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_NbGaNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22752723 _cell_length_b 4.22752723 _cell_length_c 4.22752723 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbGaNi2 _chemical_formula_sum 'Nb1 Ga1 Ni2' _cell_volume 53.42496449 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 -0.00000000 -0.00000000 0.00000000 1 Nb Nb1 1 2.98931317 2.98931317 2.98931317 1 Ni Ni2 1 1.49465658 1.49465659 1.49465659 1 Ni Ni3 1 4.48396976 4.48396976 4.48396976 1 [/CIF]
GaNbNi2
Fm-3m
225
cubic
m-3m
8,703.380725
false
[CIF] data_HfZn2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83615972 _cell_length_b 4.83615972 _cell_length_c 4.83615972 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZn2Cl _chemical_formula_sum 'Hf1 Zn2 Cl1' _cell_volume 79.98101433 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 3.41968133 3.41968133 3.41968133 1 Zn Zn2 1 1.70984066 1.70984066 1.70984067 1 Zn Zn3 1 5.12952200 5.12952200 5.12952200 1 [/CIF]
ClHfZn2
Fm-3m
225
cubic
m-3m
7,156.608386
false
[CIF] data_Zr2ReCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.66268469 _cell_length_b 3.66268469 _cell_length_c 7.47457642 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2ReCl _chemical_formula_sum 'Zr2 Re1 Cl1' _cell_volume 100.27337962 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.00066721 1 Re Re1 1 1.83134234 1.83134234 6.56777665 1 Zr Zr2 1 0.00000000 0.00000000 7.46763575 1 Zr Zr3 1 1.83134234 1.83134234 1.65036143 1 [/CIF]
ClReZr2
P4mm
99
tetragonal
4mm
6,692.076438
false
[CIF] data_LiInTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.61187095 _cell_length_b 5.61187095 _cell_length_c 5.61187095 _cell_angle_alpha 134.41197861 _cell_angle_beta 116.67544153 _cell_angle_gamma 81.44557927 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiInTe2 _chemical_formula_sum 'Li1 In1 Te2' _cell_volume 108.95513713 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.25309614 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 0.00000000 2.94573506 2.32910501 1 Te Te3 1 2.17414666 -0.00000000 1.92399113 1 [/CIF]
InLiTe2
Immm
71
orthorhombic
mmm
5,745.072353
false
[CIF] data_Na2YRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.07844372 _cell_length_b 3.07844372 _cell_length_c 11.23848091 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 115.71318339 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2YRh _chemical_formula_sum 'Na2 Y1 Rh1' _cell_volume 95.95858992 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.63785588 0.00000000 3.25981377 1 Na Na1 1 1.63785588 0.00000000 7.97866714 1 Rh Rh2 1 0.00000000 0.00000000 5.61924046 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Na2RhY
Cmmm
65
orthorhombic
mmm
4,114.91103
false
[CIF] data_Ga2SiTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.13363198 _cell_length_b 4.53194814 _cell_length_c 6.12713774 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2SiTe _chemical_formula_sum 'Ga2 Si1 Te1' _cell_volume 87.01428697 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.56681599 2.26597407 4.76821506 1 Ga Ga1 1 1.56681599 2.26597407 1.35892268 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 0.00000000 0.00000000 3.06356887 1 [/CIF]
Ga2SiTe
Pmmm
47
orthorhombic
mmm
5,632.148497
false
[CIF] data_Mg5Si3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.97899005 _cell_length_b 7.97899005 _cell_length_c 7.97899005 _cell_angle_alpha 96.36221447 _cell_angle_beta 96.36221447 _cell_angle_gamma 141.11184267 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg5Si3 _chemical_formula_sum 'Mg10 Si6' _cell_volume 300.72048690 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 -0.00000000 5.32021701 1.32804972 1 Mg Mg1 1 5.32021701 -0.00000000 1.32804972 1 Mg Mg2 1 6.18337726 2.99722358 -0.00000000 1 Mg Mg3 1 -0.86316025 2.32299343 2.65609944 1 Mg Mg4 1 0.86316025 2.32299343 0.00000000 1 Mg Mg5 1 4.45705675 2.99722358 2.65609944 1 Mg Mg6 1 8.31744058 0.86316025 -0.00000000 1 Mg Mg7 1 -2.99722358 4.45705675 2.65609944 1 Mg Mg8 1 2.32299343 0.86316025 2.65609944 1 Mg Mg9 1 2.99722358 4.45705675 0.00000000 1 Si Si10 1 0.00000000 0.00000000 1.32804972 1 Si Si11 1 0.00000000 0.00000000 3.98414916 1 Si Si12 1 1.70014318 3.62007383 2.65609944 1 Si Si13 1 3.62007383 1.70014318 -0.00000000 1 Si Si14 1 1.70014318 7.02036018 0.00000000 1 Si Si15 1 3.62007383 -1.70014318 2.65609944 1 [/CIF]
Mg10Si6
I4/mcm
140
tetragonal
4/mmm
2,272.613182
false
[CIF] data_MnTeRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.97703737 _cell_length_b 4.56033896 _cell_length_c 4.54431356 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.17752242 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnTeRu2 _chemical_formula_sum 'Mn1 Te1 Ru2' _cell_volume 61.68193320 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 0.00000000 0.00000000 0.00000000 1 Ru Ru1 1 0.55303959 2.28016948 3.43490640 1 Ru Ru2 1 2.33061124 2.28016948 1.10844750 1 Te Te3 1 1.44182541 0.00000000 2.27167695 1 [/CIF]
MnRu2Te
P2/m
10
monoclinic
2/m
10,355.916047
false
[CIF] data_SrTaO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.24773784 _cell_length_b 6.24773784 _cell_length_c 6.24773784 _cell_angle_alpha 53.85912442 _cell_angle_beta 53.85912442 _cell_angle_gamma 53.85912442 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTaO3 _chemical_formula_sum 'Sr2 Ta2 O6' _cell_volume 147.69845951 _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 O O0 1 -0.64509648 -1.69790113 9.52678741 1 O O1 1 -1.14787727 1.40762050 9.52678741 1 O O2 1 1.79297375 0.29028062 9.52678741 1 O O3 1 -1.79297375 -0.29028062 6.44915083 1 O O4 1 1.14787727 -1.40762050 6.44915083 1 O O5 1 0.64509648 1.69790113 6.44915083 1 Sr Sr6 1 0.00000000 0.00000000 13.80178734 1 Sr Sr7 1 -0.00000000 -0.00000000 2.17415090 1 Ta Ta8 1 -0.00000000 0.00000000 10.48288666 1 Ta Ta9 1 -0.00000000 0.00000000 5.49305158 1 [/CIF]
O6Sr2Ta2
R-3
148
trigonal
-3
7,118.156251
false
[CIF] data_SrTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25072866 _cell_length_b 3.25072866 _cell_length_c 5.10339516 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTc _chemical_formula_sum 'Sr1 Tc1' _cell_volume 46.70369788 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sr Sr0 1 0.00000000 0.00000000 0.00000000 1 Tc Tc1 1 1.62536431 0.93840454 2.55169758 1 [/CIF]
SrTc
P-6m2
187
hexagonal
-6m2
6,631.929609
false
[CIF] data_FeBPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81338811 _cell_length_b 4.81338811 _cell_length_c 4.81338811 _cell_angle_alpha 146.46052111 _cell_angle_beta 126.12035861 _cell_angle_gamma 64.97657665 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeBPd2 _chemical_formula_sum 'Fe1 B1 Pd2' _cell_volume 49.18513932 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 -0.00000000 0.00000000 4.09939873 1 Fe Fe1 1 0.00000000 2.18072667 1.54920529 1 Pd Pd2 1 0.00000000 -0.00000000 0.01267563 1 Pd Pd3 1 1.38878835 0.00000000 2.45891828 1 [/CIF]
BFePd2
Imm2
44
orthorhombic
mm2
9,436.062059
false
