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_LiNi4Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69954466 _cell_length_b 4.69954466 _cell_length_c 4.69954466 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiNi4Pt _chemical_formula_sum 'Li1 Ni4 Pt1' _cell_volume 73.39261235 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 2.49284806 4.15331174 2.49284806 1 Ni Ni2 1 4.15331174 2.49284806 2.49284806 1 Ni Ni3 1 4.15331174 4.15331174 4.15331174 1 Ni Ni4 1 2.49284806 2.49284806 4.15331174 1 Pt Pt5 1 1.66153995 1.66153995 1.66153995 1 [/CIF]
LiNi4Pt
F-43m
216
cubic
-43m
9,882.754085
false
[CIF] data_DyTaW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72669912 _cell_length_b 4.72669912 _cell_length_c 4.72669912 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural DyTaW2 _chemical_formula_sum 'Dy1 Ta1 W2' _cell_volume 74.67218783 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000000 -0.00000000 -0.00000000 1 Ta Ta1 1 3.34228100 3.34228100 3.34228100 1 W W2 1 5.01342150 5.01342150 5.01342150 1 W W3 1 1.67114050 1.67114050 1.67114050 1 [/CIF]
DyTaW2
Fm-3m
225
cubic
m-3m
15,813.861363
false
[CIF] data_Ca3La _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.44967862 _cell_length_b 7.44967862 _cell_length_c 7.44967862 _cell_angle_alpha 150.25749402 _cell_angle_beta 62.54740839 _cell_angle_gamma 126.35245755 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca3La _chemical_formula_sum 'Ca3 La1' _cell_volume 163.69586442 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.17885077 3.36240682 1 Ca Ca1 1 1.91194438 3.18836848 0.00075556 1 Ca Ca2 1 0.00000000 0.00000000 5.60101699 1 La La3 1 1.91194438 -0.00000000 2.24132477 1 [/CIF]
Ca3La
Imm2
44
orthorhombic
mm2
2,628.723793
false
[CIF] data_Hf2GeCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.18441961 _cell_length_b 3.18441961 _cell_length_c 9.14227758 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 121.98050232 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2GeCl _chemical_formula_sum 'Hf2 Ge1 Cl1' _cell_volume 78.63715258 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 0.00000000 0.00000000 4.57113879 1 Hf Hf2 1 1.54431113 0.00000000 6.90042875 1 Hf Hf3 1 1.54431113 0.00000000 2.24184883 1 [/CIF]
ClGeHf2
Cmmm
65
orthorhombic
mmm
9,820.700013
false
[CIF] data_Al2SiNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.92511143 _cell_length_b 3.92511143 _cell_length_c 4.92668044 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2SiNi2 _chemical_formula_sum 'Al2 Si1 Ni2' _cell_volume 65.73384040 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 -0.00000000 2.26616414 1.73925338 1 Al Al1 1 1.96255571 1.13308207 3.18742706 1 Ni Ni2 1 1.96255571 1.13308207 0.72580561 1 Ni Ni3 1 0.00000000 2.26616414 4.20087483 1 Si Si4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al2Ni2Si
P-3m1
164
trigonal
-3m
5,038.44299
false
[CIF] data_SrTcSnW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83995428 _cell_length_b 4.83995428 _cell_length_c 4.83995428 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTcSnW _chemical_formula_sum 'Sr1 Tc1 Sn1 W1' _cell_volume 80.16942687 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sn Sn0 1 1.71118225 1.71118225 1.71118225 1 Sr Sr1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 3.42236449 3.42236449 3.42236449 1 W W3 1 5.13354674 5.13354674 5.13354674 1 [/CIF]
SnSrTcW
F-43m
216
cubic
-43m
10,130.172664
false
[CIF] data_Tm2AgOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88618281 _cell_length_b 4.88618281 _cell_length_c 4.88618281 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm2AgOs _chemical_formula_sum 'Tm2 Ag1 Os1' _cell_volume 82.48863878 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tm Tm0 1 5.18257950 5.18257950 5.18257950 1 Tm Tm1 1 1.72752650 1.72752650 1.72752650 1 Ag Ag2 1 0.00000000 0.00000000 0.00000000 1 Os Os3 1 3.45505300 3.45505300 3.45505300 1 [/CIF]
AgOsTm2
Fm-3m
225
cubic
m-3m
12,802.33779
false
[CIF] data_BeZnPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.38203476 _cell_length_b 3.38203476 _cell_length_c 7.93019104 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeZnPb2 _chemical_formula_sum 'Be1 Zn1 Pb2' _cell_volume 90.70678695 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 1.69101738 1.69101738 1.76082501 1 Pb Pb2 1 1.69101738 1.69101738 6.16936603 1 Zn Zn3 1 0.00000000 0.00000000 3.96509552 1 [/CIF]
BePb2Zn
P4/mmm
123
tetragonal
4/mmm
8,948.156372
false
[CIF] data_Ti2InNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.90657743 _cell_length_b 2.90657743 _cell_length_c 7.71182586 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2InNi _chemical_formula_sum 'Ti2 In1 Ni1' _cell_volume 65.15098840 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.85591293 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Ti Ti2 1 1.45328872 1.45328872 1.60601272 1 Ti Ti3 1 1.45328872 1.45328872 6.10581314 1 [/CIF]
InNiTi2
P4/mmm
123
tetragonal
4/mmm
6,862.693425
false
[CIF] data_Hf2ReOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50631259 _cell_length_b 5.50631259 _cell_length_c 5.50631259 _cell_angle_alpha 145.60271917 _cell_angle_beta 131.40879112 _cell_angle_gamma 60.88479387 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2ReOs _chemical_formula_sum 'Hf2 Re1 Os1' _cell_volume 70.04238264 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 1.62813614 0.00000000 4.68011618 1 Hf Hf1 1 0.00000000 0.00000000 7.18951939 1 Os Os2 1 1.62813614 -0.00000000 0.05396055 1 Re Re3 1 -0.00000000 0.00000000 2.31802412 1 [/CIF]
Hf2OsRe
Imm2
44
orthorhombic
mm2
17,387.73635
false
[CIF] data_ReMoP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21875103 _cell_length_b 4.21875103 _cell_length_c 4.21875103 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReMoP2 _chemical_formula_sum 'Re1 Mo1 P2' _cell_volume 53.09292972 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 P P1 1 1.49155373 1.49155373 1.49155373 1 P P2 1 4.47466119 4.47466119 4.47466119 1 Re Re3 1 2.98310746 2.98310746 2.98310746 1 [/CIF]
MoP2Re
Fm-3m
225
cubic
m-3m
10,762.620071
false
[CIF] data_TlTcNiRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44444090 _cell_length_b 4.44444090 _cell_length_c 4.44444090 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlTcNiRh _chemical_formula_sum 'Tl1 Tc1 Ni1 Rh1' _cell_volume 62.07781313 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 0.00000000 0.00000000 0.00000000 1 Rh Rh1 1 4.71404145 4.71404145 4.71404145 1 Tc Tc2 1 1.57134715 1.57134715 1.57134715 1 Tl Tl3 1 3.14269430 3.14269430 3.14269430 1 [/CIF]
NiRhTcTl
F-43m
216
cubic
-43m
12,435.446916
false
[CIF] data_ZnFeSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23298233 _cell_length_b 4.23298233 _cell_length_c 4.23298233 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnFeSb _chemical_formula_sum 'Zn1 Fe1 Sb1' _cell_volume 53.63204646 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sb Sb1 1 2.99317051 2.99317051 2.99317051 1 Zn Zn2 1 1.49658526 1.49658526 1.49658526 1 [/CIF]
FeSbZn
F-43m
216
cubic
-43m
7,523.227468
false
