.00000000 5.07868850 1.29892280 1 Ta Ta12 1 4.32300388 -2.80587103 2.59784561 1 Ta Ta13 1 2.80587103 5.83437312 0.00000000 1 Ta Ta14 1 0.75568462 2.27281747 2.59784560 1 Ta Ta15 1 2.80587103 4.32300388 2.59784560 1 [/CIF]
Ge6Ta10
I4/mcm
140
tetragonal
4/mmm
13,910.752691
false
[CIF] data_Sc(PPb)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.44089369 _cell_length_b 16.59116666 _cell_length_c 3.49299596 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc(PPb)2 _chemical_formula_sum 'Sc4 P8 Pb8' _cell_volume 489.17408320 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P P0 1 4.22143949 9.40502519 0.00000000 1 P P1 1 4.21945420 7.18614147 0.00000000 1 P P2 1 8.43990104 1.10944186 0.00000000 1 P P3 1 0.00099265 15.48172480 0.00000000 1 P P4 1 3.09038717 12.75386590 0.00000000 1 P P5 1 5.35050652 3.83730076 0.00000000 1 P P6 1 1.13005967 4.45828257 0.00000000 1 P P7 1 7.31083402 12.13288409 0.00000000 1 Pb Pb8 1 2.75714559 15.51179845 0.00000000 1 Pb Pb9 1 5.68374810 1.07936821 0.00000000 1 Pb Pb10 1 1.46330126 7.21621512 0.00000000 1 Pb Pb11 1 6.97759243 9.37495154 0.00000000 1 Pb Pb12 1 1.57357242 10.54061439 0.00000000 1 Pb Pb13 1 6.86732127 6.05055227 0.00000000 1 Pb Pb14 1 2.64687443 2.24503106 0.00000000 1 Pb Pb15 1 5.79401926 14.34613560 0.00000000 1 Sc Sc16 1 0.49024871 13.47383792 1.74649798 1 Sc Sc17 1 7.95064498 3.11732874 1.74649798 1 Sc Sc18 1 3.73019814 5.17825459 1.74649798 1 Sc Sc19 1 4.71069555 11.41291207 1.74649798 1 [/CIF]
P8Pb8Sc4
Pbam
55
orthorhombic
mmm
7,078.418508
false
[CIF] data_Li2OsPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54660563 _cell_length_b 4.54660563 _cell_length_c 4.54660563 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2OsPb _chemical_formula_sum 'Li2 Os1 Pb1' _cell_volume 66.45793725 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Li Li1 1 1.60746784 1.60746784 1.60746784 1 Os Os2 1 3.21493567 3.21493567 3.21493567 1 Pb Pb3 1 4.82240351 4.82240351 4.82240351 1 [/CIF]
Li2OsPb
F-43m
216
cubic
-43m
10,277.171889
false
[CIF] data_Hf2ZrMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.64063480 _cell_length_b 5.64063480 _cell_length_c 3.01838779 _cell_angle_alpha 100.43144631 _cell_angle_beta 100.43144631 _cell_angle_gamma 116.36593595 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2ZrMo _chemical_formula_sum 'Hf2 Zr1 Mo1' _cell_volume 80.81192823 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 0.96859331 2.39652525 1.41740237 1 Hf Hf1 1 0.96859331 -2.39652525 1.41740237 1 Mo Mo2 1 2.97379014 0.00000000 0.00000000 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hf2MoZr
C2/m
12
monoclinic
2/m
11,181.586684
false
[CIF] data_La2MnAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.79675143 _cell_length_b 3.79675143 _cell_length_c 6.72024321 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2MnAs _chemical_formula_sum 'La2 Mn1 As1' _cell_volume 96.87446590 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 0.00000000 0.00000000 3.36012160 1 La La1 1 1.89837572 1.89837572 5.04078407 1 La La2 1 1.89837572 1.89837572 1.67945914 1 Mn Mn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsLa2Mn
P4/mmm
123
tetragonal
4/mmm
6,987.939767
false
