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_Fe2TeSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28025380 _cell_length_b 3.28025380 _cell_length_c 7.14962519 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2TeSe _chemical_formula_sum 'Fe2 Te1 Se1' _cell_volume 76.93043172 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.36828098 1 Fe Fe1 1 1.64012690 1.64012690 1.55724778 1 Se Se2 1 0.00000000 0.00000000 2.69703996 1 Te Te3 1 1.64012690 1.64012690 6.10186914 1 [/CIF]
Fe2SeTe
P4mm
99
tetragonal
4mm
6,869.408453
false
[CIF] data_YMnInSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10578544 _cell_length_b 5.10578544 _cell_length_c 5.10578544 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YMnInSn _chemical_formula_sum 'Y1 Mn1 In1 Sn1' _cell_volume 94.11799884 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.80516775 1.80516776 1.80516776 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 3.61033551 3.61033551 3.61033551 1 Y Y3 1 5.41550327 5.41550327 5.41550326 1 [/CIF]
InMnSnY
F-43m
216
cubic
-43m
6,658.033341
false
[CIF] data_SrSiAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26208387 _cell_length_b 5.26208387 _cell_length_c 5.26208387 _cell_angle_alpha 132.35492113 _cell_angle_beta 115.74734201 _cell_angle_gamma 83.79277865 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrSiAu2 _chemical_formula_sum 'Sr1 Si1 Au2' _cell_volume 93.18165320 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 0.00000000 2.79831200 2.39220639 1 Au Au1 1 2.12538303 0.00000000 1.52464484 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 Sr Sr3 1 0.00000000 -0.00000000 3.91685123 1 [/CIF]
Au2SiSr
Immm
71
orthorhombic
mmm
9,081.990275
false
[CIF] data_CoSnC3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.86467739 _cell_length_b 3.86467739 _cell_length_c 3.86467739 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoSnC3 _chemical_formula_sum 'Co1 Sn1 C3' _cell_volume 57.72178317 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.93233870 0.00000000 1 C C1 1 0.00000000 0.00000000 1.93233870 1 C C2 1 1.93233870 0.00000000 0.00000000 1 Co Co3 1 0.00000000 0.00000000 0.00000000 1 Sn Sn4 1 1.93233870 1.93233870 1.93233870 1 [/CIF]
C3CoSn
Pm-3m
221
cubic
m-3m
6,147.006475
false
[CIF] data_HfHg2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24230000 _cell_length_b 4.24230000 _cell_length_c 4.63589046 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfHg2Au _chemical_formula_sum 'Hf1 Hg2 Au1' _cell_volume 83.43262727 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 2.12115000 2.12115000 0.00000000 1 Hf Hf1 1 0.00000000 0.00000000 0.00000000 1 Hg Hg2 1 0.00000000 2.12115000 2.31794523 1 Hg Hg3 1 2.12115000 0.00000000 2.31794523 1 [/CIF]
AuHfHg2
P4/mmm
123
tetragonal
4/mmm
15,457.206679
false
[CIF] data_Fe2AsCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23459013 _cell_length_b 4.23459013 _cell_length_c 2.88853859 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2AsCl _chemical_formula_sum 'Fe2 As1 Cl1' _cell_volume 51.79656217 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.11729506 2.11729506 0.00000000 1 Cl Cl1 1 0.00000000 0.00000000 0.00000000 1 Fe Fe2 1 0.00000000 2.11729506 1.44426930 1 Fe Fe3 1 2.11729506 0.00000000 1.44426930 1 [/CIF]
AsClFe2
P4/mmm
123
tetragonal
4/mmm
7,119.139344
false
[CIF] data_ScFeHgAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71928462 _cell_length_b 4.71928462 _cell_length_c 4.71928462 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScFeHgAs _chemical_formula_sum 'Sc1 Fe1 Hg1 As1' _cell_volume 74.32133707 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.66851908 1.66851908 1.66851908 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Fe Fe2 1 5.00555724 5.00555724 5.00555724 1 Hg Hg3 1 3.33703816 3.33703816 3.33703816 1 [/CIF]
AsFeHgSc
F-43m
216
cubic
-43m
8,407.836189
false
[CIF] data_SbTe2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12599936 _cell_length_b 5.12599936 _cell_length_c 5.12599936 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SbTe2Pt _chemical_formula_sum 'Sb1 Te2 Pt1' _cell_volume 95.24027612 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.43694337 5.43694337 5.43694337 1 Sb Sb1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 1.81231446 1.81231446 1.81231446 1 Te Te3 1 3.62462891 3.62462891 3.62462891 1 [/CIF]
PtSbTe2
F-43m
216
cubic
-43m
9,973.736412
false
[CIF] data_BeCr2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.62205739 _cell_length_b 3.70835760 _cell_length_c 4.77771877 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeCr2Ru _chemical_formula_sum 'Be1 Cr2 Ru1' _cell_volume 46.45627483 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cr Cr1 1 1.31102870 1.85417880 1.08925978 1 Cr Cr2 1 1.31102870 1.85417880 3.68845899 1 Ru Ru3 1 0.00000000 0.00000000 2.38885938 1 [/CIF]
BeCr2Ru
Pmmm
47
orthorhombic
mmm
7,651.902262
false
[CIF] data_KCuSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04044467 _cell_length_b 3.77575374 _cell_length_c 5.86957548 _cell_angle_alpha 90.00000000 _cell_angle_beta 92.89827741 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCuSe2 _chemical_formula_sum 'K1 Cu1 Se2' _cell_volume 111.56380909 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.37183092 0.00000000 2.93103379 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Se Se2 1 2.21232555 1.88787687 4.40196835 1 Se Se3 1 2.53133629 1.88787687 1.46009923 1 [/CIF]
CuKSe2
P2/m
10
monoclinic
2/m
3,878.293535
false
[CIF] data_CoTc2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88088170 _cell_length_b 4.88088170 _cell_length_c 4.88088170 _cell_angle_alpha 145.66959060 _cell_angle_beta 129.33714954 _cell_angle_gamma 62.63343807 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoTc2P _chemical_formula_sum 'Co1 Tc2 P1' _cell_volume 50.17349657 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.08830312 0.29694375 1 P P1 1 0.00000000 0.00000000 6.14029861 1 Tc Tc2 1 -0.00000000 2.08830312 3.96126498 1 Tc Tc3 1 -0.00000000 0.00000000 2.11080974 1 [/CIF]