[CIF] data_HfScRuPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62103786 _cell_length_b 4.62103786 _cell_length_c 4.62103786 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfScRuPt _chemical_formula_sum 'Hf1 Sc1 Ru1 Pt1' _cell_volume 69.77560061 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.26756721 3.26756721 3.26756721 1 Pt Pt1 1 1.63378361 1.63378361 1.63378361 1 Ru Ru2 1 4.90135082 4.90135082 4.90135082 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfPtRuSc
F-43m
216
cubic
-43m
12,365.582601
false
[CIF] data_Ce2PaGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41208784 _cell_length_b 5.41208784 _cell_length_c 5.41208784 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce2PaGa _chemical_formula_sum 'Ce2 Pa1 Ga1' _cell_volume 112.09326330 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ce Ce0 1 1.91346201 1.91346201 1.91346201 1 Ce Ce1 1 5.74038602 5.74038602 5.74038602 1 Ga Ga2 1 0.00000000 0.00000000 0.00000000 1 Pa Pa3 1 3.82692401 3.82692401 3.82692401 1 [/CIF]
Ce2GaPa
Fm-3m
225
cubic
m-3m
8,606.744288
false
[CIF] data_CaHg2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.05494063 _cell_length_b 4.23777775 _cell_length_c 6.61632480 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaHg2W _chemical_formula_sum 'Ca1 Hg2 W1' _cell_volume 85.65599570 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 1.52747032 2.11888887 1.84047055 1 Hg Hg2 1 1.52747032 2.11888887 4.77585425 1 W W3 1 0.00000000 0.00000000 3.30816240 1 [/CIF]
CaHg2W
Pmmm
47
orthorhombic
mmm
12,118.23692
false
[CIF] data_NaMnO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40504428 _cell_length_b 5.40504428 _cell_length_c 7.04613100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 114.01403197 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaMnO4 _chemical_formula_sum 'Na2 Mn2 O8' _cell_volume 188.03210959 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 0.00000000 0.00000000 0.00000000 1 Na Na1 1 0.00000000 0.00000000 3.52306550 1 Mn Mn2 1 2.94324300 1.25915518 5.28459825 1 Mn Mn3 1 2.94324300 -1.25915518 1.76153275 1 O O4 1 1.61364475 -0.32021302 1.76153275 1 O O5 1 1.61364475 0.32021302 5.28459825 1 O O6 1 2.94324300 2.17803246 3.96664058 1 O O7 1 2.94324300 -2.17803246 0.44357508 1 O O8 1 2.94324300 -2.17803246 3.07949042 1 O O9 1 2.94324300 2.17803246 6.60255592 1 O O10 1 4.27284125 -0.32021302 1.76153275 1 O O11 1 4.27284125 0.32021302 5.28459825 1 [/CIF]
Mn2Na2O8
Cmcm
63
orthorhombic
mmm
2,506.728191
false
[CIF] data_K2ScAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.82422784 _cell_length_b 5.82422784 _cell_length_c 5.82422784 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2ScAu _chemical_formula_sum 'K2 Sc1 Au1' _cell_volume 139.70117850 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.11835100 4.11835100 4.11835100 1 K K1 1 6.17752650 6.17752650 6.17752650 1 K K2 1 2.05917550 2.05917550 2.05917550 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuK2Sc
Fm-3m
225
cubic
m-3m
3,805.051938
false
[CIF] data_BeBPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.68146820 _cell_length_b 3.68146820 _cell_length_c 3.68146820 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeBPt _chemical_formula_sum 'Be1 B1 Pt1' _cell_volume 35.28159116 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 2.60319113 2.60319113 2.60319113 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 3.90478670 3.90478670 3.90478670 1 [/CIF]
BBePt
F-43m
216
cubic
-43m
10,114.673395
false
[CIF] data_BaSrZrRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32199174 _cell_length_b 5.32199174 _cell_length_c 5.32199174 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSrZrRu _chemical_formula_sum 'Ba1 Sr1 Zr1 Ru1' _cell_volume 106.58782276 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.64482467 5.64482467 5.64482468 1 Ru Ru1 1 1.88160822 1.88160822 1.88160822 1 Sr Sr2 1 0.00000000 -0.00000000 0.00000000 1 Zr Zr3 1 3.76321645 3.76321645 3.76321645 1 [/CIF]
BaRuSrZr
F-43m
216
cubic
-43m
6,500.226412
false
[CIF] data_KScNbAl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02027337 _cell_length_b 5.02027337 _cell_length_c 5.02027337 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KScNbAl _chemical_formula_sum 'K1 Sc1 Nb1 Al1' _cell_volume 89.46787051 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 K K1 1 3.54986934 3.54986934 3.54986934 1 Nb Nb2 1 1.77493467 1.77493467 1.77493467 1 Sc Sc3 1 5.32480401 5.32480401 5.32480401 1 [/CIF]
AlKNbSc
F-43m
216
cubic
-43m
3,785.201025
false
[CIF] data_BaCu2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33797094 _cell_length_b 5.33797094 _cell_length_c 5.33797094 _cell_angle_alpha 131.78853613 _cell_angle_beta 131.78853613 _cell_angle_gamma 70.56321681 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCu2Pd _chemical_formula_sum 'Ba1 Cu2 Pd1' _cell_volume 82.84540891 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 -0.00000000 2.18014359 2.17875432 1 Cu Cu1 1 0.00000000 0.00000000 0.00000000 1 Cu Cu2 1 2.18014359 0.00000000 2.17875432 1 Pd Pd3 1 0.00000000 0.00000000 4.35750865 1 [/CIF]
BaCu2Pd
I-4m2
119
tetragonal
-42m
7,433.032863
false
[CIF] data_NaHfTiPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95070614 _cell_length_b 4.95070614 _cell_length_c 4.95070614 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaHfTiPb _chemical_formula_sum 'Na1 Hf1 Ti1 Pb1' _cell_volume 85.79983383 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 1.75033894 1.75033894 1.75033894 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Pb Pb2 1 3.50067788 3.50067788 3.50067788 1 Ti Ti3 1 5.25101682 5.25101682 5.25101682 1 [/CIF]
HfNaPbTi
F-43m
216
cubic
-43m
8,835.841659
false
[CIF] data_Re2TcBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93581670 _cell_length_b 3.92985288 _cell_length_c 6.52329201 _cell_angle_alpha 90.00000000 _cell_angle_beta 98.48957216 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re2TcBi _chemical_formula_sum 'Re2 Tc1 Bi1' _cell_volume 74.43670017 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.48151487 0.00000000 3.22590733 1 Re Re1 1 0.54881590 1.96492644 5.24747732 1 Re Re2 1 1.42397106 1.96492644 1.20433734 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiRe2Tc
P2/m
10
monoclinic
2/m
15,176.192936
false
[CIF] data_LiPdPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.48553723 _cell_length_b 3.48553723 _cell_length_c 7.27576897 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiPdPb2 _chemical_formula_sum 'Li1 Pd1 Pb2' _cell_volume 88.39309736 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 1.74276862 1.74276862 1.96006473 1 Pb Pb2 1 1.74276862 1.74276862 5.31570424 1 Pd Pd3 1 0.00000000 0.00000000 3.63788448 1 [/CIF]
LiPb2Pd
P4/mmm
123
tetragonal
4/mmm
9,914.436586
false
[CIF] data_TaBCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.97697602 _cell_length_b 3.77082159 _cell_length_c 5.56972489 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaBCl2 _chemical_formula_sum 'Ta1 B1 Cl2' _cell_volume 62.52375686 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 0.00000000 1 Cl Cl1 1 1.48848801 1.88541080 1.44531971 1 Cl Cl2 1 1.48848801 1.88541080 4.12440518 1 Ta Ta3 1 0.00000000 0.00000000 2.78486244 1 [/CIF]
BCl2Ta
Pmmm
47
orthorhombic
mmm
6,975.993071