[CIF] data_Li2NbNi3O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.87620782 _cell_length_b 5.87620782 _cell_length_c 9.63638900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2NbNi3O8 _chemical_formula_sum 'Li4 Nb2 Ni6 O16' _cell_volume 288.16368494 _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 Li Li0 1 2.93810391 1.69631508 3.79591817 1 Li Li1 1 0.00000000 0.00000000 4.74507358 1 Li Li2 1 0.00000000 0.00000000 9.56326808 1 Li Li3 1 -0.00000000 3.39263017 8.61411267 1 Nb Nb4 1 2.93810391 1.69631508 9.59905763 1 Nb Nb5 1 -0.00000000 3.39263017 4.78086313 1 Ni Ni6 1 2.93810391 3.37375697 6.89394015 1 Ni Ni7 1 1.48539663 0.85759414 6.89394015 1 Ni Ni8 1 4.39081120 0.85759414 6.89394015 1 Ni Ni9 1 -1.45270728 4.23135111 2.07574565 1 Ni Ni10 1 1.45270728 4.23135111 2.07574565 1 Ni Ni11 1 -0.00000000 1.71518829 2.07574565 1 O O12 1 2.93810391 3.42085007 0.89254162 1 O O13 1 1.61952107 2.45759924 8.11769409 1 O O14 1 2.93810391 1.69631508 5.95705186 1 O O15 1 0.00000000 0.00000000 7.73360690 1 O O16 1 0.00000000 0.00000000 2.91541240 1 O O17 1 1.44461281 0.83404759 0.89254162 1 O O18 1 4.25668675 2.45759924 8.11769409 1 O O19 1 2.93810391 0.17374677 8.11769409 1 O O20 1 -1.49349110 4.25489766 5.71073612 1 O O21 1 4.43159502 0.83404759 0.89254162 1 O O22 1 0.00000000 4.91519848 3.29949959 1 O O23 1 -1.31858284 2.63134601 3.29949959 1 O O24 1 -0.00000000 3.39263017 1.13885736 1 O O25 1 1.49349110 4.25489766 5.71073612 1 O O26 1 1.31858284 2.63134601 3.29949959 1 O O27 1 -0.00000000 1.66809519 5.71073612 1 [/CIF]
Li4Nb2Ni6O16
P6_3mc
186
hexagonal
6mm
4,735.193274
false
[CIF] data_K2NbTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20591738 _cell_length_b 3.20591738 _cell_length_c 11.73300485 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2NbTe _chemical_formula_sum 'K2 Nb1 Te1' _cell_volume 120.59072385 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 1.60295869 1.60295869 8.64672076 1 K K1 1 1.60295869 1.60295869 3.08628409 1 Nb Nb2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 0.00000000 0.00000000 5.86650243 1 [/CIF]
K2NbTe
P4/mmm
123
tetragonal
4/mmm
4,113.151922
false
[CIF] data_Zn2MoOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98837886 _cell_length_b 4.98837886 _cell_length_c 4.98837886 _cell_angle_alpha 143.38109321 _cell_angle_beta 127.86409373 _cell_angle_gamma 65.39177827 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2MoOs _chemical_formula_sum 'Zn2 Mo1 Os1' _cell_volume 57.68331697 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.21597420 1 Os Os1 1 -0.00000000 2.19207731 2.10517891 1 Zn Zn2 1 -0.00000000 -0.00000000 0.04093548 1 Zn Zn3 1 1.56709473 -0.00000000 2.03384729 1 [/CIF]
MoOsZn2
Imm2
44
orthorhombic
mm2
12,002.807747
false
[CIF] data_Li2BiAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.53362831 _cell_length_b 5.53362831 _cell_length_c 5.74358261 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 81.81959998 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2BiAu _chemical_formula_sum 'Li4 Bi2 Au2' _cell_volume 174.08495647 _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 Li Li0 1 2.69544373 -1.43650873 1.43589565 1 Li Li1 1 2.69544373 1.43650873 4.30768696 1 Li Li2 1 5.66854105 1.43650873 4.30768696 1 Li Li3 1 5.66854105 -1.43650873 1.43589565 1 Bi Bi4 1 4.18199239 1.18719483 1.43589565 1 Bi Bi5 1 4.18199239 -1.18719483 4.30768696 1 Au Au6 1 0.00000000 0.00000000 2.87179130 1 Au Au7 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2Bi2Li4
Cmcm
63
orthorhombic
mmm
8,009.220537
false
[CIF] data_ReSnPdPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85394953 _cell_length_b 4.85394953 _cell_length_c 4.85394953 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReSnPdPb _chemical_formula_sum 'Re1 Sn1 Pd1 Pb1' _cell_volume 80.86689571 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.14839095 5.14839095 5.14839095 1 Pd Pd1 1 0.00000000 -0.00000000 0.00000000 1 Re Re2 1 1.71613032 1.71613032 1.71613032 1 Sn Sn3 1 3.43226063 3.43226063 3.43226063 1 [/CIF]
PbPdReSn
F-43m
216
cubic
-43m
12,701.178197
false
[CIF] data_Zr2NbAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.44584571 _cell_length_b 3.44584571 _cell_length_c 6.90620124 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2NbAg _chemical_formula_sum 'Zr2 Nb1 Ag1' _cell_volume 82.00321571 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.45310062 1 Nb Nb1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 1.72292285 1.72292285 1.63395818 1 Zr Zr3 1 1.72292285 1.72292285 5.27224306 1 [/CIF]
AgNbZr2
P4/mmm
123
tetragonal
4/mmm
7,760.173719
false
[CIF] data_ScSb2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05275748 _cell_length_b 4.24018417 _cell_length_c 6.29250467 _cell_angle_alpha 90.00000000 _cell_angle_beta 97.31124150 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScSb2Te _chemical_formula_sum 'Sc1 Sb2 Te1' _cell_volume 107.25397974 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sb Sb0 1 1.28725378 2.12009209 4.80783877 1 Sb Sb1 1 1.96472449 2.12009209 1.43350464 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 -0.40038961 0.00000000 3.12067171 1 [/CIF]
Sb2ScTe
P2/m
10
monoclinic
2/m
6,441.815103
false
[CIF] data_AlCd4Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.62739184 _cell_length_b 5.62739184 _cell_length_c 5.62739184 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCd4Mo _chemical_formula_sum 'Al1 Cd4 Mo1' _cell_volume 126.01042360 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cd Cd1 1 4.97136894 4.97136894 2.98696492 1 Cd Cd2 1 4.97136894 2.98696492 4.97136894 1 Cd Cd3 1 2.98696492 4.97136894 4.97136894 1 Cd Cd4 1 2.98696492 2.98696492 2.98696492 1 Mo Mo5 1 5.96875039 5.96875039 5.96875039 1 [/CIF]
AlCd4Mo
F-43m
216
cubic
-43m
7,545.412742
false
[CIF] data_Be2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38684003 _cell_length_b 4.38684003 _cell_length_c 4.38684003 _cell_angle_alpha 142.33101628 _cell_angle_beta 142.33101628 _cell_angle_gamma 54.33049425 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2Pd _chemical_formula_sum 'Be2 Pd1' _cell_volume 31.31254721 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.53464902 1 Be Be1 1 0.00000000 -0.00000000 5.27123678 1 Pd Pd2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Be2Pd
I4/mmm
139
tetragonal
4/mmm
6,599.51702
false
[CIF] data_ReSbTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20386771 _cell_length_b 3.20386771 _cell_length_c 9.54296056 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReSbTe2 _chemical_formula_sum 'Re1 Sb1 Te2' _cell_volume 97.95627907 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.77148028 1 Sb Sb1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 1.60193385 1.60193385 3.06083780 1 Te Te3 1 1.60193385 1.60193385 6.48212276 1 [/CIF]
ReSbTe2
P4/mmm
123
tetragonal
4/mmm
9,546.716284
false
[CIF] data_ScCrGaRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45342259 _cell_length_b 4.45342259 _cell_length_c 4.45342259 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCrGaRh _chemical_formula_sum 'Sc1 Cr1 Ga1 Rh1' _cell_volume 62.45493005 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.72356797 4.72356797 4.72356797 1 Rh Rh1 1 3.14904531 3.14904531 3.14904531 1 Ga Ga2 1 1.57452266 1.57452266 1.57452266 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CrGaRhSc
F-43m
216
cubic
-43m
7,167.552208
false