CoPTc2
Imm2
44
orthorhombic
mm2
9,522.342773
false
[CIF] data_HfAl2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80779761 _cell_length_b 4.80779761 _cell_length_c 3.55171299 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfAl2Te _chemical_formula_sum 'Hf1 Al2 Te1' _cell_volume 82.09755402 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.40389880 1.77585650 1 Al Al1 1 2.40389880 0.00000000 1.77585650 1 Hf Hf2 1 2.40389880 2.40389880 0.00000000 1 Te Te3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al2HfTe
P4/mmm
123
tetragonal
4/mmm
7,282.582385
false
[CIF] data_HoCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.44821300 _cell_length_b 3.44821300 _cell_length_c 3.44821300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HoCu _chemical_formula_sum 'Ho1 Cu1' _cell_volume 40.99984874 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ho Ho0 1 1.72410650 1.72410650 1.72410650 1 Cu Cu1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CuHo
Pm-3m
221
cubic
m-3m
9,253.5428
false
[CIF] data_FeAgMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00879289 _cell_length_b 5.00879289 _cell_length_c 5.00879289 _cell_angle_alpha 135.54106825 _cell_angle_beta 135.54106825 _cell_angle_gamma 64.69065453 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeAgMo2 _chemical_formula_sum 'Fe1 Ag1 Mo2' _cell_volume 60.77773994 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.23162276 1 Fe Fe1 1 -0.00000000 0.00000000 0.00000000 1 Mo Mo2 1 1.89491095 0.00000000 2.11581138 1 Mo Mo3 1 -0.00000000 1.89491095 2.11581138 1 [/CIF]
AgFeMo2
I4/mmm
139
tetragonal
4/mmm
9,716.432736
false
[CIF] data_Be2NbGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22868466 _cell_length_b 4.22868466 _cell_length_c 4.22868466 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2NbGe _chemical_formula_sum 'Be2 Nb1 Ge1' _cell_volume 53.46885741 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Be Be1 1 1.49506580 1.49506580 1.49506580 1 Ge Ge2 1 2.99013160 2.99013160 2.99013160 1 Nb Nb3 1 4.48519740 4.48519740 4.48519740 1 [/CIF]
Be2GeNb
F-43m
216
cubic
-43m
5,701.00815
false
[CIF] data_MnCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66367835 _cell_length_b 4.66367835 _cell_length_c 4.66367835 _cell_angle_alpha 144.79579659 _cell_angle_beta 129.40429773 _cell_angle_gamma 63.13492138 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCr _chemical_formula_sum 'Mn2 Cr2' _cell_volume 44.67286236 _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 0.99645074 5.01222222 1 Cr Cr1 1 1.41031897 0.99645074 -1.03865458 1 Mn Mn2 1 -0.00000000 0.99645074 0.94113298 1 Mn Mn3 1 1.41031897 0.99645074 3.03243466 1 [/CIF]
Cr2Mn2
Imma
74
orthorhombic
mmm
7,949.717835
false
[CIF] data_Eu(AlGa)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.28422686 _cell_length_b 6.28422686 _cell_length_c 6.28422686 _cell_angle_alpha 139.69756574 _cell_angle_beta 139.69756574 _cell_angle_gamma 58.31279095 _symmetry_Int_Tables_number 1 _chemical_formula_structural Eu(AlGa)2 _chemical_formula_sum 'Eu1 Al2 Ga2' _cell_volume 102.88488376 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Eu Eu0 1 0.00000000 0.00000000 0.00000000 1 Al Al1 1 0.00000000 2.16491000 2.74398600 1 Al Al2 1 2.16491000 0.00000000 2.74398600 1 Ga Ga3 1 -0.00000000 0.00000000 6.74296144 1 Ga Ga4 1 -0.00000000 0.00000000 4.23298256 1 [/CIF]
Al2EuGa2
I4/mmm
139
tetragonal
4/mmm
5,574.244401
false
[CIF] data_V2AsCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.57966210 _cell_length_b 5.57966210 _cell_length_c 5.57966210 _cell_angle_alpha 148.91123990 _cell_angle_beta 135.44221102 _cell_angle_gamma 55.32564091 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2AsCl _chemical_formula_sum 'V2 As1 Cl1' _cell_volume 62.52436111 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.49526409 -0.00000000 4.81816218 1 Cl Cl1 1 0.00000000 0.00000000 7.61949965 1 V V2 1 -0.00000000 2.11533540 4.61403341 1 V V3 1 -0.00000000 -0.00000000 2.71582190 1 [/CIF]
AsClV2
Imm2
44
orthorhombic
mm2
5,637.195338
false
[CIF] data_YRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28985940 _cell_length_b 4.28985940 _cell_length_c 7.19430777 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YRu2 _chemical_formula_sum 'Y2 Ru4' _cell_volume 114.65836931 _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 Ru Ru0 1 0.00000000 2.47675148 3.92219134 1 Ru Ru1 1 -0.00000000 2.47675148 6.86927031 1 Ru Ru2 1 2.14492970 1.23837574 0.32503746 1 Ru Ru3 1 2.14492970 1.23837574 3.27211643 1 Y Y4 1 0.00000000 0.00000000 5.39573083 1 Y Y5 1 0.00000000 0.00000000 1.79857694 1 [/CIF]
Ru4Y2
P6_3/mmc
194
hexagonal
6/mmm
8,430.139312
false
[CIF] data_LaSe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94881406 _cell_length_b 3.94881406 _cell_length_c 5.91411850 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaSe3 _chemical_formula_sum 'La1 Se3' _cell_volume 92.21963328 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 0.00000000 0.00000000 2.95705925 1 Se Se1 1 1.97440703 1.97440703 4.32071735 1 Se Se2 1 0.00000000 0.00000000 0.00000000 1 Se Se3 1 1.97440703 1.97440703 1.59340115 1 [/CIF]
LaSe3
P4/mmm
123
tetragonal
4/mmm
6,766.524995
false
[CIF] data_Ni2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.61807957 _cell_length_b 6.61807957 _cell_length_c 3.87609067 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 148.54489240 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni2Te _chemical_formula_sum 'Ni4 Te2' _cell_volume 88.59051475 _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 Ni Ni0 1 1.79391900 0.98207735 0.96902267 1 Ni Ni1 1 1.79391900 -0.98207735 2.90706800 1 Ni Ni2 1 1.79391900 -3.34748684 0.96902267 1 Ni Ni3 1 1.79391900 3.34748684 2.90706800 1 Te Te4 1 1.79391900 4.96447833 0.96902267 1 Te Te5 1 1.79391900 -4.96447833 2.90706800 1 [/CIF]
Ni4Te2
Cmcm
63
orthorhombic
mmm
9,184.05663
false