false
[CIF] data_TaGeTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29013326 _cell_length_b 5.29013326 _cell_length_c 5.29013326 _cell_angle_alpha 140.82830456 _cell_angle_beta 140.82830456 _cell_angle_gamma 56.59776929 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaGeTe _chemical_formula_sum 'Ta1 Ge1 Te1' _cell_volume 58.59215595 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.14033093 1 Ta Ta1 1 0.00000000 0.00000000 3.23518530 1 Te Te2 1 -0.00000000 0.00000000 6.25604927 1 [/CIF]
GeTaTe
I4mm
107
tetragonal
4mm
10,803.107621
false
[CIF] data_SnGeAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63923620 _cell_length_b 4.63923620 _cell_length_c 4.63923620 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnGeAu _chemical_formula_sum 'Sn1 Ge1 Au1' _cell_volume 70.60321168 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.64021769 1.64021769 1.64021769 1 Ge Ge1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 3.28043538 3.28043538 3.28043538 1 [/CIF]
AuGeSn
F-43m
216
cubic
-43m
9,132.939107
false
[CIF] data_ZnMoP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.13450244 _cell_length_b 3.14037663 _cell_length_c 6.06588155 _cell_angle_alpha 90.00000000 _cell_angle_beta 99.18964146 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnMoP2 _chemical_formula_sum 'Zn1 Mo1 P2' _cell_volume 58.94325167 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.48436889 0.00000000 2.99401344 1 P P1 1 1.06996712 1.57018832 4.30723978 1 P P2 1 1.09579753 1.57018832 1.68078711 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
MoP2Zn
P2/m
10
monoclinic
2/m
6,290.417413
false
[CIF] data_MoCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.53447270 _cell_length_b 9.53447270 _cell_length_c 9.53447270 _cell_angle_alpha 19.02749032 _cell_angle_beta 19.02749032 _cell_angle_gamma 19.02749032 _symmetry_Int_Tables_number 1 _chemical_formula_structural MoCl3 _chemical_formula_sum 'Mo1 Cl3' _cell_volume 80.51672767 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 21.71093866 1 Cl Cl1 1 0.00000000 -0.00000000 -0.00000000 1 Cl Cl2 1 0.00000000 0.00000000 6.36670512 1 Mo Mo3 1 -0.00000000 -0.00000000 14.03882189 1 [/CIF]
Cl3Mo
R-3m
166
trigonal
-3m
4,172.531759
false
[CIF] data_MgVCuPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36444776 _cell_length_b 4.36444776 _cell_length_c 4.36444776 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgVCuPd _chemical_formula_sum 'Mg1 V1 Cu1 Pd1' _cell_volume 58.78586353 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.54306531 1.54306531 1.54306531 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 4.62919592 4.62919592 4.62919592 1 V V3 1 3.08613061 3.08613061 3.08613061 1 [/CIF]
CuMgPdV
F-43m
216
cubic
-43m
6,926.579137
false
[CIF] data_LiSbRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31359004 _cell_length_b 4.31359004 _cell_length_c 4.31359004 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiSbRu _chemical_formula_sum 'Li1 Sb1 Ru1' _cell_volume 56.75467042 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ru Ru1 1 3.05016877 3.05016877 3.05016877 1 Sb Sb2 1 1.52508438 1.52508438 1.52508439 1 [/CIF]
LiRuSb
F-43m
216
cubic
-43m
6,722.684125
false
[CIF] data_Zr2TiC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31910309 _cell_length_b 5.31910309 _cell_length_c 5.31910309 _cell_angle_alpha 138.53752814 _cell_angle_beta 138.53752814 _cell_angle_gamma 60.08073872 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2TiC _chemical_formula_sum 'Zr2 Ti1 C1' _cell_volume 65.29774507 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ti Ti1 1 1.88288147 0.00000000 2.30230170 1 Zr Zr2 1 0.00000000 -0.00000000 4.60460340 1 Zr Zr3 1 0.00000000 1.88288147 2.30230170 1 [/CIF]
CTiZr2
I-4m2
119
tetragonal
-42m
6,162.407159
false
[CIF] data_TlMoIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.47741873 _cell_length_b 6.47741873 _cell_length_c 6.47741873 _cell_angle_alpha 153.71619541 _cell_angle_beta 153.71619541 _cell_angle_gamma 37.51224043 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlMoIr _chemical_formula_sum 'Tl1 Mo1 Ir1' _cell_volume 53.21202289 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 -0.00000000 12.05859688 1 Mo Mo1 1 0.00000000 -0.00000000 4.29738848 1 Tl Tl2 1 0.00000000 0.00000000 8.17777672 1 [/CIF]
IrMoTl
I4mm
107
tetragonal
4mm
15,370.89975
false
[CIF] data_ZnMo2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.89568405 _cell_length_b 2.89568405 _cell_length_c 8.93006552 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 106.54325495 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnMo2Pb _chemical_formula_sum 'Zn1 Mo2 Pb1' _cell_volume 71.77888441 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 1.73168308 0.00000000 2.06066593 1 Mo Mo1 1 1.73168308 0.00000000 6.86939959 1 Pb Pb2 1 0.00000000 0.00000000 4.46503276 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mo2PbZn
Cmmm
65
orthorhombic
mmm
10,745.784123
false
[CIF] data_LaTlRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96842156 _cell_length_b 4.96842156 _cell_length_c 4.96842156 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTlRu _chemical_formula_sum 'La1 Tl1 Ru1' _cell_volume 86.72420281 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 5.26980687 5.26980687 5.26980687 1 Ru Ru1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 3.51320458 3.51320458 3.51320458 1 [/CIF]
LaRuTl
F-43m
216
cubic
-43m
8,508.294954
false
[CIF] data_LiZrCuMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45706977 _cell_length_b 4.45706977 _cell_length_c 4.45706977 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiZrCuMo _chemical_formula_sum 'Li1 Zr1 Cu1 Mo1' _cell_volume 62.60850019 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 3.15162426 3.15162426 3.15162426 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Mo Mo2 1 4.72743639 4.72743639 4.72743639 1 Zr Zr3 1 1.57581213 1.57581213 1.57581213 1 [/CIF]
CuLiMoZr
F-43m
216
cubic
-43m
6,834.100171
false
[CIF] data_In2BiBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61013579 _cell_length_b 3.61013579 _cell_length_c 9.25004514 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2BiBr _chemical_formula_sum 'In2 Bi1 Br1' _cell_volume 120.55658212 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.62502257 1 Br Br1 1 0.00000000 0.00000000 0.00000000 1 In In2 1 1.80506789 1.80506789 2.19125901 1 In In3 1 1.80506789 1.80506789 7.05878613 1 [/CIF]
BiBrIn2
P4/mmm
123
tetragonal
4/mmm
7,142.178197
false
[CIF] data_BaCaNbHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44520204 _cell_length_b 5.44520204 _cell_length_c 5.44520204 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCaNbHg _chemical_formula_sum 'Ba1 Ca1 Nb1 Hg1' _cell_volume 114.16342742 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.92516965 1.92516965 1.92516965 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 Hg Hg2 1 5.77550894 5.77550893 5.77550894 1 Nb Nb3 1 3.85033929 3.85033929 3.85033929 1 [/CIF]
BaCaHgNb
F-43m
216
cubic
-43m
6,849.392627
false