[CIF] data_K3MnP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.61580678 _cell_length_b 12.34216958 _cell_length_c 8.79335388 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K3MnP _chemical_formula_sum 'K12 Mn4 P4' _cell_volume 935.06545202 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 8.51297652 9.25662719 0.58290167 1 K K1 1 4.41073365 3.08554240 4.97957861 1 K K2 1 0.10283026 3.08554240 8.21045221 1 K K3 1 4.20507313 9.25662719 3.81377527 1 K K4 1 1.75354302 11.99455706 6.20502929 1 K K5 1 2.55436037 0.34761252 1.80835235 1 K K6 1 6.86226376 5.82347227 2.58832459 1 K K7 1 6.06144641 6.51869731 6.98500153 1 K K8 1 6.86226376 0.34761252 2.58832459 1 K K9 1 6.06144641 11.99455706 6.98500153 1 K K10 1 1.75354302 6.51869731 6.20502929 1 K K11 1 2.55436037 5.82347227 1.80835235 1 Mn Mn12 1 3.64306948 9.25662719 8.67871967 1 Mn Mn13 1 0.66483391 3.08554240 4.28204273 1 Mn Mn14 1 4.97273730 3.08554240 0.11463421 1 Mn Mn15 1 7.95097287 9.25662719 4.51131115 1 P P16 1 4.30790339 0.00000000 4.39667694 1 P P17 1 0.00000000 0.00000000 0.00000000 1 P P18 1 4.30790339 6.17108479 4.39667694 1 P P19 1 0.00000000 6.17108479 0.00000000 1 [/CIF]
K12Mn4P4
Pnma
62
orthorhombic
mmm
1,443.461203
false
[CIF] data_Bi2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.01983994 _cell_length_b 7.01983994 _cell_length_c 6.89067085 _cell_angle_alpha 104.59481632 _cell_angle_beta 104.59481632 _cell_angle_gamma 27.45738387 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi2Ir _chemical_formula_sum 'Bi4 Ir2' _cell_volume 151.20809217 _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 10.14265182 -0.00000000 6.17914426 1 Bi Bi1 1 0.67784094 -0.00000000 3.75043247 1 Bi Bi2 1 1.70853130 -0.00000000 0.47567253 1 Bi Bi3 1 11.17334218 -0.00000000 2.90438432 1 Ir Ir4 1 6.40233519 0.00000000 1.47711052 1 Ir Ir5 1 5.44884793 -0.00000000 5.17770627 1 [/CIF]
Bi4Ir2
C2/m
12
monoclinic
2/m
13,401.717592
false
[CIF] data_Be2Rh2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36043536 _cell_length_b 5.36043536 _cell_length_c 5.36043536 _cell_angle_alpha 135.25353394 _cell_angle_beta 135.25353394 _cell_angle_gamma 65.13651930 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2Rh2Pb _chemical_formula_sum 'Be2 Rh2 Pb1' _cell_volume 75.22887184 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 -0.00000000 5.81618000 1 Be Be1 1 -0.00000000 0.00000000 3.21884166 1 Pb Pb2 1 0.00000000 0.00000000 0.00000000 1 Rh Rh3 1 -0.00000000 2.04038761 2.25875542 1 Rh Rh4 1 2.04038761 -0.00000000 2.25875542 1 [/CIF]
Be2PbRh2
I4/mmm
139
tetragonal
4/mmm
9,514.313368
false
[CIF] data_Mn2CrPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30604615 _cell_length_b 4.30604615 _cell_length_c 4.30604615 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2CrPt _chemical_formula_sum 'Mn2 Cr1 Pt1' _cell_volume 56.45742174 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 0.00000000 0.00000000 0.00000000 1 Mn Mn1 1 1.52241722 1.52241722 1.52241722 1 Mn Mn2 1 4.56725165 4.56725165 4.56725165 1 Pt Pt3 1 3.04483443 3.04483443 3.04483443 1 [/CIF]
CrMn2Pt
Fm-3m
225
cubic
m-3m
10,498.880047
false
[CIF] data_Be2BOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.58702053 _cell_length_b 2.58702053 _cell_length_c 6.89978352 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 117.23536306 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2BOs _chemical_formula_sum 'Be2 B1 Os1' _cell_volume 41.05844263 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Be Be1 1 1.34718111 0.00000000 1.45090249 1 Be Be2 1 1.34718111 0.00000000 5.44888103 1 Os Os3 1 0.00000000 0.00000000 3.44989176 1 [/CIF]
BBe2Os
Cmmm
65
orthorhombic
mmm
8,859.727056
false