[CIF] data_TlVSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28738929 _cell_length_b 3.28738929 _cell_length_c 6.62914624 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlVSe _chemical_formula_sum 'Tl1 V1 Se1' _cell_volume 62.04267360 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Se Se0 1 -0.00000002 1.89797510 6.18086726 1 Tl Tl1 1 1.64369463 0.94898756 2.41858063 1 V V2 1 0.00000000 0.00000000 4.65884459 1 [/CIF]
SeTlV
P3m1
156
trigonal
3m
8,946.954362
false
[CIF] data_Hg2PdBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05017403 _cell_length_b 5.05017403 _cell_length_c 5.05017403 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hg2PdBr _chemical_formula_sum 'Hg2 Pd1 Br1' _cell_volume 91.07601793 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 3.57101230 3.57101230 3.57101230 1 Hg Hg2 1 1.78550615 1.78550615 1.78550615 1 Pd Pd3 1 5.35651845 5.35651845 5.35651845 1 [/CIF]
BrHg2Pd
F-43m
216
cubic
-43m
10,711.638102
false
[CIF] data_CrCoSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.57223856 _cell_length_b 5.57223856 _cell_length_c 5.57223856 _cell_angle_alpha 149.80229505 _cell_angle_beta 149.80229505 _cell_angle_gamma 43.23168965 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrCoSn _chemical_formula_sum 'Cr1 Co1 Sn1' _cell_volume 43.65621663 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.18092433 1 Cr Cr1 1 0.00000000 -0.00000000 3.67983932 1 Sn Sn2 1 -0.00000000 0.00000000 6.86071203 1 [/CIF]
CoCrSn
I4mm
107
tetragonal
4mm
8,734.7244
false
[CIF] data_KSc2Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.29586017 _cell_length_b 3.28168025 _cell_length_c 9.20454054 _cell_angle_alpha 90.00000000 _cell_angle_beta 93.86046243 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSc2Co _chemical_formula_sum 'K1 Sc2 Co1' _cell_volume 99.33004038 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.30985618 0.00000000 4.59182761 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Sc Sc2 1 1.50754650 1.64084012 3.18585500 1 Sc Sc3 1 1.16860130 1.64084012 5.99780022 1 [/CIF]
CoKSc2
P2/m
10
monoclinic
2/m
3,141.921843
false
[CIF] data_MgAgPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54230176 _cell_length_b 4.54230176 _cell_length_c 4.54230176 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgAgPt2 _chemical_formula_sum 'Mg1 Ag1 Pt2' _cell_volume 66.26938662 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.60594619 1.60594619 1.60594619 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 4.81783857 4.81783857 4.81783857 1 Pt Pt3 1 3.21189238 3.21189238 3.21189238 1 [/CIF]
AgMgPt2
F-43m
216
cubic
-43m
13,088.516627
false
[CIF] data_MnPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42310710 _cell_length_b 4.42310710 _cell_length_c 7.11951102 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnPt _chemical_formula_sum 'Mn4 Pt4' _cell_volume 120.62455075 _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 Mn Mn0 1 -0.00000000 2.55368207 4.36327335 1 Mn Mn1 1 2.21155355 1.27684104 0.80351784 1 Mn Mn2 1 2.21155355 1.27684104 2.75623767 1 Mn Mn3 1 0.00000000 2.55368207 6.31599318 1 Pt Pt4 1 0.00000000 0.00000000 5.33963327 1 Pt Pt5 1 0.00000000 0.00000000 1.77987776 1 Pt Pt6 1 -0.00000000 2.55368207 1.77987776 1 Pt Pt7 1 2.21155355 1.27684104 5.33963327 1 [/CIF]
Mn4Pt4
P6_3/mmc
194
hexagonal
6/mmm
13,767.392151
false
[CIF] data_Ca4MgSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.72936849 _cell_length_b 6.72936849 _cell_length_c 6.72936849 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca4MgSn _chemical_formula_sum 'Ca4 Mg1 Sn1' _cell_volume 215.48047901 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.57498493 3.57498493 5.94177925 1 Ca Ca1 1 3.57498493 5.94177925 3.57498493 1 Ca Ca2 1 5.94177925 3.57498493 3.57498493 1 Ca Ca3 1 5.94177925 5.94177925 5.94177925 1 Mg Mg4 1 0.00000000 0.00000000 0.00000000 1 Sn Sn5 1 2.37919104 2.37919104 2.37919104 1 [/CIF]
Ca4MgSn
F-43m
216
cubic
-43m
2,337.503313
false
[CIF] data_CoAsS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.58590300 _cell_length_b 5.59044200 _cell_length_c 5.57938900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoAsS _chemical_formula_sum 'Co4 As4 S4' _cell_volume 174.23130030 _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 Co Co0 1 2.75592255 1.33659083 2.79743869 1 Co Co1 1 5.54887405 4.25385117 2.79743869 1 Co Co2 1 0.03702895 1.33659083 0.00774419 1 Co Co3 1 2.82998045 4.25385117 0.00774419 1 As As4 1 4.90943897 2.07170600 2.13740255 1 As As5 1 3.46941553 2.07170600 4.92709705 1 As As6 1 2.11648747 3.51873600 2.13740255 1 As As7 1 0.67646403 3.51873600 4.92709705 1 S S8 1 0.66310813 0.72295596 3.47329798 1 S S9 1 2.12984337 0.72295596 0.68360348 1 S S10 1 4.92279487 4.86748604 0.68360348 1 S S11 1 3.45605963 4.86748604 3.47329798 1 [/CIF]
As4Co4S4
Pca2_1
29
orthorhombic
mm2
6,325.299784
false
[CIF] data_SrNb2Cd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11656485 _cell_length_b 3.11656485 _cell_length_c 10.03985598 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 108.14780398 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrNb2Cd _chemical_formula_sum 'Sr1 Nb2 Cd1' _cell_volume 92.66602384 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.82861721 0.00000000 2.21736093 1 Nb Nb1 1 0.00000000 0.00000000 9.87221970 1 Nb Nb2 1 1.82861721 0.00000000 7.94242123 1 Sr Sr3 1 0.00000000 0.00000000 5.06763809 1 [/CIF]
CdNb2Sr
Cmm2
35
orthorhombic
mm2
6,914.169946
false
[CIF] data_TlSnBiOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07559948 _cell_length_b 5.07559948 _cell_length_c 5.07559948 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlSnBiOs _chemical_formula_sum 'Tl1 Sn1 Bi1 Os1' _cell_volume 92.45854069 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.58899081 3.58899081 3.58899081 1 Os Os1 1 1.79449540 1.79449540 1.79449540 1 Sn Sn2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 5.38348621 5.38348621 5.38348621 1 [/CIF]
BiOsSnTl
F-43m
216
cubic
-43m
12,972.446925
false