[CIF] data_Zr3CuHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25035074 _cell_length_b 5.25035074 _cell_length_c 5.25035074 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3CuHg _chemical_formula_sum 'Zr3 Cu1 Hg1' _cell_volume 144.73212875 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 2.62517537 2.62517537 2.62517537 1 Zr Zr2 1 2.62517537 0.00000000 2.62517537 1 Zr Zr3 1 2.62517537 2.62517537 0.00000000 1 Zr Zr4 1 0.00000000 2.62517537 2.62517537 1 [/CIF]
CuHgZr3
Pm-3m
221
cubic
m-3m
6,170.372826
false
[CIF] data_HfMn2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97298128 _cell_length_b 4.97298128 _cell_length_c 4.97298128 _cell_angle_alpha 140.16156962 _cell_angle_beta 131.90064610 _cell_angle_gamma 64.17047684 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMn2Ni _chemical_formula_sum 'Hf1 Mn2 Ni1' _cell_volume 57.86956272 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 0.00000000 0.00000000 4.21340216 1 Mn Mn1 1 1.69426923 0.00000000 1.99435939 1 Mn Mn2 1 -0.00000000 2.02663189 2.21904277 1 Ni Ni3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfMn2Ni
Immm
71
orthorhombic
mmm
9,958.703929
false
[CIF] data_KMgB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.49479527 _cell_length_b 3.49479527 _cell_length_c 8.22414062 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 126.02092398 _symmetry_Int_Tables_number 1 _chemical_formula_structural KMgB2 _chemical_formula_sum 'K1 Mg1 B2' _cell_volume 81.24120854 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 1.58603524 -0.00000000 7.44356770 1 B B1 1 0.00000000 0.00000000 7.21186553 1 K K2 1 1.58603524 -0.00000000 4.59633000 1 Mg Mg3 1 0.00000000 0.00000000 1.30858841 1 [/CIF]
B2KMg
Cmm2
35
orthorhombic
mm2
1,737.884441
false
[CIF] data_CaAsAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.84727008 _cell_length_b 5.84727008 _cell_length_c 5.84727008 _cell_angle_alpha 144.87825375 _cell_angle_beta 144.87825375 _cell_angle_gamma 50.51599105 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaAsAu _chemical_formula_sum 'Ca1 As1 Au1' _cell_volume 65.83895224 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.43369927 1 Au Au1 1 0.00000000 -0.00000000 3.60544765 1 Ca Ca2 1 0.00000000 0.00000000 7.11383453 1 [/CIF]
AsAuCa
I4mm
107
tetragonal
4mm
7,868.397069
false
[CIF] data_HfTl4Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.12981396 _cell_length_b 6.12981396 _cell_length_c 6.12981396 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTl4Ge _chemical_formula_sum 'Hf1 Tl4 Ge1' _cell_volume 162.86467022 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 2.16721651 2.16721651 2.16721651 1 Tl Tl2 1 3.25246159 3.25246159 5.41640445 1 Tl Tl3 1 3.25246159 5.41640445 3.25246159 1 Tl Tl4 1 5.41640445 3.25246159 3.25246159 1 Tl Tl5 1 5.41640445 5.41640445 5.41640445 1 [/CIF]
GeHfTl4
F-43m
216
cubic
-43m
10,895.898971
false
[CIF] data_Cu2AgBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93173098 _cell_length_b 4.93173098 _cell_length_c 4.93173098 _cell_angle_alpha 128.57878000 _cell_angle_beta 128.57878000 _cell_angle_gamma 75.68928524 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu2AgBi _chemical_formula_sum 'Cu2 Ag1 Bi1' _cell_volume 71.30808375 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Bi Bi1 1 0.00000000 0.00000000 3.89447561 1 Cu Cu2 1 -0.00000000 2.13951282 1.94723780 1 Cu Cu3 1 2.13951282 0.00000000 1.94723780 1 [/CIF]
AgBiCu2
I4/mmm
139
tetragonal
4/mmm
10,337.968302
false
[CIF] data_Pu2AgO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.87191917 _cell_length_b 6.87191917 _cell_length_c 6.87191917 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pu2AgO4 _chemical_formula_sum 'Pu4 Ag2 O8' _cell_volume 229.46641431 _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 Ag Ag0 1 0.00000000 0.00000000 0.00000000 1 Ag Ag1 1 2.42959032 2.42959032 2.42959032 1 O O2 1 3.79728640 3.79728640 3.79728640 1 O O3 1 3.79728640 5.92107488 5.92107488 1 O O4 1 5.92107488 3.79728640 5.92107488 1 O O5 1 6.22687673 6.22687673 8.35066520 1 O O6 1 5.92107488 5.92107488 3.79728640 1 O O7 1 6.22687673 8.35066520 6.22687673 1 O O8 1 8.35066520 8.35066520 8.35066520 1 O O9 1 8.35066520 6.22687673 6.22687673 1 Pu Pu10 1 3.64438548 3.64438548 6.07397580 1 Pu Pu11 1 3.64438548 6.07397580 3.64438548 1 Pu Pu12 1 6.07397580 3.64438548 3.64438548 1 Pu Pu13 1 6.07397580 6.07397580 6.07397580 1 [/CIF]
Ag2O8Pu4
Fd-3m
227
cubic
m-3m
9,550.311397
false
[CIF] data_CaTl2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41964843 _cell_length_b 4.41964843 _cell_length_c 4.81074217 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTl2B _chemical_formula_sum 'Ca1 Tl2 B1' _cell_volume 93.96963272 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ca Ca1 1 2.20982421 2.20982421 0.00000000 1 Tl Tl2 1 2.20982421 0.00000000 2.40537109 1 Tl Tl3 1 0.00000000 2.20982421 2.40537109 1 [/CIF]
BCaTl2
P4/mmm
123
tetragonal
4/mmm
8,122.582359
false
[CIF] data_NaZrCrFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56050274 _cell_length_b 4.56050274 _cell_length_c 4.56050274 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaZrCrFe _chemical_formula_sum 'Na1 Zr1 Cr1 Fe1' _cell_volume 67.06920584 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.83714361 4.83714362 4.83714362 1 Fe Fe1 1 3.22476241 3.22476241 3.22476241 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 1.61238120 1.61238120 1.61238120 1 [/CIF]
CrFeNaZr
F-43m
216
cubic
-43m
5,497.765789
false
[CIF] data_YFe2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49929625 _cell_length_b 4.49929625 _cell_length_c 4.49929625 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YFe2Os _chemical_formula_sum 'Y1 Fe2 Os1' _cell_volume 64.40487942 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.59074144 1.59074144 1.59074144 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 4.77222433 4.77222434 4.77222434 1 Y Y3 1 3.18148289 3.18148289 3.18148289 1 [/CIF]
Fe2OsY
F-43m
216
cubic
-43m
10,076.590438
false
[CIF] data_TiNbVSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61617697 _cell_length_b 4.61617697 _cell_length_c 4.61617697 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiNbVSn _chemical_formula_sum 'Ti1 Nb1 V1 Sn1' _cell_volume 69.55564026 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.63206502 1.63206502 1.63206502 1 Sn Sn1 1 3.26413004 3.26413004 3.26413004 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 4.89619506 4.89619506 4.89619506 1 [/CIF]
NbSnTiV
F-43m
216
cubic
-43m
7,410.93948
false
[CIF] data_K2NaCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.04623853 _cell_length_b 4.41608137 _cell_length_c 10.10091615 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2NaCr _chemical_formula_sum 'K2 Na1 Cr1' _cell_volume 180.48840801 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.02311927 2.20804068 7.03748586 1 K K1 1 0.00000000 0.00000000 9.44021553 1 K K2 1 2.02311927 2.20804068 3.04895245 1 Na Na3 1 0.00000000 0.00000000 5.72563654 1 [/CIF]
CrK2Na
Pmm2
25
orthorhombic
mm2
1,409.317514
false