[CIF] data_TaSbMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49645628 _cell_length_b 4.49645628 _cell_length_c 4.49645628 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaSbMo _chemical_formula_sum 'Ta1 Sb1 Mo1' _cell_volume 64.28299882 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 0.00000000 0.00000000 0.00000000 1 Sb Sb1 1 1.58973737 1.58973737 1.58973737 1 Ta Ta2 1 3.17947473 3.17947473 3.17947473 1 [/CIF]
MoSbTa
F-43m
216
cubic
-43m
10,298.268616
false
[CIF] data_VPRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58938924 _cell_length_b 4.58938924 _cell_length_c 4.58938924 _cell_angle_alpha 131.57305088 _cell_angle_beta 131.57305088 _cell_angle_gamma 70.90418825 _symmetry_Int_Tables_number 1 _chemical_formula_structural VPRh2 _chemical_formula_sum 'V1 P1 Rh2' _cell_volume 52.98201977 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P P0 1 0.00000000 0.00000000 -0.00000000 1 Rh Rh1 1 1.88228077 0.00000000 1.86926000 1 Rh Rh2 1 -0.00000000 1.88228077 1.86926000 1 V V3 1 0.00000000 -0.00000000 3.73852000 1 [/CIF]
PRh2V
I4/mmm
139
tetragonal
4/mmm
9,017.789442
false
[CIF] data_NaLiAlZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78578673 _cell_length_b 4.78578673 _cell_length_c 4.78578673 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLiAlZn _chemical_formula_sum 'Na1 Li1 Al1 Zn1' _cell_volume 77.50773141 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.69203112 1.69203113 1.69203113 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Na Na2 1 3.38406225 3.38406225 3.38406225 1 Zn Zn3 1 5.07609338 5.07609338 5.07609338 1 [/CIF]
AlLiNaZn
F-43m
216
cubic
-43m
2,620.011592
false
[CIF] data_ScMn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.09191119 _cell_length_b 3.09191119 _cell_length_c 4.39195083 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScMn _chemical_formula_sum 'Sc1 Mn1' _cell_volume 36.36152780 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.54595561 0.89255787 2.19597541 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
MnSc
P-6m2
187
hexagonal
-6m2
4,561.904529
false
[CIF] data_Sc2TcRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.23941487 _cell_length_b 8.23941487 _cell_length_c 8.23941487 _cell_angle_alpha 22.23130073 _cell_angle_beta 22.23130073 _cell_angle_gamma 22.23130073 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2TcRh _chemical_formula_sum 'Sc2 Tc1 Rh1' _cell_volume 70.21205880 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 12.04898869 1 Sc Sc1 1 -0.00000000 0.00000000 6.03696939 1 Sc Sc2 1 0.00000000 -0.00000000 18.06100799 1 Tc Tc3 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
RhSc2Tc
R-3m
166
trigonal
-3m
6,899.360544
false
[CIF] data_GaTeIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51480410 _cell_length_b 4.51480410 _cell_length_c 4.97143332 _cell_angle_alpha 105.21213158 _cell_angle_beta 105.21213158 _cell_angle_gamma 48.59597744 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaTeIr2 _chemical_formula_sum 'Ga1 Te1 Ir2' _cell_volume 72.78975284 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 1.00339159 0.00000000 4.31364285 1 Ir Ir1 1 6.81227941 0.00000000 4.10374255 1 Ir Ir2 1 5.81142764 0.00000000 1.19778496 1 Te Te3 1 3.36912450 0.00000000 2.28720767 1 [/CIF]
GaIr2Te
Cm
8
monoclinic
m
13,271.514026
false