[CIF] data_SrAl4Tl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.80953344 _cell_length_b 5.80953344 _cell_length_c 5.80953344 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrAl4Tl _chemical_formula_sum 'Sr1 Al4 Tl1' _cell_volume 138.64645492 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 3.08208540 3.08208540 5.13383558 1 Al Al1 1 3.08208540 5.13383558 3.08208540 1 Al Al2 1 5.13383558 3.08208540 3.08208540 1 Al Al3 1 5.13383558 5.13383558 5.13383558 1 Sr Sr4 1 0.00000000 0.00000000 0.00000000 1 Tl Tl5 1 2.05398024 2.05398024 2.05398024 1 [/CIF]
Al4SrTl
F-43m
216
cubic
-43m
4,789.869913
false
[CIF] data_Fe2AgOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31997840 _cell_length_b 4.31997840 _cell_length_c 4.31997840 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2AgOs _chemical_formula_sum 'Fe2 Ag1 Os1' _cell_volume 57.00720226 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.05468602 3.05468602 3.05468602 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Fe Fe2 1 1.52734301 1.52734301 1.52734301 1 Os Os3 1 4.58202903 4.58202903 4.58202903 1 [/CIF]
AgFe2Os
F-43m
216
cubic
-43m
11,936.549913
false
[CIF] data_ScTaAgAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72430931 _cell_length_b 4.72430931 _cell_length_c 4.72430931 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTaAgAu _chemical_formula_sum 'Sc1 Ta1 Ag1 Au1' _cell_volume 74.55898280 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.34059115 3.34059115 3.34059115 1 Au Au1 1 5.01088673 5.01088673 5.01088673 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 1.67029558 1.67029558 1.67029558 1 [/CIF]
AgAuScTa
F-43m
216
cubic
-43m
11,820.334473
false
[CIF] data_CaVPdAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64661792 _cell_length_b 4.64661792 _cell_length_c 4.64661792 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaVPdAu _chemical_formula_sum 'Ca1 V1 Pd1 Au1' _cell_volume 70.94076881 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.28565504 3.28565504 3.28565504 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 4.92848256 4.92848256 4.92848256 1 V V3 1 1.64282752 1.64282752 1.64282752 1 [/CIF]
AuCaPdV
F-43m
216
cubic
-43m
9,232.021257
false
[CIF] data_MnSbMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30536138 _cell_length_b 4.30536138 _cell_length_c 4.30536138 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnSbMo _chemical_formula_sum 'Mn1 Sb1 Mo1' _cell_volume 56.43049186 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 0.00000000 0.00000000 0.00000000 1 Mo Mo1 1 3.04435023 3.04435023 3.04435023 1 Sb Sb2 1 4.56652535 4.56652535 4.56652535 1 [/CIF]
MnMoSb
F-43m
216
cubic
-43m
8,023.310104
false
[CIF] data_SrCd5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88842494 _cell_length_b 7.07029202 _cell_length_c 7.07029202 _cell_angle_alpha 39.81412685 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCd5 _chemical_formula_sum 'Sr1 Cd5' _cell_volume 156.46836755 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.44421247 -0.00000000 0.46999759 1 Cd Cd1 1 2.44421247 -0.00000000 9.16013864 1 Cd Cd2 1 2.44421247 -0.00000000 4.74591708 1 Cd Cd3 1 0.00000000 -0.00000000 7.20481298 1 Cd Cd4 1 0.00000000 -0.00000000 2.40932076 1 Sr Sr5 1 0.00000000 0.00000000 11.46482585 1 [/CIF]
Cd5Sr
Amm2
38
orthorhombic
mm2
6,894.752818
false
[CIF] data_BiAsSe2S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.68210359 _cell_length_b 9.68210359 _cell_length_c 9.68210359 _cell_angle_alpha 23.65136079 _cell_angle_beta 23.65136079 _cell_angle_gamma 23.65136079 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiAsSe2S _chemical_formula_sum 'Bi1 As1 Se2 S1' _cell_volume 128.29732847 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 11.29387433 1 Bi Bi1 1 0.00000000 0.00000000 16.92325260 1 Se Se2 1 -0.00000000 -0.00000000 0.13814681 1 Se Se3 1 -0.00000000 0.00000000 22.09527766 1 S S4 1 -0.00000000 -0.00000000 5.99211327 1 [/CIF]
AsBiSSe2
R3m
160
trigonal
3m
6,133.470474
false
[CIF] data_VOsSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.09618771 _cell_length_b 3.09618771 _cell_length_c 6.21084359 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VOsSe2 _chemical_formula_sum 'V1 Os1 Se2' _cell_volume 59.53949644 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Os Os0 1 0.00000000 0.00000000 3.10542180 1 Se Se1 1 1.54809386 1.54809386 4.73952108 1 Se Se2 1 1.54809386 1.54809386 1.47132251 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
OsSe2V
P4/mmm
123
tetragonal
4/mmm
11,130.544707
false
[CIF] data_KTaAlCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03830401 _cell_length_b 5.03830401 _cell_length_c 5.03830401 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTaAlCd _chemical_formula_sum 'K1 Ta1 Al1 Cd1' _cell_volume 90.43532617 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cd Cd1 1 5.34392840 5.34392840 5.34392840 1 K K2 1 3.56261893 3.56261893 3.56261893 1 Ta Ta3 1 1.78130947 1.78130947 1.78130947 1 [/CIF]
AlCdKTa
F-43m
216
cubic
-43m
6,599.877057
false
[CIF] data_ZrVCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.12675703 _cell_length_b 3.12675703 _cell_length_c 9.35234076 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 111.96806727 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrVCl2 _chemical_formula_sum 'Zr1 V1 Cl2' _cell_volume 84.79537529 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.54209712 1 Cl Cl1 1 1.74918263 0.00000000 6.34447515 1 V V2 1 0.00000000 0.00000000 4.67418815 1 Zr Zr3 1 1.74918263 0.00000000 2.46775072 1 [/CIF]
Cl2VZr
Cmm2
35
orthorhombic
mm2
4,172.557153
false
[CIF] data_SrCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.82508469 _cell_length_b 5.82508469 _cell_length_c 5.82508469 _cell_angle_alpha 147.23310985 _cell_angle_beta 147.23310985 _cell_angle_gamma 47.01874860 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCo2 _chemical_formula_sum 'Sr1 Co2' _cell_volume 57.68059573 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 -0.00000000 0.00000000 2.94151039 1 Co Co1 1 -0.00000000 0.00000000 7.74163461 1 Sr Sr2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Co2Sr
I4/mmm
139
tetragonal
4/mmm
5,915.649343
false
[CIF] data_TiCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12186264 _cell_length_b 4.12186264 _cell_length_c 4.12186264 _cell_angle_alpha 40.64255189 _cell_angle_beta 40.64255189 _cell_angle_gamma 40.64255189 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCo _chemical_formula_sum 'Ti1 Co1' _cell_volume 26.80224026 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.66389776 1 Ti Ti1 1 -0.00000000 0.00000000 -0.00000000 1 [/CIF]
CoTi
R-3m
166
trigonal
-3m
6,616.831046
false
[CIF] data_CaTiCoCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46881015 _cell_length_b 4.46881015 _cell_length_c 4.46881015 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTiCoCu _chemical_formula_sum 'Ca1 Ti1 Co1 Cu1' _cell_volume 63.10455610 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Co Co1 1 4.73988894 4.73988894 4.73988894 1 Cu Cu2 1 3.15992596 3.15992596 3.15992596 1 Ti Ti3 1 1.57996298 1.57996298 1.57996298 1 [/CIF]
CaCoCuTi
F-43m
216
cubic
-43m
5,537.121532
false
[CIF] data_BaZrTlPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20004771 _cell_length_b 5.20004771 _cell_length_c 5.20004771 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaZrTlPd _chemical_formula_sum 'Ba1 Zr1 Tl1 Pd1' _cell_volume 99.42760713 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.51548350 5.51548350 5.51548350 1 Pd Pd1 1 3.67698900 3.67698900 3.67698900 1 Tl Tl2 1 1.83849450 1.83849450 1.83849450 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaPdTlZr
F-43m
216
cubic
-43m
9,007.74857
false
[CIF] data_CsAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.35721637 _cell_length_b 5.35721637 _cell_length_c 5.35721637 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsAg _chemical_formula_sum 'Cs1 Ag1' _cell_volume 108.71827743 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cs Cs1 1 3.78812402 3.78812402 3.78812402 1 [/CIF]
AgCs
Fm-3m
225
cubic
m-3m
3,677.523822
false
[CIF] data_YIn2Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.29871966 _cell_length_b 3.29871966 _cell_length_c 7.84949633 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YIn2Co _chemical_formula_sum 'Y1 In2 Co1' _cell_volume 85.41469762 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.01053658 1 In In1 1 1.64935983 1.64935983 7.44753053 1 In In2 1 0.00000000 0.00000000 1.86165076 1 Y Y3 1 1.64935983 1.64935983 4.30402295 1 [/CIF]
CoIn2Y
P4mm
99
tetragonal
4mm
7,338.705856
false
[CIF] data_CdGa2Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50608497 _cell_length_b 4.50608497 _cell_length_c 4.50608497 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdGa2Co _chemical_formula_sum 'Cd1 Ga2 Co1' _cell_volume 64.69684957 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.59314162 1.59314162 1.59314162 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 Ga Ga2 1 4.77942486 4.77942486 4.77942486 1 Ga Ga3 1 3.18628324 3.18628324 3.18628324 1 [/CIF]
CdCoGa2
F-43m
216
cubic
-43m
7,976.88394
false
[CIF] data_LiCaTa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.99426303 _cell_length_b 2.99426303 _cell_length_c 10.29101688 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.42235563 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCaTa2 _chemical_formula_sum 'Li1 Ca1 Ta2' _cell_volume 87.01471455 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.72978094 0.00000000 5.25988270 1 Li Li1 1 0.00000000 0.00000000 2.30395584 1 Ta Ta2 1 1.72978094 0.00000000 10.12975582 1 Ta Ta3 1 0.00000000 0.00000000 8.03394784 1 [/CIF]
CaLiTa2
Cmm2
35
orthorhombic
mm2
7,803.495505
false
[CIF] data_ZrScRePb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83891794 _cell_length_b 4.83891794 _cell_length_c 4.83891794 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrScRePb _chemical_formula_sum 'Zr1 Sc1 Re1 Pb1' _cell_volume 80.11794003 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.42163169 3.42163169 3.42163169 1 Re Re1 1 1.71081584 1.71081584 1.71081585 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 5.13244753 5.13244753 5.13244754 1 [/CIF]
PbReScZr
F-43m
216
cubic
-43m
10,976.315119
false
[CIF] data_ZrTcNiBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66402050 _cell_length_b 4.66402050 _cell_length_c 4.66402050 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTcNiBi _chemical_formula_sum 'Zr1 Tc1 Ni1 Bi1' _cell_volume 71.74082272 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.29796052 3.29796052 3.29796052 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 4.94694078 4.94694078 4.94694078 1 Zr Zr3 1 1.64898026 1.64898026 1.64898026 1 [/CIF]
BiNiTcZr
F-43m
216
cubic
-43m
10,596.497197
false
[CIF] data_MnGa2Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.76077038 _cell_length_b 2.87613111 _cell_length_c 6.20113958 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.48601116 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnGa2Co _chemical_formula_sum 'Mn1 Ga2 Co1' _cell_volume 49.22258192 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.08040670 0.00000000 3.09952703 1 Ga Ga1 1 1.26406059 1.43806556 4.58075783 1 Ga Ga2 1 1.33589638 1.43806556 1.61829623 1 Mn Mn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CoGa2Mn
P2/m
10
monoclinic
2/m
8,545.735654
false
[CIF] data_Ta2CoPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46014549 _cell_length_b 4.46014549 _cell_length_c 4.46014549 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2CoPd _chemical_formula_sum 'Ta2 Co1 Pd1' _cell_volume 62.73820351 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 3.15379912 3.15379912 3.15379912 1 Ta Ta2 1 4.73069868 4.73069868 4.73069868 1 Ta Ta3 1 1.57689956 1.57689956 1.57689956 1 [/CIF]
CoPdTa2
Fm-3m
225
cubic
m-3m
13,955.093366
false
[CIF] data_KTi2Cr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.31724310 _cell_length_b 3.31724310 _cell_length_c 8.50820623 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTi2Cr _chemical_formula_sum 'K1 Ti2 Cr1' _cell_volume 93.62516736 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.65862155 1.65862155 3.30706293 1 K K1 1 0.00000000 0.00000000 6.16960229 1 Ti Ti2 1 1.65862155 1.65862155 0.87057293 1 Ti Ti3 1 0.00000000 0.00000000 2.41507118 1 [/CIF]
CrKTi2
P4mm
99
tetragonal
4mm
3,313.594685
false
[CIF] data_ScNbBiAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04128401 _cell_length_b 5.04128401 _cell_length_c 5.04128401 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScNbBiAu _chemical_formula_sum 'Sc1 Nb1 Bi1 Au1' _cell_volume 90.59589028 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.56472611 3.56472611 3.56472611 1 Bi Bi1 1 1.78236306 1.78236306 1.78236306 1 Nb Nb2 1 5.34708917 5.34708917 5.34708916 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuBiNbSc
F-43m
216
cubic
-43m
9,967.521925
false
[CIF] data_LaCuO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.82870561 _cell_length_b 3.82870561 _cell_length_c 3.82870561 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCuO3 _chemical_formula_sum 'La1 Cu1 O3' _cell_volume 56.12494433 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 1.91435280 1.91435280 1.91435280 1 O O2 1 0.00000000 0.00000000 1.91435280 1 O O3 1 1.91435280 0.00000000 0.00000000 1 O O4 1 0.00000000 1.91435280 0.00000000 1 [/CIF]
CuLaO3
Pm-3m
221
cubic
m-3m
7,409.922027
false
[CIF] data_Ba3TlTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.60709585 _cell_length_b 6.60709585 _cell_length_c 6.60709585 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba3TlTe _chemical_formula_sum 'Ba3 Tl1 Te1' _cell_volume 288.42428299 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.30354793 3.30354793 3.30354793 1 Te Te1 1 0.00000000 0.00000000 0.00000000 1 Ba Ba2 1 0.00000000 3.30354793 0.00000000 1 Ba Ba3 1 0.00000000 0.00000000 3.30354793 1 Ba Ba4 1 3.30354793 0.00000000 0.00000000 1 [/CIF]
Ba3TeTl
Pm-3m
221
cubic
m-3m
4,283.210039
false
[CIF] data_Sr4SnP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.74234344 _cell_length_b 6.74234344 _cell_length_c 6.74234344 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr4SnP _chemical_formula_sum 'Sr4 Sn1 P1' _cell_volume 216.72929341 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sn Sn1 1 2.38377838 2.38377838 2.38377838 1 Sr Sr2 1 3.57414727 3.57414727 5.96096627 1 Sr Sr3 1 3.57414727 5.96096627 3.57414727 1 Sr Sr4 1 5.96096627 3.57414727 3.57414727 1 Sr Sr5 1 5.96096627 5.96096627 5.96096627 1 [/CIF]
PSnSr4
F-43m
216
cubic
-43m
3,832.160634
false
[CIF] data_TcPdW4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21193071 _cell_length_b 5.21193071 _cell_length_c 5.21193071 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcPdW4 _chemical_formula_sum 'Tc1 Pd1 W4' _cell_volume 100.11079331 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pd Pd0 1 5.52808733 5.52808733 5.52808733 1 Tc Tc1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 4.60597506 4.60597506 2.76480804 1 W W3 1 4.60597506 2.76480804 4.60597506 1 W W4 1 2.76480804 4.60597506 4.60597506 1 W W5 1 2.76480804 2.76480804 2.76480804 1 [/CIF]