[CIF] data_Ta2BeNb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11294413 _cell_length_b 5.11294413 _cell_length_c 5.11294413 _cell_angle_alpha 139.96725487 _cell_angle_beta 129.48995918 _cell_angle_gamma 66.32051180 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2BeNb _chemical_formula_sum 'Ta2 Be1 Nb1' _cell_volume 65.36352600 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 -0.00000000 4.27553261 1 Nb Nb1 1 -0.00000000 2.18142733 2.03789433 1 Ta Ta2 1 -0.00000000 0.00000000 8.55819751 1 Ta Ta3 1 1.75010275 -0.00000000 2.24945627 1 [/CIF]
BeNbTa2
Imm2
44
orthorhombic
mm2
11,783.051626
false
[CIF] data_CaMnPd4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34615139 _cell_length_b 5.34615139 _cell_length_c 5.34615139 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMnPd4 _chemical_formula_sum 'Ca1 Mn1 Pd4' _cell_volume 108.04601659 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mn Mn1 1 1.89014995 1.89014995 1.89014995 1 Pd Pd2 1 2.84044139 2.84044139 4.72015841 1 Pd Pd3 1 2.84044139 4.72015841 2.84044139 1 Pd Pd4 1 4.72015841 2.84044139 2.84044139 1 Pd Pd5 1 4.72015841 4.72015841 4.72015841 1 [/CIF]
CaMnPd4
F-43m
216
cubic
-43m
8,002.480349
false
[CIF] data_TiSi2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34685833 _cell_length_b 4.34685833 _cell_length_c 4.34685833 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiSi2Pt _chemical_formula_sum 'Ti1 Si2 Pt1' _cell_volume 58.07797425 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pt Pt0 1 3.07369300 3.07369300 3.07369300 1 Si Si1 1 1.53684650 1.53684650 1.53684650 1 Si Si2 1 4.61053950 4.61053950 4.61053950 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PtSi2Ti
Fm-3m
225
cubic
m-3m
8,552.360393
false
[CIF] data_HfZnW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29994081 _cell_length_b 5.29994081 _cell_length_c 5.29994081 _cell_angle_alpha 137.00307624 _cell_angle_beta 137.00307624 _cell_angle_gamma 62.43331715 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZnW2 _chemical_formula_sum 'Hf1 Zn1 W2' _cell_volume 68.39735717 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 0.00000000 0.00000000 4.53258151 1 W W1 1 -0.00000000 1.94230243 2.26629076 1 W W2 1 1.94230243 0.00000000 2.26629076 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfW2Zn
I4/mmm
139
tetragonal
4/mmm
14,847.103869
false
[CIF] data_LaIn2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61536239 _cell_length_b 3.61536239 _cell_length_c 9.68353122 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaIn2Br _chemical_formula_sum 'La1 In2 Br1' _cell_volume 126.57193759 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.68482300 1 In In1 1 1.80768119 1.80768119 0.40601720 1 In In2 1 0.00000000 0.00000000 2.58694636 1 La La3 1 1.80768119 1.80768119 4.84751036 1 [/CIF]
BrIn2La
P4mm
99
tetragonal
4mm
5,883.330714
false
[CIF] data_BaSr2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.79877039 _cell_length_b 3.79877039 _cell_length_c 9.74485950 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSr2W _chemical_formula_sum 'Ba1 Sr2 W1' _cell_volume 140.62471985 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.20214111 1 Sr Sr1 1 1.89938520 1.89938520 0.01821051 1 Sr Sr2 1 0.00000000 0.00000000 2.52151183 1 W W3 1 1.89938520 1.89938520 4.87542581 1 [/CIF]
BaSr2W
P4mm
99
tetragonal
4mm
5,861.723439
false
[CIF] data_BaAl2V _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65091545 _cell_length_b 4.65091545 _cell_length_c 6.56095164 _cell_angle_alpha 107.87952715 _cell_angle_beta 107.87952715 _cell_angle_gamma 52.95112452 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaAl2V _chemical_formula_sum 'Ba1 Al2 V1' _cell_volume 106.39855293 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.66152100 -0.00000000 0.59992726 1 Al Al1 1 0.41445198 -0.00000000 5.56303676 1 Ba Ba2 1 3.03798649 -0.00000000 3.08148201 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al2BaV
C2/m
12
monoclinic
2/m
3,780.455524
false
[CIF] data_La2MgCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.50498752 _cell_length_b 3.50498752 _cell_length_c 8.68800958 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.84960249 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2MgCo _chemical_formula_sum 'La2 Mg1 Co1' _cell_volume 106.67604675 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.34400479 1 La La1 1 2.43807591 0.00000000 6.01540816 1 La La2 1 2.43807591 0.00000000 2.67260142 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CoLa2Mg
Cmmm
65
orthorhombic
mmm
5,620.157588
false
[CIF] data_GaAg2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.92801777 _cell_length_b 2.92801777 _cell_length_c 8.80207162 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 102.17158301 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaAg2As _chemical_formula_sum 'Ga1 Ag2 As1' _cell_volume 73.76633819 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.83925202 0.00000000 0.02303317 1 Ag Ag1 1 0.00000000 0.00000000 6.63002754 1 As As2 1 1.83925202 0.00000000 4.38411559 1 Ga Ga3 1 0.00000000 0.00000000 2.16593113 1 [/CIF]
Ag2AsGa
Cmm2
35
orthorhombic
mm2
8,112.463545
false
[CIF] data_TlCr2FeO8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.81944100 _cell_length_b 5.55251100 _cell_length_c 8.87440800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlCr2FeO8 _chemical_formula_sum 'Tl4 Cr8 Fe4 O32' _cell_volume 730.23163107 _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 Tl Tl0 1 5.66578350 1.38812775 0.50273521 1 Tl Tl1 1 9.15365750 4.16438325 8.37167279 1 Tl Tl2 1 1.74393700 4.16438325 4.93993921 1 Tl Tl3 1 13.07550400 1.38812775 3.93446879 1 Cr Cr4 1 2.37761629 1.38812775 2.27575319 1 Cr Cr5 1 12.44182471 4.16438325 6.59865481 1 Cr Cr6 1 5.03210421 4.16438325 6.71295719 1 Cr Cr7 1 9.78733679 1.38812775 2.16145081 1 Cr Cr8 1 0.95000027 1.38812775 7.24563465 1 Cr Cr9 1 13.86944073 4.16438325 1.62877335 1 Cr Cr10 1 6.45972023 4.16438325 2.80843065 1 Cr Cr11 1 8.35972077 1.38812775 6.06597735 1 Fe Fe12 1 5.08563203 1.38812775 4.47632239 1 Fe Fe13 1 9.73380897 4.16438325 4.39808561 1 Fe Fe14 1 2.32408847 4.16438325 0.03911839 1 Fe Fe15 1 12.49535253 1.38812775 8.83528961 1 O O16 1 0.78811269 1.38812775 2.54778929 1 O O17 1 14.03132831 4.16438325 6.32661871 1 O O18 1 6.62160781 4.16438325 6.98499329 1 O O19 1 8.19783319 1.38812775 1.88941471 1 O O20 1 0.54534061 1.38812775 5.66257338 1 O O21 1 14.27410039 4.16438325 3.21183462 1 O O22 1 6.86437989 4.16438325 1.22536938 1 O O23 1 7.95506111 1.38812775 7.64903862 1 O O24 1 7.00162273 1.38812775 5.11062070 1 O O25 1 7.81781827 4.16438325 3.76378730 1 O O26 1 0.40809777 4.16438325 0.67341670 1 O O27 1 14.41134323 1.38812775 8.20099130 1 O O28 1 5.53602448 5.54583133 3.10440103 1 O O29 1 9.28341652 0.00667967 5.77000697 1 O O30 1 1.87369602 0.00667967 7.54160503 1 O O31 1 9.28341652 2.76957583 5.77000697 1 O O32 1 12.94574498 5.54583133 1.33280297 1 O O33 1 5.53602448 2.78293517 3.10440103 1 O O34 1 12.94574498 2.78293517 1.33280297 1 O O35 1 1.87369602 2.76957583 7.54160503 1 O O36 1 3.18364569 1.38812775 3.76652949 1 O O37 1 11.63579531 4.16438325 5.10787851 1 O O38 1 4.22607481 4.16438325 8.20373349 1 O O39 1 10.59336619 1.38812775 0.67067451 1 O O40 1 2.80240075 0.02427558 1.38998965 1 O O41 1 12.01704025 5.52823542 7.48441835 1 O O42 1 4.60731975 5.52823542 5.82719365 1 O O43 1 12.01704025 2.80053108 7.48441835 1 O O44 1 10.21212125 0.02427558 3.04721435 1 O O45 1 2.80240075 2.75197992 1.38998965 1 O O46 1 10.21212125 2.75197992 3.04721435 1 O O47 1 4.60731975 2.80053108 5.82719365 1 [/CIF]