[CIF] data_K2BiAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.73184154 _cell_length_b 5.73184154 _cell_length_c 5.73184154 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2BiAs _chemical_formula_sum 'K2 Bi1 As1' _cell_volume 133.15808140 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Bi Bi1 1 4.05302402 4.05302402 4.05302402 1 K K2 1 2.02651201 2.02651201 2.02651201 1 K K3 1 6.07953603 6.07953603 6.07953603 1 [/CIF]
AsBiK2
Fm-3m
225
cubic
m-3m
4,515.526695
false
[CIF] data_LaBMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.22021691 _cell_length_b 8.22021691 _cell_length_c 8.22021691 _cell_angle_alpha 22.39317171 _cell_angle_beta 22.39317171 _cell_angle_gamma 22.39317171 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaBMo2 _chemical_formula_sum 'La1 B1 Mo2' _cell_volume 70.70182675 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 0.00000000 1 La La1 1 0.00000000 -0.00000000 12.01639159 1 Mo Mo2 1 0.00000000 -0.00000000 17.17151178 1 Mo Mo3 1 0.00000000 0.00000000 6.86127140 1 [/CIF]
BLaMo2
R-3m
166
trigonal
-3m
8,023.84792
false
[CIF] data_Ca3In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.81483683 _cell_length_b 3.81483683 _cell_length_c 9.72642272 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca3In _chemical_formula_sum 'Ca3 In1' _cell_volume 141.54843579 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 1.90741842 1.90741842 2.91311506 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 Ca Ca2 1 1.90741842 1.90741842 6.81330766 1 In In3 1 0.00000000 0.00000000 4.86321136 1 [/CIF]
Ca3In
P4/mmm
123
tetragonal
4/mmm
2,757.573985
false
[CIF] data_CuBiAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.29561436 _cell_length_b 3.29561436 _cell_length_c 7.27025787 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuBiAu2 _chemical_formula_sum 'Cu1 Bi1 Au2' _cell_volume 78.96280880 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.64780718 1.64780718 1.42884843 1 Au Au1 1 1.64780718 1.64780718 5.84140944 1 Bi Bi2 1 0.00000000 0.00000000 3.63512894 1 Cu Cu3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2BiCu
P4/mmm
123
tetragonal
4/mmm
14,015.232184
false
[CIF] data_ScVMoPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50190538 _cell_length_b 4.50190538 _cell_length_c 4.50190538 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScVMoPt _chemical_formula_sum 'Sc1 V1 Mo1 Pt1' _cell_volume 64.51698885 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 3.18332782 3.18332782 3.18332782 1 Pt Pt1 1 4.77499173 4.77499173 4.77499173 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 1.59166391 1.59166391 1.59166391 1 [/CIF]
MoPtScV
F-43m
216
cubic
-43m
9,959.102905
false
[CIF] data_Ta2MoRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.68892330 _cell_length_b 9.68892330 _cell_length_c 9.68892330 _cell_angle_alpha 16.92093994 _cell_angle_beta 16.92093994 _cell_angle_gamma 16.92093994 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2MoRh _chemical_formula_sum 'Ta2 Mo1 Rh1' _cell_volume 67.21134695 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 0.00000000 0.00000000 14.48540137 1 Rh Rh1 1 -0.00000000 -0.00000000 7.11014088 1 Ta Ta2 1 -0.00000000 -0.00000000 28.48689012 1 Ta Ta3 1 0.00000000 0.00000000 21.52816527 1 [/CIF]
MoRhTa2
R3m
160
trigonal
3m
13,854.297244
false
[CIF] data_PmH _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.82259041 _cell_length_b 3.82259041 _cell_length_c 6.04921300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PmH _chemical_formula_sum 'Pm2 H2' _cell_volume 76.54997282 _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 Pm Pm0 1 1.91129521 1.10348680 5.33753519 1 Pm Pm1 1 -0.00000000 2.20697360 2.31292869 1 H H2 1 1.91129521 1.10348680 2.98019923 1 H H3 1 -0.00000000 2.20697360 6.00480573 1 [/CIF]