PdTcW4
F-43m
216
cubic
-43m
15,603.174571
false
[CIF] data_TiSbSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65965789 _cell_length_b 4.65965789 _cell_length_c 4.65965789 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiSbSe _chemical_formula_sum 'Ti1 Sb1 Se1' _cell_volume 71.53969723 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sb Sb0 1 1.64743784 1.64743784 1.64743785 1 Se Se1 1 4.94231354 4.94231354 4.94231354 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
SbSeTi
F-43m
216
cubic
-43m
5,770.061112
false
[CIF] data_HfGaOsRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50056719 _cell_length_b 4.50056719 _cell_length_c 4.50056719 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfGaOsRu _chemical_formula_sum 'Hf1 Ga1 Os1 Ru1' _cell_volume 64.45947318 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 0.00000000 0.00000000 0.00000000 1 Hf Hf1 1 4.77357237 4.77357237 4.77357237 1 Os Os2 1 3.18238158 3.18238158 3.18238158 1 Ru Ru3 1 1.59119079 1.59119079 1.59119079 1 [/CIF]
GaHfOsRu
F-43m
216
cubic
-43m
13,898.38249
false
[CIF] data_ScMn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32547300 _cell_length_b 5.32547300 _cell_length_c 6.63275481 _cell_angle_alpha 101.82893627 _cell_angle_beta 101.82893627 _cell_angle_gamma 32.18909064 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScMn2 _chemical_formula_sum 'Sc2 Mn4' _cell_volume 97.90140604 _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 Mn Mn0 1 0.02594718 -0.00000000 0.10263971 1 Mn Mn1 1 3.61459769 0.00000000 1.80063072 1 Mn Mn2 1 6.41366151 -0.00000000 2.17307897 1 Mn Mn3 1 2.37770897 -0.00000000 4.24788305 1 Sc Sc4 1 -0.42623882 -0.00000000 3.83328093 1 Sc Sc5 1 6.15738653 0.00000000 6.20259241 1 [/CIF]
Mn4Sc2
Cm
8
monoclinic
m
5,252.316559
false
[CIF] data_TaTl2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.12643083 _cell_length_b 5.19466410 _cell_length_c 6.02738352 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTl2Cl _chemical_formula_sum 'Ta1 Tl2 Cl1' _cell_volume 97.88927708 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.55959339 1 Ta Ta1 1 1.56321542 2.59733205 5.00426163 1 Tl Tl2 1 0.00000000 0.00000000 5.51904647 1 Tl Tl3 1 1.56321542 2.59733205 1.98555738 1 [/CIF]
ClTaTl2
Pmm2
25
orthorhombic
mm2
10,604.992239
false
[CIF] data_MnCrMoIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29197343 _cell_length_b 4.29197343 _cell_length_c 4.29197343 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCrMoIr _chemical_formula_sum 'Mn1 Cr1 Mo1 Ir1' _cell_volume 55.90569846 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 3.03488352 3.03488352 3.03488352 1 Mn Mn2 1 4.55232528 4.55232528 4.55232528 1 Mo Mo3 1 1.51744176 1.51744176 1.51744176 1 [/CIF]
CrIrMnMo
F-43m
216
cubic
-43m
11,735.789196
false
[CIF] data_Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22703520 _cell_length_b 4.22703520 _cell_length_c 4.90313821 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Os _chemical_formula_sum Os4 _cell_volume 75.87112018 _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 Os Os0 1 0.00000000 0.00000000 3.67735366 1 Os Os1 1 0.00000000 0.00000000 1.22578455 1 Os Os2 1 2.11351760 1.22023996 3.67735366 1 Os Os3 1 -0.00000000 2.44047991 1.22578455 1 [/CIF]
Os4
P6_3/mmc
194
hexagonal
6/mmm
16,653.73311
false
[CIF] data_BaZnCrCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01998622 _cell_length_b 5.01998622 _cell_length_c 5.01998622 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaZnCrCo _chemical_formula_sum 'Ba1 Zn1 Cr1 Co1' _cell_volume 89.45251965 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.32449945 5.32449945 5.32449945 1 Co Co1 1 1.77483315 1.77483315 1.77483315 1 Cr Cr2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 3.54966630 3.54966630 3.54966630 1 [/CIF]
BaCoCrZn
F-43m
216
cubic
-43m
5,822.142547
false
[CIF] data_Li2NiTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95161888 _cell_length_b 3.95161888 _cell_length_c 4.07234413 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2NiTe _chemical_formula_sum 'Li2 Ni1 Te1' _cell_volume 63.59084179 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.97580944 0.00000000 2.03617207 1 Li Li1 1 0.00000000 1.97580944 2.03617207 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 1.97580944 1.97580944 0.00000000 1 [/CIF]
Li2NiTe
P4/mmm
123
tetragonal
4/mmm
5,227.153196
false
[CIF] data_NaMgCrCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62230272 _cell_length_b 4.62230272 _cell_length_c 4.62230272 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaMgCrCo _chemical_formula_sum 'Na1 Mg1 Cr1 Co1' _cell_volume 69.83291268 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.63423080 1.63423080 1.63423080 1 Cr Cr1 1 4.90269240 4.90269240 4.90269240 1 Mg Mg2 1 3.26846160 3.26846160 3.26846160 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CoCrMgNa
F-43m
216
cubic
-43m
3,762.369776
false
[CIF] data_AcPu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.24987061 _cell_length_b 6.24987061 _cell_length_c 6.24987061 _cell_angle_alpha 34.39672878 _cell_angle_beta 34.39672878 _cell_angle_gamma 34.39672878 _symmetry_Int_Tables_number 1 _chemical_formula_structural AcPu _chemical_formula_sum 'Ac1 Pu1' _cell_volume 69.49220414 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ac Ac0 1 0.00000000 0.00000000 0.00000000 1 Pu Pu1 1 -0.00000000 -0.00000000 8.81147230 1 [/CIF]
AcPu
R-3m
166
trigonal
-3m
11,254.699636
false
[CIF] data_CsNbIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.53747765 _cell_length_b 5.53747765 _cell_length_c 5.53747765 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsNbIn2 _chemical_formula_sum 'Cs1 Nb1 In2' _cell_volume 120.06625432 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cs Cs0 1 3.91558800 3.91558800 3.91558800 1 In In1 1 5.87338200 5.87338200 5.87338200 1 In In2 1 1.95779400 1.95779400 1.95779400 1 Nb Nb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CsIn2Nb
Fm-3m
225
cubic
m-3m
6,298.929886
false
[CIF] data_Tl2VTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69004518 _cell_length_b 4.69004518 _cell_length_c 4.69004518 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2VTc _chemical_formula_sum 'Tl2 V1 Tc1' _cell_volume 72.94845223 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tc Tc0 1 3.31636275 3.31636275 3.31636275 1 Tl Tl1 1 4.97454413 4.97454413 4.97454413 1 Tl Tl2 1 1.65818138 1.65818138 1.65818138 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
TcTl2V
Fm-3m
225
cubic
m-3m
12,715.919248
false
[CIF] data_GaMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.39732861 _cell_length_b 5.39732861 _cell_length_c 7.05013681 _cell_angle_alpha 106.14691103 _cell_angle_beta 106.14691103 _cell_angle_gamma 28.85696812 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaMo2 _chemical_formula_sum 'Ga2 Mo4' _cell_volume 94.94615054 _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 6.71282713 0.00000000 5.71054005 1 Ga Ga1 1 1.71685460 0.00000000 1.04266705 1 Mo Mo2 1 4.49643028 0.00000000 1.22327225 1 Mo Mo3 1 0.33974751 0.00000000 3.53947858 1 Mo Mo4 1 8.08993421 0.00000000 3.21372852 1 Mo Mo5 1 3.93325144 -0.00000000 5.52993484 1 [/CIF]