[CIF] data_Nb4OsRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25451362 _cell_length_b 5.25451362 _cell_length_c 5.25451362 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb4OsRu _chemical_formula_sum 'Nb4 Os1 Ru1' _cell_volume 102.58469405 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.64288487 4.64288487 2.78811955 1 Nb Nb1 1 4.64288487 2.78811955 4.64288487 1 Nb Nb2 1 2.78811955 4.64288487 4.64288487 1 Nb Nb3 1 2.78811955 2.78811955 2.78811955 1 Os Os4 1 5.57325332 5.57325332 5.57325332 1 Ru Ru5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Nb4OsRu
F-43m
216
cubic
-43m
10,730.779425
false
[CIF] data_CaNb2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21290748 _cell_length_b 5.21290748 _cell_length_c 5.21290748 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaNb2Pb _chemical_formula_sum 'Ca1 Nb2 Pb1' _cell_volume 100.16708922 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 1.84304111 1.84304112 1.84304111 1 Nb Nb2 1 5.52912335 5.52912335 5.52912335 1 Pb Pb3 1 3.68608223 3.68608223 3.68608223 1 [/CIF]
CaNb2Pb
Fm-3m
225
cubic
m-3m
7,179.644851
false
[CIF] data_TiSn2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25291362 _cell_length_b 5.25291362 _cell_length_c 5.25291362 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiSn2Pb _chemical_formula_sum 'Ti1 Sn2 Pb1' _cell_volume 102.49101150 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.71437084 3.71437084 3.71437084 1 Sn Sn1 1 1.85718542 1.85718542 1.85718542 1 Sn Sn2 1 5.57155626 5.57155626 5.57155626 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PbSn2Ti
Fm-3m
225
cubic
m-3m
7,979.176821
false
[CIF] data_HfSc2Al _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44343271 _cell_length_b 5.44343271 _cell_length_c 5.44343271 _cell_angle_alpha 133.26532859 _cell_angle_beta 133.26532859 _cell_angle_gamma 68.23777166 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfSc2Al _chemical_formula_sum 'Hf1 Sc2 Al1' _cell_volume 84.02391616 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 2.15899940 -0.00000000 2.25324227 1 Sc Sc2 1 0.00000000 -0.00000000 4.50648453 1 Sc Sc3 1 0.00000000 2.15899940 2.25324227 1 [/CIF]
AlHfSc2
I-4m2
119
tetragonal
-42m
5,837.571439
false
[CIF] data_Zr3Ti3Al _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.28191963 _cell_length_b 8.28191963 _cell_length_c 4.63685154 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3Ti3Al _chemical_formula_sum 'Zr6 Ti6 Al2' _cell_volume 275.43292009 _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 Al Al0 1 4.14095982 2.39078426 3.47763866 1 Al Al1 1 0.00000000 4.78156853 1.15921289 1 Ti Ti2 1 1.27896915 3.70769484 3.47763866 1 Ti Ti3 1 0.29051732 6.42612514 3.47763866 1 Ti Ti4 1 -1.56948646 4.21088560 3.47763866 1 Ti Ti5 1 2.86199067 3.46465795 1.15921289 1 Ti Ti6 1 3.85044250 0.74622765 1.15921289 1 Ti Ti7 1 5.71044628 2.96146719 1.15921289 1 Zr Zr8 1 1.84116941 0.65755492 3.47763866 1 Zr Zr9 1 6.79187566 1.26572202 3.47763866 1 Zr Zr10 1 3.78983438 5.24907585 3.47763866 1 Zr Zr11 1 2.29979040 6.51479787 1.15921289 1 Zr Zr12 1 -2.65091584 5.90663077 1.15921289 1 Zr Zr13 1 0.35112544 1.92327695 1.15921289 1 [/CIF]
Al2Ti6Zr6
P6_3/m
176
hexagonal
6/m
5,356.489898
false
[CIF] data_Zr2InTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05324509 _cell_length_b 5.05324509 _cell_length_c 5.05324509 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2InTe _chemical_formula_sum 'Zr2 In1 Te1' _cell_volume 91.24227183 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Te Te1 1 3.57318387 3.57318387 3.57318387 1 Zr Zr2 1 5.35977580 5.35977580 5.35977580 1 Zr Zr3 1 1.78659193 1.78659193 1.78659194 1 [/CIF]
InTeZr2
Fm-3m
225
cubic
m-3m
7,732.233941
false
[CIF] data_SrSn2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56023247 _cell_length_b 4.56023247 _cell_length_c 4.81027458 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrSn2Pd _chemical_formula_sum 'Sr1 Sn2 Pd1' _cell_volume 100.03312416 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.28011623 2.28011623 0.00000000 1 Sn Sn1 1 2.28011623 0.00000000 2.40513729 1 Sn Sn2 1 0.00000000 2.28011623 2.40513729 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PdSn2Sr
P4/mmm
123
tetragonal
4/mmm
7,162.189442
false
[CIF] data_BeAl4Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03549563 _cell_length_b 5.03549563 _cell_length_c 5.03549563 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeAl4Rh _chemical_formula_sum 'Be1 Al4 Rh1' _cell_volume 90.28418326 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.45115958 2.67010664 2.67010664 1 Al Al1 1 2.67010664 2.67010664 4.45115958 1 Al Al2 1 2.67010664 4.45115958 2.67010664 1 Al Al3 1 4.45115958 4.45115958 4.45115958 1 Be Be4 1 -0.00000000 -0.00000000 0.00000000 1 Rh Rh5 1 1.78031655 1.78031655 1.78031655 1 [/CIF]
Al4BeRh
F-43m
216
cubic
-43m
4,043.446656
false
[CIF] data_Na2MnIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.03502550 _cell_length_b 4.08854754 _cell_length_c 8.06147434 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2MnIn _chemical_formula_sum 'Na2 Mn1 In1' _cell_volume 100.03359396 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.51751275 2.04427377 4.65573457 1 Mn Mn1 1 0.00000000 0.00000000 5.45525644 1 Na Na2 1 1.51751275 2.04427377 7.68656242 1 Na Na3 1 0.00000000 0.00000000 2.35613235 1 [/CIF]
InMnNa2
Pmm2
25
orthorhombic
mm2
3,581.170589
false
[CIF] data_BTe2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.10456704 _cell_length_b 4.10456704 _cell_length_c 7.29769155 _cell_angle_alpha 95.70160917 _cell_angle_beta 95.70160917 _cell_angle_gamma 48.86958324 _symmetry_Int_Tables_number 1 _chemical_formula_structural BTe2W _chemical_formula_sum 'B1 Te2 W1' _cell_volume 92.05292097 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.03461021 -0.00000000 4.59956863 1 Te Te1 1 -0.59753729 0.00000000 6.49144402 1 Te Te2 1 5.50143923 0.00000000 2.65012641 1 W W3 1 3.28144728 0.00000000 4.39414318 1 [/CIF]
BTe2W
Cm
8
monoclinic
m
8,114.844719
false