H2Pm2
P6_3mc
186
hexagonal
6mm
6,334.473078
false
[CIF] data_ReB2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.03899862 _cell_length_b 4.03899862 _cell_length_c 4.03899862 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReB2Pd _chemical_formula_sum 'Re1 B2 Pd1' _cell_volume 46.59143802 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 B B1 1 4.28400497 4.28400497 4.28400497 1 Pd Pd2 1 2.85600331 2.85600331 2.85600331 1 Re Re3 1 1.42800166 1.42800166 1.42800166 1 [/CIF]
B2PdRe
F-43m
216
cubic
-43m
11,199.970708
false
[CIF] data_Li2WAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03197485 _cell_length_b 5.03197485 _cell_length_c 5.03197485 _cell_angle_alpha 134.41070718 _cell_angle_beta 134.41070718 _cell_angle_gamma 66.44721937 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2WAu _chemical_formula_sum 'Li2 W1 Au1' _cell_volume 63.99508552 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.20944125 1 Li Li1 1 0.00000000 1.94953524 2.10472063 1 Li Li2 1 1.94953524 0.00000000 2.10472063 1 W W3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuLi2W
I4/mmm
139
tetragonal
4/mmm
10,241.345607
false
[CIF] data_LaZrSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.89200538 _cell_length_b 5.89200538 _cell_length_c 5.89200538 _cell_angle_alpha 140.43015066 _cell_angle_beta 140.43015066 _cell_angle_gamma 57.20075505 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaZrSn _chemical_formula_sum 'La1 Zr1 Sn1' _cell_volume 82.30505557 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.07934235 1 Sn Sn1 1 -0.00000000 -0.00000000 7.13704714 1 Zr Zr2 1 0.00000000 0.00000000 3.12973417 1 [/CIF]
LaSnZr
I4mm
107
tetragonal
4mm
7,037.986109
false
[CIF] data_MgNbCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.26450822 _cell_length_b 6.26450822 _cell_length_c 6.26450822 _cell_angle_alpha 153.33061649 _cell_angle_beta 153.33061649 _cell_angle_gamma 38.07327776 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgNbCu _chemical_formula_sum 'Mg1 Nb1 Cu1' _cell_volume 49.44934594 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00135102 1 Mg Mg1 1 -0.00000000 0.00000000 4.10671878 1 Nb Nb2 1 -0.00000000 -0.00000000 7.73573714 1 [/CIF]
CuMgNb
I4mm
107
tetragonal
4mm
6,069.942592
false
[CIF] data_Be2RuRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.61814837 _cell_length_b 2.61814837 _cell_length_c 7.75285501 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 115.48779150 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2RuRh _chemical_formula_sum 'Be2 Ru1 Rh1' _cell_volume 47.97141682 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.39731787 0.00000000 7.67109092 1 Be Be1 1 0.00000000 0.00000000 5.86990245 1 Rh Rh2 1 1.39731787 0.00000000 4.10588046 1 Ru Ru3 1 0.00000000 0.00000000 1.73526370 1 [/CIF]
Be2RhRu
Cmm2
35
orthorhombic
mm2
7,684.564504
false
[CIF] data_Y2TcRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.92833882 _cell_length_b 5.92833882 _cell_length_c 5.92833882 _cell_angle_alpha 146.26226177 _cell_angle_beta 133.53826015 _cell_angle_gamma 58.63908223 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2TcRh _chemical_formula_sum 'Y2 Tc1 Rh1' _cell_volume 83.17168099 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.33835657 0.20759259 1 Tc Tc1 1 0.00000000 0.00000000 7.54771977 1 Y Y2 1 0.00000000 2.33835657 5.04138687 1 Y Y3 1 -0.00000000 0.00000000 2.71009779 1 [/CIF]