Ga2Mo4
C2/m
12
monoclinic
2/m
9,151.891268
false
[CIF] data_Ni3SeN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85643329 _cell_length_b 3.85643329 _cell_length_c 3.85643329 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni3SeN _chemical_formula_sum 'Ni3 Se1 N1' _cell_volume 57.35317561 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.92821665 0.00000000 1 Ni Ni1 1 0.00000000 0.00000000 1.92821665 1 Ni Ni2 1 1.92821665 0.00000000 0.00000000 1 Se Se3 1 1.92821665 1.92821665 1.92821665 1 N N4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
NNi3Se
Pm-3m
221
cubic
m-3m
7,789.680056
false
[CIF] data_LiSn4Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.45002952 _cell_length_b 7.45002952 _cell_length_c 7.45002952 _cell_angle_alpha 126.71003965 _cell_angle_beta 126.71003965 _cell_angle_gamma 78.72424014 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiSn4Ir _chemical_formula_sum 'Li2 Sn8 Ir2' _cell_volume 257.18677055 _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 Li Li0 1 -0.00000000 -0.00000000 5.76001300 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 1.05955292 2.28149408 4.20316213 1 Sn Sn3 1 1.05955292 4.40059992 -1.55685087 1 Sn Sn4 1 2.28149408 -1.05955292 4.20316213 1 Sn Sn5 1 1.05955292 4.40059992 1.55685087 1 Sn Sn6 1 2.28149408 -1.05955292 7.31686387 1 Sn Sn7 1 2.28149408 1.05955292 1.55685087 1 Sn Sn8 1 1.05955292 2.28149408 7.31686387 1 Sn Sn9 1 2.28149408 1.05955292 -1.55685087 1 Ir Ir10 1 -0.00000000 -0.00000000 8.64001950 1 Ir Ir11 1 0.00000000 0.00000000 2.88000650 1 [/CIF]
Ir2Li2Sn8
I4/mcm
140
tetragonal
4/mmm
8,703.402647
false
[CIF] data_Si2TcHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08419100 _cell_length_b 3.08419100 _cell_length_c 7.36272586 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si2TcHg _chemical_formula_sum 'Si2 Tc1 Hg1' _cell_volume 70.03597217 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 0.00000000 0.00000000 3.68136293 1 Si Si1 1 1.54209550 1.54209550 6.05100758 1 Si Si2 1 1.54209550 1.54209550 1.31171828 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgSi2Tc
P4/mmm
123
tetragonal
4/mmm
8,432.807622
false
[CIF] data_SrLi2Ta _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.04390210 _cell_length_b 5.60868261 _cell_length_c 5.69036331 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrLi2Ta _chemical_formula_sum 'Sr1 Li2 Ta1' _cell_volume 97.14748014 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.52195105 2.80434130 0.00000000 1 Sr Sr2 1 1.52195105 0.00000000 2.84518166 1 Ta Ta3 1 0.00000000 2.80434130 2.84518166 1 [/CIF]
Li2SrTa
Pmmm
47
orthorhombic
mmm
4,827.907625
false
[CIF] data_Co2TcHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.80015307 _cell_length_b 2.80015307 _cell_length_c 7.29945223 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2TcHg _chemical_formula_sum 'Co2 Tc1 Hg1' _cell_volume 57.23396269 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.40007653 1.40007653 0.08093633 1 Co Co1 1 0.00000000 0.00000000 1.52436169 1 Hg Hg2 1 1.40007653 1.40007653 3.54828811 1 Tc Tc3 1 0.00000000 0.00000000 5.79559222 1 [/CIF]
Co2HgTc
P4mm
99
tetragonal
4mm
12,109.014527
false
[CIF] data_InGaBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.97530913 _cell_length_b 10.97530913 _cell_length_c 10.97530913 _cell_angle_alpha 18.38129976 _cell_angle_beta 18.38129976 _cell_angle_gamma 18.38129976 _symmetry_Int_Tables_number 1 _chemical_formula_structural InGaBi2 _chemical_formula_sum 'In1 Ga1 Bi2' _cell_volume 114.82737514 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.29555185 1 Bi Bi1 1 -0.00000000 0.00000000 24.06555965 1 Ga Ga2 1 -0.00000000 -0.00000000 -0.00000000 1 In In3 1 -0.00000000 -0.00000000 16.18055575 1 [/CIF]
Bi2GaIn
R-3m
166
trigonal
-3m
8,712.885539
false
[CIF] data_SrTl2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.86320735 _cell_length_b 5.08569422 _cell_length_c 6.49246996 _cell_angle_alpha 90.00000000 _cell_angle_beta 101.02475166 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTl2Hg _chemical_formula_sum 'Sr1 Tl2 Hg1' _cell_volume 125.20402121 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 1.89712995 2.54284711 3.26751555 1 Sr Sr1 1 0.02911127 0.00000000 4.52527704 1 Tl Tl2 1 3.73890414 2.54284711 0.27473606 1 Tl Tl3 1 2.13051087 0.00000000 1.49144521 1 [/CIF]
HgSrTl2
Pm
6
monoclinic
m
9,243.767585
false
[CIF] data_SrNbCr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66121087 _cell_length_b 4.66121087 _cell_length_c 4.66121087 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrNbCr2 _chemical_formula_sum 'Sr1 Nb1 Cr2' _cell_volume 71.61125000 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.64798691 1.64798691 1.64798691 1 Cr Cr1 1 4.94396072 4.94396072 4.94396072 1 Nb Nb2 1 3.29597382 3.29597382 3.29597382 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cr2NbSr
Fm-3m
225
cubic
m-3m
6,597.511017
false
[CIF] data_TcNiHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.90471473 _cell_length_b 2.89695843 _cell_length_c 8.22915433 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.75163703 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcNiHg2 _chemical_formula_sum 'Tc1 Ni1 Hg2' _cell_volume 69.24104072 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.07916912 0.00000000 7.99228259 1 Hg Hg1 1 1.38150542 1.44847922 2.40925639 1 Ni Ni2 1 2.84347709 0.00000000 4.34466742 1 Tc Tc3 1 1.39373758 1.44847922 5.82490911 1 [/CIF]
Hg2NiTc
Pm
6
monoclinic
m
13,400.655823
false
[CIF] data_BeCrCoOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.02176648 _cell_length_b 4.02176648 _cell_length_c 4.02176648 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeCrCoOs _chemical_formula_sum 'Be1 Cr1 Co1 Os1' _cell_volume 45.99764025 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Co Co1 1 2.84381835 2.84381835 2.84381835 1 Cr Cr2 1 1.42190918 1.42190918 1.42190918 1 Os Os3 1 4.26572753 4.26572753 4.26572753 1 [/CIF]
BeCoCrOs
F-43m
216
cubic
-43m
11,197.353866
false
[CIF] data_ScZnHgPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67592433 _cell_length_b 4.67592433 _cell_length_c 4.67592433 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScZnHgPt _chemical_formula_sum 'Sc1 Zn1 Hg1 Pt1' _cell_volume 72.29153136 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.30637780 3.30637780 3.30637780 1 Pt Pt1 1 1.65318890 1.65318890 1.65318890 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 4.95956670 4.95956670 4.95956670 1 [/CIF]
HgPtScZn
F-43m
216
cubic
-43m
11,623.065816
false
[CIF] data_HgOsPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49597001 _cell_length_b 4.49597001 _cell_length_c 4.49597001 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgOsPd2 _chemical_formula_sum 'Hg1 Os1 Pd2' _cell_volume 64.26214532 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.17913088 3.17913088 3.17913088 1 Os Os1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 1.58956544 1.58956544 1.58956544 1 Pd Pd3 1 4.76869633 4.76869633 4.76869633 1 [/CIF]
HgOsPd2
Fm-3m
225
cubic
m-3m
15,598.623544
false