Cr8Fe4O32Tl4
Pnma
62
orthorhombic
mmm
4,477.173348
true
[CIF] data_ScTc2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.43392812 _cell_length_b 9.43392812 _cell_length_c 9.43392812 _cell_angle_alpha 17.26549793 _cell_angle_beta 17.26549793 _cell_angle_gamma 17.26549793 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTc2Pt _chemical_formula_sum 'Sc1 Tc2 Pt1' _cell_volume 64.53707539 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pt Pt0 1 -0.00000000 -0.00000000 13.93672367 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 -0.00000000 -0.00000000 20.98224088 1 Tc Tc3 1 -0.00000000 0.00000000 6.89120646 1 [/CIF]
PtScTc2
R-3m
166
trigonal
-3m
11,265.940775
false
[CIF] data_Hf5Cd3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.08794553 _cell_length_b 3.21006716 _cell_length_c 7.68548133 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.89494065 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf5Cd3 _chemical_formula_sum 'Hf5 Cd3' _cell_volume 174.77044753 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.15552293 1.60503358 7.60607212 1 Cd Cd1 1 1.59043728 0.00000000 5.71442227 1 Cd Cd2 1 5.70891226 0.00000000 5.24407316 1 Hf Hf3 1 3.52137691 1.60503358 3.73733824 1 Hf Hf4 1 5.32605207 0.00000000 1.75667712 1 Hf Hf5 1 2.29323965 0.00000000 1.42596889 1 Hf Hf6 1 3.75875455 1.60503358 7.10826767 1 Hf Hf7 1 0.39727088 1.60503358 3.25314655 1 [/CIF]
Cd3Hf5
Pm
6
monoclinic
m
11,683.535117
false
[CIF] data_HfMg2Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.21866841 _cell_length_b 9.21866841 _cell_length_c 9.21866841 _cell_angle_alpha 19.82223536 _cell_angle_beta 19.82223536 _cell_angle_gamma 19.82223536 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMg2Co _chemical_formula_sum 'Hf1 Mg2 Co1' _cell_volume 78.79664020 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 13.67303286 1 Hf Hf1 1 -0.00000000 0.00000000 6.29878902 1 Mg Mg2 1 0.00000000 -0.00000000 27.07356679 1 Mg Mg3 1 -0.00000000 -0.00000000 20.71533373 1 [/CIF]
CoHfMg2
R3m
160
trigonal
3m
6,027.786125
false
[CIF] data_Nb2GaRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.87854909 _cell_length_b 2.87854909 _cell_length_c 7.86560836 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2GaRh _chemical_formula_sum 'Nb2 Ga1 Rh1' _cell_volume 65.17478375 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.69719039 1 Nb Nb1 1 1.43927454 1.43927454 7.70457151 1 Nb Nb2 1 0.00000000 0.00000000 2.17819036 1 Rh Rh3 1 1.43927454 1.43927454 4.08406864 1 [/CIF]
GaNb2Rh
P4mm
99
tetragonal
4mm
9,132.454012
false
[CIF] data_TaCdInGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91047071 _cell_length_b 4.91047071 _cell_length_c 4.91047071 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaCdInGa _chemical_formula_sum 'Ta1 Cd1 In1 Ga1' _cell_volume 83.72484991 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 1.73611357 1.73611357 1.73611357 1 Ga Ga1 1 0.00000000 0.00000000 0.00000000 1 In In2 1 5.20834071 5.20834071 5.20834071 1 Ta Ta3 1 3.47222714 3.47222714 3.47222714 1 [/CIF]
CdGaInTa
F-43m
216
cubic
-43m
9,478.325987
false
[CIF] data_KCu2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40150029 _cell_length_b 3.40150029 _cell_length_c 7.95275789 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCu2Hg _chemical_formula_sum 'K1 Cu2 Hg1' _cell_volume 92.01503292 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.70075014 1.70075014 0.81632897 1 Cu Cu1 1 0.00000000 0.00000000 1.43889877 1 Hg Hg2 1 1.70075014 1.70075014 3.54091256 1 K K3 1 0.00000000 0.00000000 6.13299662 1 [/CIF]
Cu2HgK
P4mm
99
tetragonal
4mm
6,619.059926
false
[CIF] data_CaCuHgGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88658288 _cell_length_b 4.88658288 _cell_length_c 4.88658288 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCuHgGe _chemical_formula_sum 'Ca1 Cu1 Hg1 Ge1' _cell_volume 82.50890225 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 5.18300384 5.18300384 5.18300384 1 Ge Ge2 1 3.45533589 3.45533589 3.45533589 1 Hg Hg3 1 1.72766795 1.72766795 1.72766794 1 [/CIF]
CaCuGeHg
F-43m
216
cubic
-43m
7,584.403286
false
[CIF] data_CuAs2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51112956 _cell_length_b 4.51112956 _cell_length_c 4.51112956 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuAs2P _chemical_formula_sum 'Cu1 As2 P1' _cell_volume 64.91437826 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 4.78477545 4.78477545 4.78477545 1 As As1 1 1.59492515 1.59492515 1.59492515 1 Cu Cu2 1 3.18985030 3.18985030 3.18985030 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As2CuP
Fm-3m
225
cubic
m-3m
6,250.914755
false
[CIF] data_ZrTiMnV _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43407745 _cell_length_b 4.43407745 _cell_length_c 4.43407745 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTiMnV _chemical_formula_sum 'Zr1 Ti1 Mn1 V1' _cell_volume 61.64456962 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.13536623 3.13536623 3.13536623 1 Ti Ti1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 1.56768311 1.56768311 1.56768312 1 Zr Zr3 1 4.70304934 4.70304934 4.70304935 1 [/CIF]
MnTiVZr
F-43m
216
cubic
-43m
6,598.848247
false
[CIF] data_TiSnPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.40623396 _cell_length_b 6.40623396 _cell_length_c 3.33595610 _cell_angle_alpha 103.97002975 _cell_angle_beta 103.97002975 _cell_angle_gamma 120.77872958 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiSnPb2 _chemical_formula_sum 'Ti1 Sn1 Pb2' _cell_volume 102.62822067 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb Pb0 1 0.76771173 2.78480025 1.45533259 1 Pb Pb1 1 0.76771173 -2.78480024 1.45533259 1 Sn Sn2 1 3.16534104 -0.00000000 0.00000000 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Pb2SnTi
C2/m
12
monoclinic
2/m
9,400.289696
false
[CIF] data_Ca2SbBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50090015 _cell_length_b 5.50090015 _cell_length_c 3.79363029 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2SbBr _chemical_formula_sum 'Ca2 Sb1 Br1' _cell_volume 114.79488245 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ca Ca1 1 0.00000000 2.75045007 1.89681514 1 Ca Ca2 1 2.75045007 0.00000000 1.89681514 1 Sb Sb3 1 2.75045007 2.75045007 0.00000000 1 [/CIF]
BrCa2Sb
P4/mmm
123
tetragonal
4/mmm
4,076.611988
false
[CIF] data_Au2C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36336853 _cell_length_b 5.36336853 _cell_length_c 6.10818688 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 35.95232564 _symmetry_Int_Tables_number 1 _chemical_formula_structural Au2C _chemical_formula_sum 'Au4 C2' _cell_volume 103.15931941 _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 Au Au0 1 6.57835284 0.82731681 4.58114016 1 Au Au1 1 3.62475852 -0.82731681 1.52704672 1 Au Au2 1 3.62475852 0.82731681 4.58114016 1 Au Au3 1 6.57835284 -0.82731681 1.52704672 1 C C4 1 5.10155568 -1.05359780 4.58114016 1 C C5 1 5.10155568 1.05359780 1.52704672 1 [/CIF]
C2Au4
Cmcm
63
orthorhombic
mmm
13,068.826078
false