[CIF] data_ZrTc2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61521316 _cell_length_b 4.61521316 _cell_length_c 4.61521316 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTc2Br _chemical_formula_sum 'Zr1 Tc2 Br1' _cell_volume 69.51208164 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Tc Tc1 1 3.26344852 3.26344852 3.26344852 1 Tc Tc2 1 1.63172426 1.63172426 1.63172426 1 Zr Zr3 1 4.89517278 4.89517278 4.89517278 1 [/CIF]
BrTc2Zr
F-43m
216
cubic
-43m
8,813.431176
false
[CIF] data_LiCuP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.81231205 _cell_length_b 3.81231205 _cell_length_c 3.63372448 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCuP2 _chemical_formula_sum 'Li1 Cu1 P2' _cell_volume 52.81154566 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.90615603 1.90615603 0.00000000 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 P P2 1 0.00000000 1.90615603 1.81686224 1 P P3 1 1.90615603 0.00000000 1.81686224 1 [/CIF]
CuLiP2
P4/mmm
123
tetragonal
4/mmm
4,164.102719
false
[CIF] data_MgRe4W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18700864 _cell_length_b 5.18700864 _cell_length_c 5.18700864 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgRe4W _chemical_formula_sum 'Mg1 Re4 W1' _cell_volume 98.68153927 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 0.00000000 0.00000000 0.00000000 1 Re Re1 1 2.74623212 4.58930584 2.74623212 1 Re Re2 1 4.58930584 2.74623212 2.74623212 1 Re Re3 1 4.58930584 4.58930584 4.58930584 1 Re Re4 1 2.74623212 2.74623212 4.58930584 1 W W5 1 1.83388449 1.83388449 1.83388449 1 [/CIF]
MgRe4W
F-43m
216
cubic
-43m
16,035.916217
false
[CIF] data_PrCoO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.87478255 _cell_length_b 5.87478255 _cell_length_c 5.87478255 _cell_angle_alpha 55.70244764 _cell_angle_beta 55.70244764 _cell_angle_gamma 55.70244764 _symmetry_Int_Tables_number 1 _chemical_formula_structural PrCoO3 _chemical_formula_sum 'Pr2 Co2 O6' _cell_volume 129.07754283 _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 Co Co0 1 0.00000000 -0.00000000 12.51933043 1 Co Co1 1 0.00000000 0.00000000 2.32068257 1 O O2 1 -1.02157987 -1.91592958 8.55389949 1 O O3 1 -1.14845375 1.84267891 8.55389949 1 O O4 1 2.17003362 0.07325067 8.55389949 1 O O5 1 -2.17003362 -0.07325067 6.28611351 1 O O6 1 1.14845375 -1.84267891 6.28611351 1 O O7 1 1.02157987 1.91592958 6.28611351 1 Pr Pr8 1 -0.00000000 0.00000000 9.31470956 1 Pr Pr9 1 -0.00000000 0.00000000 5.52530344 1 [/CIF]
Co2O6Pr2
R-3
148
trigonal
-3
6,376.731505
false
[CIF] data_Hf2AsW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57422856 _cell_length_b 4.57422856 _cell_length_c 3.52553791 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2AsW _chemical_formula_sum 'Hf2 As1 W1' _cell_volume 73.76682839 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 0.00000000 0.00000000 0.00000000 1 Hf Hf1 1 0.00000000 2.28711428 1.76276896 1 Hf Hf2 1 2.28711428 0.00000000 1.76276896 1 W W3 1 2.28711428 2.28711428 0.00000000 1 [/CIF]
AsHf2W
P4/mmm
123
tetragonal
4/mmm
13,860.742072
false
[CIF] data_BeGeIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.94702257 _cell_length_b 2.94702257 _cell_length_c 5.92991698 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeGeIr2 _chemical_formula_sum 'Be1 Ge1 Ir2' _cell_volume 51.50098520 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 0.00000000 0.00000000 2.96495849 1 Ir Ir2 1 1.47351129 1.47351129 4.54292695 1 Ir Ir3 1 1.47351129 1.47351129 1.38699003 1 [/CIF]
BeGeIr2
P4/mmm
123
tetragonal
4/mmm
15,028.039362
false
[CIF] data_TaNbCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.79432171 _cell_length_b 2.79432171 _cell_length_c 7.84077938 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaNbCu2 _chemical_formula_sum 'Ta1 Nb1 Cu2' _cell_volume 61.22263872 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.17738564 1 Cu Cu1 1 1.39716086 1.39716086 1.77136575 1 Nb Nb2 1 0.00000000 0.00000000 3.74439626 1 Ta Ta3 1 1.39716086 1.39716086 6.06802135 1 [/CIF]
Cu2NbTa
P4mm
99
tetragonal
4mm
10,874.848622
false
[CIF] data_TlH _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.70117384 _cell_length_b 3.70117384 _cell_length_c 3.70117384 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlH _chemical_formula_sum 'Tl1 H1' _cell_volume 35.85117992 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy H H0 1 0.00000000 0.00000000 0.00000000 1 Tl Tl1 1 2.61712512 2.61712512 2.61712512 1 [/CIF]
HTl
Fm-3m
225
cubic
m-3m
9,513.22045
false
[CIF] data_Co6OsW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.22906555 _cell_length_b 6.22906555 _cell_length_c 10.17252022 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.57428024 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co6OsW _chemical_formula_sum 'Co24 Os4 W4' _cell_volume 371.89567172 _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 Co Co0 1 3.59177704 -2.52881568 7.61497469 1 Co Co1 1 1.80532369 -1.26703099 8.89832326 1 Co Co2 1 5.37823039 1.26703099 8.89832326 1 Co Co3 1 3.59177704 2.52881568 7.61497469 1 Co Co4 1 5.37823039 -1.26703099 8.89832326 1 Co Co5 1 1.80532369 1.26703099 8.89832326 1 Co Co6 1 0.00000000 0.00000000 5.08626011 1 Co Co7 1 5.38099840 1.27609600 6.36140678 1 Co Co8 1 5.38099840 -1.27609600 6.36140678 1 Co Co9 1 3.59177704 -2.52881568 2.55754553 1 Co Co10 1 1.80255568 -1.27609600 3.81111344 1 Co Co11 1 5.38099840 1.27609600 3.81111344 1 Co Co12 1 3.59177704 2.52881568 2.55754553 1 Co Co13 1 5.38099840 -1.27609600 3.81111344 1 Co Co14 1 1.80255568 1.27609600 3.81111344 1 Co Co15 1 0.00000000 0.00000000 0.00000000 1 Co Co16 1 5.37823039 1.26703099 1.27419696 1 Co Co17 1 5.37823039 -1.26703099 1.27419696 1 Co Co18 1 3.59177704 0.00000000 5.08626011 1 Co Co19 1 1.80255568 1.27609600 6.36140678 1 Co Co20 1 1.80255568 -1.27609600 6.36140678 1 Co Co21 1 3.59177704 0.00000000 0.00000000 1 Co Co22 1 1.80532369 1.26703099 1.27419696 1 Co Co23 1 1.80532369 -1.26703099 1.27419696 1 Os Os24 1 3.59177704 -2.58346642 5.08626011 1 Os Os25 1 3.59177704 2.58346642 5.08626011 1 Os Os26 1 3.59177704 0.00000000 7.61772351 1 Os Os27 1 3.59177704 0.00000000 2.55479671 1 W W28 1 3.59177704 -2.56949685 0.00000000 1 W W29 1 3.59177704 2.56949685 0.00000000 1 W W30 1 0.00000000 0.00000000 7.63782084 1 W W31 1 0.00000000 0.00000000 2.53469938 1 [/CIF]