[CIF] data_BaSiRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.35894309 _cell_length_b 6.35894309 _cell_length_c 6.35894309 _cell_angle_alpha 40.08952100 _cell_angle_beta 40.08952100 _cell_angle_gamma 40.08952100 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSiRu2 _chemical_formula_sum 'Ba1 Si1 Ru2' _cell_volume 96.09863684 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 0.00000000 8.75956538 1 Ru Ru1 1 0.00000000 0.00000000 11.86019417 1 Ru Ru2 1 0.00000000 0.00000000 5.65893659 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaRu2Si
R-3m
166
trigonal
-3m
6,347.917816
false
[CIF] data_HfReAgHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72309546 _cell_length_b 4.72309546 _cell_length_c 4.72309546 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfReAgHg _chemical_formula_sum 'Hf1 Re1 Ag1 Hg1' _cell_volume 74.50152678 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.00959925 5.00959925 5.00959925 1 Hg Hg2 1 1.66986642 1.66986642 1.66986642 1 Re Re3 1 3.33973283 3.33973283 3.33973283 1 [/CIF]
AgHfHgRe
F-43m
216
cubic
-43m
15,003.726176
false
[CIF] data_NaVCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86709435 _cell_length_b 4.86709435 _cell_length_c 4.86709435 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaVCd _chemical_formula_sum 'Na1 V1 Cd1' _cell_volume 81.52565525 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 3.44155542 3.44155542 3.44155542 1 Na Na1 1 0.00000000 -0.00000000 0.00000000 1 V V2 1 1.72077771 1.72077771 1.72077771 1 [/CIF]
CdNaV
F-43m
216
cubic
-43m
3,795.475387
false
[CIF] data_K2Cr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.31119896 _cell_length_b 7.31119896 _cell_length_c 7.31119896 _cell_angle_alpha 100.62994707 _cell_angle_beta 100.62994707 _cell_angle_gamma 129.12909740 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2Cr _chemical_formula_sum 'K4 Cr2' _cell_volume 273.77604675 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 -0.00000000 0.00000000 1.57005798 1 Cr Cr1 1 0.00000000 -0.00000000 4.71017394 1 K K2 1 1.53966694 3.12902142 3.14011596 1 K K3 1 3.12902142 1.53966694 -0.00000000 1 K K4 1 1.53966694 6.20835530 -0.00000000 1 K K5 1 3.12902142 -1.53966694 3.14011596 1 [/CIF]
Cr2K4
I4/mcm
140
tetragonal
4/mmm
1,579.320522
false
[CIF] data_Hf2MoIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65011810 _cell_length_b 4.65011810 _cell_length_c 3.28325761 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2MoIr _chemical_formula_sum 'Hf2 Mo1 Ir1' _cell_volume 70.99584382 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.32505905 1.64162881 1 Hf Hf1 1 2.32505905 0.00000000 1.64162881 1 Ir Ir2 1 2.32505905 2.32505905 0.00000000 1 Mo Mo3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hf2IrMo
P4/mmm
123
tetragonal
4/mmm
15,089.73406
false
[CIF] data_Na2VW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79314720 _cell_length_b 4.79314720 _cell_length_c 6.77774850 _cell_angle_alpha 92.05382694 _cell_angle_beta 92.05382694 _cell_angle_gamma 30.76417553 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2VW _chemical_formula_sum 'Na2 V1 W1' _cell_volume 79.59343324 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.02565811 -0.00000000 0.06637014 1 Na Na1 1 2.10396505 0.00000000 5.01576416 1 V V2 1 4.44761920 0.00000000 3.01708062 1 W W3 1 6.90921254 -0.00000000 2.06038237 1 [/CIF]
Na2VW
Cm
8
monoclinic
m
5,857.451475
false
[CIF] data_BaGa2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28980085 _cell_length_b 3.28980085 _cell_length_c 7.72491069 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaGa2Os _chemical_formula_sum 'Ba1 Ga2 Os1' _cell_volume 83.60508307 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 1.64490042 1.64490042 2.51757813 1 Ga Ga2 1 1.64490042 1.64490042 5.20733256 1 Os Os3 1 0.00000000 0.00000000 3.86245535 1 [/CIF]
BaGa2Os
P4/mmm
123
tetragonal
4/mmm
9,275.504172
false
[CIF] data_ZnTc2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31769888 _cell_length_b 4.31769888 _cell_length_c 4.31769888 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnTc2Ge _chemical_formula_sum 'Zn1 Tc2 Ge1' _cell_volume 56.91700724 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.05307416 3.05307416 3.05307416 1 Tc Tc1 1 4.57961124 4.57961124 4.57961124 1 Tc Tc2 1 1.52653708 1.52653708 1.52653708 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GeTc2Zn
Fm-3m
225
cubic
m-3m
9,797.824008
false
[CIF] data_ScTlPdW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75503608 _cell_length_b 4.75503608 _cell_length_c 4.75503608 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTlPdW _chemical_formula_sum 'Sc1 Tl1 Pd1 W1' _cell_volume 76.02325374 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pd Pd0 1 3.36231826 3.36231826 3.36231826 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 5.04347739 5.04347739 5.04347739 1 W W3 1 1.68115913 1.68115913 1.68115913 1 [/CIF]
PdScTlW
F-43m
216
cubic
-43m
11,786.203928
false
[CIF] data_NaCdPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.69424502 _cell_length_b 6.69424502 _cell_length_c 6.69424502 _cell_angle_alpha 152.54012085 _cell_angle_beta 152.54012085 _cell_angle_gamma 39.22506688 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCdPd _chemical_formula_sum 'Na1 Cd1 Pd1' _cell_volume 63.67536201 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.31396054 1 Na Na1 1 -0.00000000 0.00000000 4.00760340 1 Pd Pd2 1 -0.00000000 -0.00000000 8.29018014 1 [/CIF]
CdNaPd
I4mm
107
tetragonal
4mm
6,306.2513
false
[CIF] data_NaIn2Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80321503 _cell_length_b 4.80321503 _cell_length_c 4.80321503 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaIn2Tc _chemical_formula_sum 'Na1 In2 Tc1' _cell_volume 78.35759377 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.09457888 5.09457888 5.09457888 1 In In1 1 1.69819296 1.69819296 1.69819296 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 3.39638592 3.39638592 3.39638592 1 [/CIF]
In2NaTc
Fm-3m
225
cubic
m-3m
7,449.597927
false
[CIF] data_BiPt2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.95504266 _cell_length_b 4.55084514 _cell_length_c 5.60435625 _cell_angle_alpha 90.00000000 _cell_angle_beta 96.50293275 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiPt2W _chemical_formula_sum 'Bi1 Pt2 W1' _cell_volume 74.88214805 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.37728789 2.27542257 4.36077467 1 Pt Pt1 1 1.87217831 0.00000000 5.56565015 1 Pt Pt2 1 2.47117006 2.27542257 1.64285265 1 W W3 1 1.08018003 0.00000000 2.35146792 1 [/CIF]
BiPt2W
Pm
6
monoclinic
m
17,363.054624
false
[CIF] data_SrZr2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10199658 _cell_length_b 5.10199658 _cell_length_c 6.53602867 _cell_angle_alpha 101.86823753 _cell_angle_beta 101.86823753 _cell_angle_gamma 42.17822481 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrZr2Ge _chemical_formula_sum 'Sr1 Zr2 Ge1' _cell_volume 111.42568170 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.02013193 0.00000000 3.73487796 1 Sr Sr1 1 6.99302639 0.00000000 1.74753776 1 Zr Zr2 1 8.04148571 0.00000000 5.70647195 1 Zr Zr3 1 1.14496295 0.00000000 4.74928101 1 [/CIF]
GeSrZr2
Cm
8
monoclinic
m
5,107.260855
false