[CIF] data_NaTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83622210 _cell_length_b 4.83622210 _cell_length_c 4.83622210 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTe _chemical_formula_sum 'Na1 Te1' _cell_volume 79.98410937 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 0.00000000 0.00000000 0.00000000 1 Te Te1 1 5.12958816 5.12958816 5.12958816 1 [/CIF]
NaTe
F-43m
216
cubic
-43m
3,126.373437
false
[CIF] data_CoAsBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.01833266 _cell_length_b 3.01833266 _cell_length_c 9.72644269 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoAsBr2 _chemical_formula_sum 'Co1 As1 Br2' _cell_volume 88.61112254 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.50916633 1.50916633 6.43241178 1 Br Br1 1 0.00000000 0.00000000 9.38508881 1 Br Br2 1 1.50916633 1.50916633 3.36519326 1 Co Co3 1 0.00000000 0.00000000 5.13341288 1 [/CIF]
AsBr2Co
P4mm
99
tetragonal
4mm
5,503.130189
false
[CIF] data_AlVCrMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29728639 _cell_length_b 4.29728639 _cell_length_c 4.29728639 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlVCrMo _chemical_formula_sum 'Al1 V1 Cr1 Mo1' _cell_volume 56.11356967 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.03864035 3.03864035 3.03864035 1 Mo Mo2 1 1.51932017 1.51932018 1.51932018 1 V V3 1 4.55796053 4.55796053 4.55796053 1 [/CIF]
AlCrMoV
F-43m
216
cubic
-43m
6,684.32139
false
[CIF] data_VBIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.86921441 _cell_length_b 3.86921441 _cell_length_c 3.35155365 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VBIr2 _chemical_formula_sum 'V1 B1 Ir2' _cell_volume 50.17550692 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 0.00000000 1.93460721 1.67577683 1 Ir Ir2 1 1.93460721 0.00000000 1.67577683 1 V V3 1 1.93460721 1.93460721 0.00000000 1 [/CIF]
BIr2V
P4/mmm
123
tetragonal
4/mmm
14,766.370282
false
[CIF] data_MnBr2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.33933669 _cell_length_b 3.33933669 _cell_length_c 9.52507912 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnBr2Cl _chemical_formula_sum 'Mn1 Br2 Cl1' _cell_volume 106.21577205 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.66966835 1.66966835 6.40817929 1 Br Br1 1 1.66966835 1.66966835 3.11689983 1 Cl Cl2 1 0.00000000 0.00000000 0.00000000 1 Mn Mn3 1 0.00000000 0.00000000 4.76253956 1 [/CIF]
Br2ClMn
P4/mmm
123
tetragonal
4/mmm
3,911.521619
false
[CIF] data_BeSn2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61580369 _cell_length_b 4.61580369 _cell_length_c 4.61580369 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeSn2B _chemical_formula_sum 'Be1 Sn2 B1' _cell_volume 69.53876815 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.26386609 3.26386609 3.26386609 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 1.63193305 1.63193305 1.63193305 1 Sn Sn3 1 4.89579914 4.89579914 4.89579914 1 [/CIF]
BBeSn2
Fm-3m
225
cubic
m-3m
6,142.794368
false
[CIF] data_CaIn2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42538652 _cell_length_b 5.42538652 _cell_length_c 5.42538652 _cell_angle_alpha 132.63646644 _cell_angle_beta 132.63646644 _cell_angle_gamma 69.22563591 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaIn2Os _chemical_formula_sum 'Ca1 In2 Os1' _cell_volume 84.81371772 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 In In1 1 2.17914103 -0.00000000 2.23257182 1 In In2 1 0.00000000 -0.00000000 4.46514363 1 Os Os3 1 -0.00000000 2.17914103 2.23257182 1 [/CIF]
CaIn2Os
I-4m2
119
tetragonal
-42m
9,005.087867
false
[CIF] data_Li3ZnC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.06559100 _cell_length_b 4.06559100 _cell_length_c 4.06559100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3ZnC _chemical_formula_sum 'Li3 Zn1 C1' _cell_volume 67.20027634 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Zn Zn0 1 2.03279550 2.03279550 2.03279550 1 C C1 1 0.00000000 0.00000000 0.00000000 1 Li Li2 1 0.00000000 2.03279550 0.00000000 1 Li Li3 1 0.00000000 0.00000000 2.03279550 1 Li Li4 1 2.03279550 0.00000000 0.00000000 1 [/CIF]
CLi3Zn
Pm-3m
221
cubic
m-3m
2,426.890105
false
[CIF] data_Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.77233530 _cell_length_b 2.77233530 _cell_length_c 2.77233530 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re _chemical_formula_sum Re1 _cell_volume 15.06684313 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Re Re0 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Re
Fm-3m
225
cubic
m-3m
20,522.148893
false
[CIF] data_Rb2NaSbCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.67071416 _cell_length_b 7.67071416 _cell_length_c 7.67071416 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb2NaSbCl6 _chemical_formula_sum 'Rb2 Na1 Sb1 Cl6' _cell_volume 319.14820132 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Rb Rb0 1 2.71200700 2.71200700 2.71200700 1 Rb Rb1 1 8.13602100 8.13602100 8.13602100 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Sb Sb3 1 5.42401400 5.42401400 5.42401400 1 Cl Cl4 1 8.08246429 5.42401400 5.42401400 1 Cl Cl5 1 5.42401400 5.42401400 8.08246429 1 Cl Cl6 1 2.76556371 5.42401400 5.42401400 1 Cl Cl7 1 5.42401400 8.08246429 5.42401400 1 Cl Cl8 1 5.42401400 2.76556371 5.42401400 1 Cl Cl9 1 5.42401400 5.42401400 2.76556371 1 [/CIF]
Cl6NaRb2Sb
Fm-3m
225
cubic
m-3m
2,749.300902
false
[CIF] data_LaCrFeW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52931035 _cell_length_b 4.52931035 _cell_length_c 4.52931035 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCrFeW _chemical_formula_sum 'La1 Cr1 Fe1 W1' _cell_volume 65.70240096 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Fe Fe1 1 4.80405909 4.80405909 4.80405909 1 La La2 1 3.20270606 3.20270606 3.20270606 1 W W3 1 1.60135303 1.60135303 1.60135303 1 [/CIF]
CrFeLaW
F-43m
216
cubic
-43m
10,882.491516
false
[CIF] data_LiCeTl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28664142 _cell_length_b 5.28664142 _cell_length_c 5.28664142 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCeTl2 _chemical_formula_sum 'Li1 Ce1 Tl2' _cell_volume 104.47793152 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ce Ce1 1 3.73822000 3.73822000 3.73822000 1 Tl Tl2 1 5.60733000 5.60733000 5.60733000 1 Tl Tl3 1 1.86911000 1.86911000 1.86911000 1 [/CIF]
CeLiTl2
Fm-3m
225
cubic
m-3m
8,834.083797
false
[CIF] data_Sr2ZrCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44276527 _cell_length_b 5.44276527 _cell_length_c 3.81401706 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2ZrCo _chemical_formula_sum 'Sr2 Zr1 Co1' _cell_volume 112.98527347 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sr Sr1 1 0.00000000 2.72138264 1.90700853 1 Sr Sr2 1 2.72138264 0.00000000 1.90700853 1 Zr Zr3 1 2.72138264 2.72138264 0.00000000 1 [/CIF]
CoSr2Zr
P4/mmm
123
tetragonal
4/mmm
4,782.346742
false
[CIF] data_MnFeB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.55879286 _cell_length_b 3.55879286 _cell_length_c 3.55879286 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnFeB2 _chemical_formula_sum 'Mn1 Fe1 B2' _cell_volume 31.87081245 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.77466985 3.77466985 3.77466985 1 B B1 1 1.25822328 1.25822328 1.25822328 1 Fe Fe2 1 2.51644657 2.51644657 2.51644657 1 Mn Mn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