Co24Os4W4
Cmmm
65
orthorhombic
mmm
12,996.366199
false
[CIF] data_PdRu2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.90692660 _cell_length_b 2.90692660 _cell_length_c 7.80628505 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PdRu2Br _chemical_formula_sum 'Pd1 Ru2 Br1' _cell_volume 65.96484368 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.00000000 0.00000000 3.69545280 1 Pd Pd1 1 1.45346330 1.45346330 6.06140868 1 Ru Ru2 1 0.00000000 0.00000000 0.18786949 1 Ru Ru3 1 1.45346330 1.45346330 1.76469660 1 [/CIF]
BrPdRu2
P4mm
99
tetragonal
4mm
9,778.839939
false
[CIF] data_K2Si4O9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.68776846 _cell_length_b 6.68776846 _cell_length_c 9.63837067 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2Si4O9 _chemical_formula_sum 'K4 Si8 O18' _cell_volume 373.33328688 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 -0.00000000 3.86118492 0.55356000 1 K K1 1 3.34388423 1.93059246 5.37274533 1 K K2 1 3.34388423 1.93059246 9.08481067 1 K K3 1 -0.00000000 3.86118492 4.26562533 1 O O4 1 3.04516983 0.42377115 2.40959267 1 O O5 1 0.29871440 5.36800623 7.22877800 1 O O6 1 4.79818696 2.42530886 2.40959267 1 O O7 1 2.18829590 2.94269737 2.40959267 1 O O8 1 1.15558833 2.84908001 7.22877800 1 O O9 1 -1.45430273 3.36646853 7.22877800 1 O O10 1 0.85653689 1.21054263 1.02175000 1 O O11 1 2.48734735 4.58123475 5.84093533 1 O O12 1 5.21113935 0.13651139 1.02175000 1 O O13 1 3.96397646 4.44472336 1.02175000 1 O O14 1 -0.62009223 1.34705402 5.84093533 1 O O15 1 -1.86725512 5.65526600 5.84093533 1 O O16 1 2.48734735 4.58123475 8.61662067 1 O O17 1 0.85653689 1.21054263 3.79743533 1 O O18 1 -1.86725512 5.65526600 8.61662067 1 O O19 1 -0.62009223 1.34705402 8.61662067 1 O O20 1 3.96397646 4.44472336 3.79743533 1 O O21 1 5.21113935 0.13651139 3.79743533 1 Si Si22 1 1.66484160 1.34933272 2.40959267 1 Si Si23 1 1.67904264 4.44244466 7.22877800 1 Si Si24 1 4.68679125 0.76712875 2.40959267 1 Si Si25 1 3.68001985 3.67531591 2.40959267 1 Si Si26 1 -0.33613562 2.11646148 7.22877800 1 Si Si27 1 -1.34290702 5.02464863 7.22877800 1 Si Si28 1 0.00000000 0.00000000 0.00000000 1 Si Si29 1 0.00000000 0.00000000 4.81918533 1 [/CIF]
K4O18Si8
P6_3/m
176
hexagonal
6/m
2,975.940497
false
[CIF] data_VGaPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.85759897 _cell_length_b 2.85759897 _cell_length_c 7.20339874 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VGaPd2 _chemical_formula_sum 'V1 Ga1 Pd2' _cell_volume 58.82203117 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.42879949 1.42879949 5.39127278 1 Pd Pd1 1 0.00000000 0.00000000 7.05280744 1 Pd Pd2 1 1.42879949 1.42879949 1.92128720 1 V V3 1 0.00000000 0.00000000 3.64312943 1 [/CIF]
GaPd2V
P4mm
99
tetragonal
4mm
9,414.902182
false
[CIF] data_HfHgMoPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68757465 _cell_length_b 4.68757465 _cell_length_c 4.68757465 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfHgMoPt _chemical_formula_sum 'Hf1 Hg1 Mo1 Pt1' _cell_volume 72.83323364 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 4.97192373 4.97192373 4.97192373 1 Hg Hg1 1 3.31461582 3.31461582 3.31461582 1 Mo Mo2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 1.65730791 1.65730791 1.65730791 1 [/CIF]
HfHgMoPt
F-43m
216
cubic
-43m
15,278.287477
false
[CIF] data_MgPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29471346 _cell_length_b 5.29471346 _cell_length_c 6.49676581 _cell_angle_alpha 102.15433344 _cell_angle_beta 102.15433344 _cell_angle_gamma 32.56230306 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgPd2 _chemical_formula_sum 'Mg2 Pd4' _cell_volume 95.63838705 _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 8.64074397 0.00000000 6.22532435 1 Mg Mg1 1 6.46668478 -0.00000000 2.27647057 1 Pd Pd2 1 3.66226043 0.00000000 1.68861238 1 Pd Pd3 1 -0.30954591 0.00000000 3.80151377 1 Pd Pd4 1 2.43604217 0.00000000 4.27703136 1 Pd Pd5 1 5.82968927 0.00000000 6.02884949 1 [/CIF]
Mg2Pd4
Cm
8
monoclinic
m
8,234.947265
false
[CIF] data_BaYGa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94285179 _cell_length_b 3.94285179 _cell_length_c 12.32461102 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.86555823 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaYGa2 _chemical_formula_sum 'Ba1 Y1 Ga2' _cell_volume 180.19780378 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 2.26531460 0.00000000 3.01117140 1 Ga Ga1 1 0.00000000 0.00000000 12.29606808 1 Ga Ga2 1 2.26531460 0.00000000 9.25747320 1 Y Y3 1 0.00000000 0.00000000 6.24681475 1 [/CIF]
BaGa2Y
Cmm2
35
orthorhombic
mm2
3,369.76369
false
[CIF] data_CrReW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12912806 _cell_length_b 5.12912806 _cell_length_c 5.12912806 _cell_angle_alpha 144.76347802 _cell_angle_beta 129.44958739 _cell_angle_gamma 63.11659801 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrReW2 _chemical_formula_sum 'Cr1 Re1 W2' _cell_volume 59.43658465 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.40388193 1 Re Re1 1 1.55245202 0.00000000 2.19755706 1 W W2 1 0.00000000 -0.00000000 8.72521985 1 W W3 1 -0.00000000 2.18996636 2.15562685 1 [/CIF]
CrReW2
Imm2
44
orthorhombic
mm2
16,927.16074
false
[CIF] data_InAsPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32884032 _cell_length_b 5.32884032 _cell_length_c 3.22216992 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InAsPb _chemical_formula_sum 'In1 As1 Pb1' _cell_volume 79.24000316 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 0.00000000 0.00000000 0.02460588 1 In In1 1 -0.00000000 3.07660739 0.75035866 1 Pb Pb2 1 2.66442016 1.53830370 2.44720541 1 [/CIF]
AsInPb
P3m1
156
trigonal
3m
8,318.193925
false