[CIF] data_TcOF4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.30694403 _cell_length_b 9.30694403 _cell_length_c 8.28903700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcOF4 _chemical_formula_sum 'Tc6 O6 F24' _cell_volume 621.79741761 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tc Tc0 1 2.50187408 5.40132964 2.07225925 1 Tc Tc1 1 5.88019239 4.86735133 6.21677775 1 Tc Tc2 1 5.92862572 0.53397831 6.21677775 1 Tc Tc3 1 -1.27515371 7.52607165 2.07225925 1 Tc Tc4 1 -1.22672037 3.19269863 2.07225925 1 Tc Tc5 1 2.15159793 2.65872032 6.21677775 1 O O6 1 0.83794140 3.66500144 6.21677775 1 O O7 1 3.81553062 4.39504852 2.07225925 1 O O8 1 -1.89845836 5.50187070 6.21677775 1 O O9 1 1.06051697 6.95322778 6.21677775 1 O O10 1 3.59295505 1.10682218 2.07225925 1 O O11 1 6.55193038 2.55817926 2.07225925 1 F F12 1 2.52892937 2.40903609 8.03803667 1 F F13 1 2.12454265 5.65101387 3.89351817 1 F F14 1 5.47529379 4.66541484 8.03803667 1 F F15 1 5.95619289 0.98559903 8.03803667 1 F F16 1 -1.30272088 7.07445093 3.89351817 1 F F17 1 -0.82182177 3.39463512 3.89351817 1 F F18 1 1.42231511 0.94842608 6.21677775 1 F F19 1 -0.11020352 1.70597405 2.07225925 1 F F20 1 -3.12095338 7.30250198 2.07225925 1 F F21 1 7.77442540 0.75754798 6.21677775 1 F F22 1 4.76367554 6.35407591 6.21677775 1 F F23 1 3.23115691 7.11162388 2.07225925 1 F F24 1 4.11776432 1.18340878 6.21677775 1 F F25 1 1.03402010 4.15779289 2.07225925 1 F F26 1 -1.56972779 5.08566584 2.07225925 1 F F27 1 6.22319981 2.97438412 6.21677775 1 F F28 1 3.61945192 3.90225707 6.21677775 1 F F29 1 0.53570770 6.87664118 2.07225925 1 F F30 1 2.52892937 2.40903609 4.39551883 1 F F31 1 -0.82182177 3.39463512 0.25100033 1 F F32 1 -1.30272088 7.07445093 0.25100033 1 F F33 1 5.95619289 0.98559903 4.39551883 1 F F34 1 5.47529379 4.66541484 4.39551883 1 F F35 1 2.12454265 5.65101387 0.25100033 1 [/CIF]
F24O6Tc6
P6_3/m
176
hexagonal
6/m
3,058.831616
false
[CIF] data_KTa2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.84023560 _cell_length_b 6.84023560 _cell_length_c 6.84023560 _cell_angle_alpha 156.42638668 _cell_angle_beta 133.84290076 _cell_angle_gamma 52.46612252 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTa2Hg _chemical_formula_sum 'K1 Ta2 Hg1' _cell_volume 91.94989975 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 -0.00000000 -0.00000000 6.13571499 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 -0.00000000 2.68132260 2.67698766 1 Ta Ta3 1 1.39725934 -0.00000000 3.45872733 1 [/CIF]
HgKTa2
Immm
71
orthorhombic
mmm
10,864.413988
false
[CIF] data_Hf2ZnGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30335115 _cell_length_b 4.30335115 _cell_length_c 3.92375580 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2ZnGa _chemical_formula_sum 'Hf2 Zn1 Ga1' _cell_volume 72.66337102 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.15167558 2.15167558 0.00000000 1 Hf Hf1 1 2.15167558 0.00000000 1.96187790 1 Hf Hf2 1 0.00000000 2.15167558 1.96187790 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GaHf2Zn
P4/mmm
123
tetragonal
4/mmm
11,245.322562
false
[CIF] data_ZrBAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24269740 _cell_length_b 4.24269740 _cell_length_c 4.24269740 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrBAu _chemical_formula_sum 'Zr1 B1 Au1' _cell_volume 54.00216543 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.50006015 4.50006015 4.50006015 1 B B1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 3.00004010 3.00004010 3.00004010 1 [/CIF]
AuBZr
F-43m
216
cubic
-43m
9,194.145871
false
[CIF] data_TaNb2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78634216 _cell_length_b 4.78634216 _cell_length_c 4.78634216 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaNb2Pb _chemical_formula_sum 'Ta1 Nb2 Pb1' _cell_volume 77.53472089 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.69222750 1.69222750 1.69222750 1 Nb Nb1 1 5.07668250 5.07668250 5.07668250 1 Pb Pb2 1 3.38445500 3.38445500 3.38445500 1 Ta Ta3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Nb2PbTa
Fm-3m
225
cubic
m-3m
12,292.351794
false
[CIF] data_Tl2GaTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19257821 _cell_length_b 5.08411767 _cell_length_c 5.26849869 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2GaTc _chemical_formula_sum 'Tl2 Ga1 Tc1' _cell_volume 85.51533771 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 0.00000000 0.00000000 0.00000000 1 Tc Tc1 1 1.59628911 0.00000000 2.63424935 1 Tl Tl2 1 1.59628911 2.54205884 0.00000000 1 Tl Tl3 1 0.00000000 2.54205884 2.63424935 1 [/CIF]
GaTcTl2
Pmmm
47
orthorhombic
mmm
11,211.886761
false
[CIF] data_LaAlSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17541765 _cell_length_b 5.17541765 _cell_length_c 5.17541765 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaAlSe2 _chemical_formula_sum 'La1 Al1 Se2' _cell_volume 98.02146979 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 3.65957292 3.65957292 3.65957292 1 Se Se2 1 5.48935938 5.48935938 5.48935938 1 Se Se3 1 1.82978646 1.82978646 1.82978646 1 [/CIF]
AlLaSe2
Fm-3m
225
cubic
m-3m
5,485.915426
false
[CIF] data_AlCu2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51952741 _cell_length_b 4.51952741 _cell_length_c 4.51952741 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCu2Sn _chemical_formula_sum 'Al1 Cu2 Sn1' _cell_volume 65.27758461 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Cu Cu1 1 1.59789424 1.59789424 1.59789424 1 Cu Cu2 1 4.79368272 4.79368272 4.79368272 1 Sn Sn3 1 3.19578848 3.19578848 3.19578848 1 [/CIF]
AlCu2Sn
Fm-3m
225
cubic
m-3m
6,939.100539
false
[CIF] data_Sr2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75124274 _cell_length_b 4.75124274 _cell_length_c 5.09759190 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2Ir _chemical_formula_sum 'Sr2 Ir1' _cell_volume 99.65753352 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sr Sr1 1 2.37562137 1.37156564 1.16666486 1 Sr Sr2 1 -0.00000000 2.74313128 3.93092705 1 [/CIF]
IrSr2
P-3m1
164
trigonal
-3m
6,122.716947
false
[CIF] data_LiC2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20152274 _cell_length_b 4.20152274 _cell_length_c 4.20152274 _cell_angle_alpha 146.56932056 _cell_angle_beta 146.56932056 _cell_angle_gamma 48.00189945 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiC2 _chemical_formula_sum 'Li1 C2' _cell_volume 22.42002260 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.65191876 1 C C1 1 0.00000000 -0.00000000 2.02458862 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
C2Li
I4/mmm
139
tetragonal
4/mmm
2,293.230284
false
[CIF] data_ZrCrIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32997085 _cell_length_b 4.32997085 _cell_length_c 4.32997085 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCrIr _chemical_formula_sum 'Zr1 Cr1 Ir1' _cell_volume 57.40370447 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 4.59262762 4.59262763 4.59262763 1 Zr Zr2 1 3.06175175 3.06175175 3.06175175 1 [/CIF]
CrIrZr
F-43m
216
cubic
-43m
9,703.318176
false
[CIF] data_ScTaFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.84202066 _cell_length_b 2.84202066 _cell_length_c 7.59767344 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 94.22798896 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTaFe2 _chemical_formula_sum 'Sc1 Ta1 Fe2' _cell_volume 61.20002160 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.27233635 1 Fe Fe1 1 1.93411421 0.00000000 6.08262981 1 Sc Sc2 1 0.00000000 0.00000000 4.07464131 1 Ta Ta3 1 1.93411421 0.00000000 1.56457613 1 [/CIF]
Fe2ScTa
Cmm2
35
orthorhombic
mm2
9,159.926183
false