B2FeMn
Fm-3m
225
cubic
m-3m
6,898.599493
false
[CIF] data_Li2MgZr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84355940 _cell_length_b 4.84355940 _cell_length_c 4.84355940 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2MgZr _chemical_formula_sum 'Li2 Mg1 Zr1' _cell_volume 80.34870729 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.71245685 1.71245685 1.71245685 1 Mg Mg2 1 3.42491370 3.42491370 3.42491370 1 Zr Zr3 1 5.13737055 5.13737055 5.13737055 1 [/CIF]
Li2MgZr
F-43m
216
cubic
-43m
2,674.492576
false
[CIF] data_TlSi2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59996173 _cell_length_b 4.59996173 _cell_length_c 4.59996173 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlSi2Ir _chemical_formula_sum 'Tl1 Si2 Ir1' _cell_volume 68.82522768 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 0.00000000 1 Si Si1 1 1.62633207 1.62633207 1.62633206 1 Si Si2 1 4.87899620 4.87899620 4.87899620 1 Tl Tl3 1 3.25266413 3.25266413 3.25266413 1 [/CIF]
IrSi2Tl
Fm-3m
225
cubic
m-3m
10,923.965779
false
[CIF] data_ScTlSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98039845 _cell_length_b 4.98039845 _cell_length_c 3.25079468 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 98.33178881 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTlSi2 _chemical_formula_sum 'Sc1 Tl1 Si2' _cell_volume 79.78286296 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.62826929 1.88409960 1.62539734 1 Si Si2 1 1.62826929 -1.88409960 1.62539734 1 Tl Tl3 1 3.25653858 -0.00000000 0.00000000 1 [/CIF]
ScSi2Tl
Cmmm
65
orthorhombic
mmm
6,358.654271
false
[CIF] data_GeTeRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51909621 _cell_length_b 4.51909621 _cell_length_c 3.29931553 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeTeRh2 _chemical_formula_sum 'Ge1 Te1 Rh2' _cell_volume 67.37938243 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 0.00000000 2.25954810 1.64965776 1 Rh Rh2 1 2.25954810 0.00000000 1.64965776 1 Te Te3 1 2.25954810 2.25954810 0.00000000 1 [/CIF]
GeRh2Te
P4/mmm
123
tetragonal
4/mmm
10,006.971335
false
[CIF] data_Zn2RhSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.62055943 _cell_length_b 8.62055943 _cell_length_c 8.62055943 _cell_angle_alpha 20.04609641 _cell_angle_beta 20.04609641 _cell_angle_gamma 20.04609641 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2RhSe _chemical_formula_sum 'Zn2 Rh1 Se1' _cell_volume 65.85130502 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 12.66701883 1 Se Se1 1 -0.00000000 -0.00000000 -0.00000000 1 Zn Zn2 1 0.00000000 -0.00000000 6.14050635 1 Zn Zn3 1 0.00000000 0.00000000 19.19353130 1 [/CIF]
RhSeZn2
R-3m
166
trigonal
-3m
7,883.319187
false
[CIF] data_IrRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66949550 _cell_length_b 4.66949550 _cell_length_c 4.66949550 _cell_angle_alpha 33.79813565 _cell_angle_beta 33.79813565 _cell_angle_gamma 33.79813565 _symmetry_Int_Tables_number 1 _chemical_formula_structural IrRu _chemical_formula_sum 'Ir1 Ru1' _cell_volume 28.07336216 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 -0.00000000 6.59788950 1 Ru Ru1 1 -0.00000000 -0.00000000 0.00000000 1 [/CIF]
IrRu
R-3m
166
trigonal
-3m
17,347.923753
false
[CIF] data_LiMgInIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56341767 _cell_length_b 4.56341767 _cell_length_c 4.56341767 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMgInIr _chemical_formula_sum 'Li1 Mg1 In1 Ir1' _cell_volume 67.19789384 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.22682358 3.22682358 3.22682358 1 Ir Ir1 1 1.61341179 1.61341179 1.61341179 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Mg Mg3 1 4.84023537 4.84023537 4.84023537 1 [/CIF]
InIrLiMg
F-43m
216
cubic
-43m
8,359.321757
false
[CIF] data_HfSn5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23112529 _cell_length_b 8.84232678 _cell_length_c 8.84232678 _cell_angle_alpha 22.17343086 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfSn5 _chemical_formula_sum 'Hf1 Sn5' _cell_volume 154.36301772 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 2.61556265 0.00000000 17.33941075 1 Sn Sn1 1 2.61556265 0.00000000 11.42509338 1 Sn Sn2 1 2.61556265 -0.00000000 6.03929156 1 Sn Sn3 1 0.00000000 0.00000000 9.43574227 1 Sn Sn4 1 0.00000000 -0.00000000 3.96087122 1 Sn Sn5 1 0.00000000 0.00000000 15.43315976 1 [/CIF]
HfSn5
Amm2
38
orthorhombic
mm2
8,305.114787
false
[CIF] data_BeSn2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39379994 _cell_length_b 4.39379994 _cell_length_c 3.70038481 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeSn2Ir _chemical_formula_sum 'Be1 Sn2 Ir1' _cell_volume 71.43769722 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Ir Ir1 1 2.19689997 2.19689997 0.00000000 1 Sn Sn2 1 2.19689997 0.00000000 1.85019241 1 Sn Sn3 1 0.00000000 2.19689997 1.85019241 1 [/CIF]
BeIrSn2
P4/mmm
123
tetragonal
4/mmm
10,196.214766
false
[CIF] data_ZrBRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41475083 _cell_length_b 5.41475083 _cell_length_c 5.41475083 _cell_angle_alpha 149.33767270 _cell_angle_beta 149.33767270 _cell_angle_gamma 43.91450490 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrBRh _chemical_formula_sum 'Zr1 B1 Rh1' _cell_volume 41.17249715 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 9.77504344 1 Rh Rh1 1 0.00000000 -0.00000000 3.76012017 1 Zr Zr2 1 0.00000000 0.00000000 6.55276233 1 [/CIF]
BRhZr
I4mm
107
tetragonal
4mm
8,265.510478
false
[CIF] data_Ti2CuSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.49721910 _cell_length_b 3.49721910 _cell_length_c 5.56591124 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2CuSb _chemical_formula_sum 'Ti2 Cu1 Sb1' _cell_volume 68.07410804 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sb Sb1 1 0.00000000 0.00000000 2.78295562 1 Ti Ti2 1 1.74860955 1.74860955 4.22066333 1 Ti Ti3 1 1.74860955 1.74860955 1.34524791 1 [/CIF]
CuSbTi2
P4/mmm
123
tetragonal
4/mmm
6,855.439061
false
[CIF] data_SrYVGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19096317 _cell_length_b 5.19096317 _cell_length_c 5.19096317 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrYVGa _chemical_formula_sum 'Sr1 Y1 V1 Ga1' _cell_volume 98.90741362 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.50584789 5.50584789 5.50584789 1 Sr Sr1 1 3.67056526 3.67056526 3.67056526 1 V V2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 1.83528263 1.83528263 1.83528263 1 [/CIF]
GaSrVY
F-43m
216
cubic
-43m
4,989.476201
false
[CIF] data_CaCr2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.81383502 _cell_length_b 3.79802461 _cell_length_c 6.44895071 _cell_angle_alpha 90.00000000 _cell_angle_beta 101.35102018 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCr2Os _chemical_formula_sum 'Ca1 Cr2 Os1' _cell_volume 67.57194021 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.56264228 0.00000000 4.74126211 1 Cr Cr1 1 0.17515995 1.89901231 0.52399126 1 Cr Cr2 1 0.95655532 0.00000000 1.53037248 1 Os Os3 1 2.02939578 1.89901231 2.68858594 1 [/CIF]
CaCr2Os
Pm
6
monoclinic
m
8,215.222774
false