[CIF] data_Na2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.11744459 _cell_length_b 4.78856558 _cell_length_c 9.12860115 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2Pd _chemical_formula_sum 'Na8 Pd4' _cell_volume 267.41127580 _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 Na Na0 1 0.35871784 1.19714139 1.92259477 1 Na Na1 1 1.10994554 1.19714139 5.14794974 1 Na Na2 1 1.94877676 3.59142418 0.58364916 1 Na Na3 1 2.70000446 3.59142418 6.48689535 1 Na Na4 1 3.41744013 1.19714139 2.64170580 1 Na Na5 1 4.16866783 1.19714139 8.54495199 1 Na Na6 1 5.00749905 3.59142418 3.98065141 1 Na Na7 1 5.75872675 3.59142418 7.20600638 1 Pd Pd8 1 1.13929318 1.19714139 8.08802113 1 Pd Pd9 1 1.91942911 3.59142418 3.52372056 1 Pd Pd10 1 4.19801548 1.19714139 5.60488059 1 Pd Pd11 1 4.97815141 3.59142418 1.04058002 1 [/CIF]
Na8Pd4
Pnma
62
orthorhombic
mmm
3,785.41087
false
[CIF] data_CaSc2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40189286 _cell_length_b 3.40189286 _cell_length_c 8.66350014 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaSc2Pt _chemical_formula_sum 'Ca1 Sc2 Pt1' _cell_volume 100.26160445 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 0.00000000 0.00000000 4.33175007 1 Sc Sc2 1 1.70094643 1.70094643 5.84462132 1 Sc Sc3 1 1.70094643 1.70094643 2.81887882 1 [/CIF]
CaPtSc2
P4/mmm
123
tetragonal
4/mmm
5,383.893338
false
[CIF] data_CrGe2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82705355 _cell_length_b 2.82705355 _cell_length_c 8.08866370 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrGe2Au _chemical_formula_sum 'Cr1 Ge2 Au1' _cell_volume 64.64647504 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 0.00000000 0.00000000 4.04433185 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 Ge Ge2 1 1.41352678 1.41352678 1.65962215 1 Ge Ge3 1 1.41352678 1.41352678 6.42904155 1 [/CIF]
AuCrGe2
P4/mmm
123
tetragonal
4/mmm
10,126.698373
false
[CIF] data_Mg3RhC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85355985 _cell_length_b 4.85355985 _cell_length_c 4.85355985 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg3RhC _chemical_formula_sum 'Mg3 Rh1 C1' _cell_volume 114.33551915 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 2.42677992 0.00000000 2.42677992 1 Mg Mg1 1 2.42677992 2.42677992 0.00000000 1 Mg Mg2 1 0.00000000 2.42677992 2.42677992 1 Rh Rh3 1 2.42677992 2.42677992 2.42677992 1 C C4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CMg3Rh
Pm-3m
221
cubic
m-3m
2,727.94533
false
[CIF] data_Be2SbW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39809101 _cell_length_b 4.39809101 _cell_length_c 4.39809101 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2SbW _chemical_formula_sum 'Be2 Sb1 W1' _cell_volume 60.15581835 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Be Be1 1 1.55495999 1.55495999 1.55495999 1 Sb Sb2 1 3.10991998 3.10991998 3.10991998 1 W W3 1 4.66487997 4.66487997 4.66487997 1 [/CIF]
Be2SbW
F-43m
216
cubic
-43m
8,933.315414
false
[CIF] data_Al2SiMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.41416239 _cell_length_b 3.41416239 _cell_length_c 5.16664515 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2SiMo _chemical_formula_sum 'Al2 Si1 Mo1' _cell_volume 60.22502395 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 1.70708119 1.70708119 1.30943165 1 Al Al1 1 1.70708119 1.70708119 3.85721350 1 Mo Mo2 1 0.00000000 0.00000000 2.58332257 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al2MoSi
P4/mmm
123
tetragonal
4/mmm
4,908.099725
false
[CIF] data_KSnRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.81857812 _cell_length_b 6.81857812 _cell_length_c 6.81857812 _cell_angle_alpha 149.25704055 _cell_angle_beta 149.25704055 _cell_angle_gamma 44.03309236 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSnRu _chemical_formula_sum 'K1 Sn1 Ru1' _cell_volume 82.60342233 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 -0.00000000 0.00000000 12.60877003 1 Ru Ru1 1 -0.00000000 0.00000000 3.49296485 1 Sn Sn2 1 0.00000000 0.00000000 9.18361556 1 [/CIF]
KRuSn
I4mm
107
tetragonal
4mm
5,204.112839
false
[CIF] data_BOs2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23016882 _cell_length_b 4.23016882 _cell_length_c 4.23016882 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BOs2W _chemical_formula_sum 'B1 Os2 W1' _cell_volume 53.52517574 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 4.48677159 4.48677159 4.48677159 1 Os Os2 1 1.49559053 1.49559053 1.49559053 1 W W3 1 2.99118106 2.99118106 2.99118106 1 [/CIF]
BOs2W
Fm-3m
225
cubic
m-3m
17,841.964457
false
[CIF] data_Mn2MoOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58379669 _cell_length_b 4.58379669 _cell_length_c 4.58379669 _cell_angle_alpha 132.21968064 _cell_angle_beta 130.53562507 _cell_angle_gamma 71.22239034 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2MoOs _chemical_formula_sum 'Mn2 Mo1 Os1' _cell_volume 53.06721590 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 1.85636689 -0.00000000 1.85424023 1 Mn Mn1 1 -0.00000000 1.91775688 1.87232690 1 Mo Mo2 1 0.00000000 0.00000000 0.00000000 1 Os Os3 1 -0.00000000 -0.00000000 3.72656713 1 [/CIF]
Mn2MoOs
Immm
71
orthorhombic
mmm
12,393.399659
false
[CIF] data_KScZnNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93470349 _cell_length_b 4.93470349 _cell_length_c 4.93470349 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KScZnNi _chemical_formula_sum 'K1 Sc1 Zn1 Ni1' _cell_volume 84.97050302 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 0.00000000 0.00000000 0.00000000 1 Ni Ni1 1 5.23404345 5.23404345 5.23404345 1 Sc Sc2 1 3.48936230 3.48936230 3.48936230 1 Zn Zn3 1 1.74468115 1.74468115 1.74468115 1 [/CIF]
KNiScZn
F-43m
216
cubic
-43m
4,067.341234
false
[CIF] data_HfSiOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40535439 _cell_length_b 4.40535439 _cell_length_c 4.40535439 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfSiOs2 _chemical_formula_sum 'Hf1 Si1 Os2' _cell_volume 60.45434991 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.11505596 3.11505596 3.11505596 1 Os Os1 1 4.67258394 4.67258394 4.67258394 1 Os Os2 1 1.55752798 1.55752798 1.55752798 1 Si Si3 1 -0.00000000 -0.00000000 0.00000000 1 [/CIF]