RhTcY2
Imm2
44
orthorhombic
mm2
7,579.25629
false
[CIF] data_TiCrGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.31496307 _cell_length_b 3.31496307 _cell_length_c 5.33387399 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCrGe2 _chemical_formula_sum 'Ti1 Cr1 Ge2' _cell_volume 58.61383543 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.65748154 1.65748154 4.04496686 1 Ge Ge1 1 0.00000000 0.00000000 5.24119382 1 Ge Ge2 1 1.65748154 1.65748154 1.37330171 1 Ti Ti3 1 0.00000000 0.00000000 2.67522253 1 [/CIF]
CrGe2Ti
P4mm
99
tetragonal
4mm
6,944.94212
false
[CIF] data_NaTc2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82185787 _cell_length_b 2.82185787 _cell_length_c 9.15065645 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTc2Br _chemical_formula_sum 'Na1 Tc2 Br1' _cell_volume 72.86559606 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.00000000 0.00000000 4.57532822 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 1.41092894 1.41092894 2.55703482 1 Tc Tc3 1 1.41092894 1.41092894 6.59362163 1 [/CIF]
BrNaTc2
P4/mmm
123
tetragonal
4/mmm
6,852.813518
false
[CIF] data_Nd2HgPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23815087 _cell_length_b 5.23815087 _cell_length_c 5.23815087 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd2HgPd _chemical_formula_sum 'Nd2 Hg1 Pd1' _cell_volume 101.62931783 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.70393200 3.70393200 3.70393200 1 Nd Nd1 1 1.85196600 1.85196600 1.85196600 1 Nd Nd2 1 5.55589800 5.55589800 5.55589800 1 Pd Pd3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgNd2Pd
Fm-3m
225
cubic
m-3m
9,729.879842
false
[CIF] data_MgTi2Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.88668188 _cell_length_b 3.96145090 _cell_length_c 5.67626044 _cell_angle_alpha 90.00000000 _cell_angle_beta 102.48953825 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTi2Co _chemical_formula_sum 'Mg1 Ti2 Co1' _cell_volume 63.37450823 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.61377786 0.00000000 2.77096732 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Ti Ti2 1 1.38935825 1.98072545 1.60809480 1 Ti Ti3 1 0.26976791 1.98072545 3.93383983 1 [/CIF]
CoMgTi2
P2/m
10
monoclinic
2/m
4,689.430024
false
[CIF] data_Li4TcAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77903143 _cell_length_b 4.77903143 _cell_length_c 4.77903143 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li4TcAs _chemical_formula_sum 'Li4 Tc1 As1' _cell_volume 77.17998001 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Li Li1 1 4.21658014 4.21658014 2.54199092 1 Li Li2 1 4.21658014 2.54199092 4.21658014 1 Li Li3 1 2.54199092 4.21658014 4.21658014 1 Li Li4 1 2.54199092 2.54199092 2.54199092 1 Tc Tc5 1 5.06892830 5.06892830 5.06892830 1 [/CIF]
AsLi4Tc
F-43m
216
cubic
-43m
4,337.27839
false
[CIF] data_HfZrMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57807273 _cell_length_b 4.57807273 _cell_length_c 4.57807273 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZrMo _chemical_formula_sum 'Hf1 Zr1 Mo1' _cell_volume 67.84737739 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.85577940 4.85577940 4.85577940 1 Mo Mo1 1 1.61859313 1.61859313 1.61859313 1 Zr Zr2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfMoZr
F-43m
216
cubic
-43m
8,949.73374
false