HfOs2Si
Fm-3m
225
cubic
m-3m
16,124.499572
false
[CIF] data_MgZnCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06326686 _cell_length_b 5.06326686 _cell_length_c 5.06326686 _cell_angle_alpha 144.91884156 _cell_angle_beta 136.58938001 _cell_angle_gamma 56.98995464 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgZnCr _chemical_formula_sum 'Mg1 Zn1 Cr1' _cell_volume 50.86197939 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.08796343 1 Mg Mg1 1 0.00000000 0.00000000 2.94625033 1 Zn Zn2 1 -0.00000000 -0.00000000 5.86558092 1 [/CIF]
CrMgZn
Imm2
44
orthorhombic
mm2
4,625.596652
false
[CIF] data_La2ZnSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.40895849 _cell_length_b 7.40895849 _cell_length_c 7.40895849 _cell_angle_alpha 35.64039859 _cell_angle_beta 35.64039859 _cell_angle_gamma 35.64039859 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2ZnSi _chemical_formula_sum 'La2 Zn1 Si1' _cell_volume 123.43215044 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 0.00000000 0.00000000 5.40492345 1 La La1 1 -0.00000000 -0.00000000 15.38792045 1 Si Si2 1 -0.00000000 -0.00000000 -0.00000000 1 Zn Zn3 1 -0.00000000 -0.00000000 10.39642195 1 [/CIF]
La2SiZn
R-3m
166
trigonal
-3m
4,994.801037
false
[CIF] data_Al2AsSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15297927 _cell_length_b 5.15297927 _cell_length_c 3.45845458 _cell_angle_alpha 109.55108677 _cell_angle_beta 109.55108677 _cell_angle_gamma 88.35344024 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2AsSe _chemical_formula_sum 'Al2 As1 Se1' _cell_volume 81.18956194 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 1.04097392 -1.79548801 1.52944115 1 Al Al1 1 1.04097392 1.79548801 1.52944115 1 As As2 1 0.00000000 0.00000000 0.00000000 1 Se Se3 1 3.69568485 -0.00000000 0.00000000 1 [/CIF]
Al2AsSe
C2/m
12
monoclinic
2/m
4,250.967711
false
[CIF] data_BaLaIrPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08897729 _cell_length_b 5.08897729 _cell_length_c 5.08897729 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLaIrPt _chemical_formula_sum 'Ba1 La1 Ir1 Pt1' _cell_volume 93.19155108 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 5.39767553 5.39767553 5.39767553 1 La La2 1 1.79922517 1.79922517 1.79922518 1 Pt Pt3 1 3.59845035 3.59845035 3.59845035 1 [/CIF]
BaIrLaPt
F-43m
216
cubic
-43m
11,823.209681
false
[CIF] data_Sr2MgRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43062034 _cell_length_b 5.43062034 _cell_length_c 5.43062034 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2MgRe _chemical_formula_sum 'Sr2 Mg1 Re1' _cell_volume 113.24872660 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 0.00000000 0.00000000 0.00000000 1 Re Re1 1 3.84002847 3.84002847 3.84002847 1 Sr Sr2 1 5.76004270 5.76004270 5.76004270 1 Sr Sr3 1 1.92001423 1.92001423 1.92001423 1 [/CIF]
MgReSr2
Fm-3m
225
cubic
m-3m
5,656.189568
false
[CIF] data_NbIrF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31833929 _cell_length_b 4.31833929 _cell_length_c 4.31833929 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbIrF3 _chemical_formula_sum 'Nb1 Ir1 F3' _cell_volume 80.52862524 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy F F0 1 0.00000000 2.15916964 2.15916964 1 F F1 1 2.15916964 0.00000000 2.15916964 1 F F2 1 2.15916964 2.15916964 0.00000000 1 Ir Ir3 1 2.15916964 2.15916964 2.15916964 1 Nb Nb4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
F3IrNb
Pm-3m
221
cubic
m-3m
7,054.650216
false
[CIF] data_La2GaHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.83599841 _cell_length_b 5.28349847 _cell_length_c 5.54109091 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.56216704 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2GaHg _chemical_formula_sum 'La2 Ga1 Hg1' _cell_volume 112.29860846 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.37786230 0.00000000 2.35463347 1 Hg Hg1 1 1.43052080 2.64174923 4.53167804 1 La La2 1 3.35853418 0.00000000 5.06739429 1 La La3 1 3.28716258 2.64174923 1.89835469 1 [/CIF]
GaHgLa2
Pm
6
monoclinic
m
8,105.008853
false
[CIF] data_PrAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30513121 _cell_length_b 4.30513121 _cell_length_c 4.30513121 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PrAs _chemical_formula_sum 'Pr1 As1' _cell_volume 56.42144152 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 0.00000000 0.00000000 0.00000000 1 Pr Pr1 1 3.04418747 3.04418747 3.04418747 1 [/CIF]
AsPr
Fm-3m
225
cubic
m-3m
6,352.069208
false
[CIF] data_CdFeAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85702731 _cell_length_b 4.85702731 _cell_length_c 2.97173083 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdFeAu2 _chemical_formula_sum 'Cd1 Fe1 Au2' _cell_volume 70.10525296 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 0.00000000 2.42851366 1.48586541 1 Au Au1 1 2.42851366 0.00000000 1.48586541 1 Cd Cd2 1 2.42851366 2.42851366 0.00000000 1 Fe Fe3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2CdFe
P4/mmm
123
tetragonal
4/mmm
13,316.220784
false
[CIF] data_Al2InCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66997185 _cell_length_b 4.66997185 _cell_length_c 4.66997185 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2InCu _chemical_formula_sum 'Al2 In1 Cu1' _cell_volume 72.01579993 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Al Al1 1 4.95325314 4.95325314 4.95325314 1 Cu Cu2 1 3.30216876 3.30216876 3.30216876 1 In In3 1 1.65108438 1.65108438 1.65108438 1 [/CIF]
Al2CuIn
F-43m
216
cubic
-43m
5,356.993719
false
[CIF] data_InRe2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.91495468 _cell_length_b 4.02885173 _cell_length_c 5.80713570 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InRe2W _chemical_formula_sum 'In1 Re2 W1' _cell_volume 68.19853828 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Re Re1 1 1.45747734 2.01442586 1.66736948 1 Re Re2 1 1.45747734 2.01442586 4.13976622 1 W W3 1 0.00000000 0.00000000 2.90356785 1 [/CIF]
InRe2W
Pmmm
47
orthorhombic
mmm
16,339.665051
false
[CIF] data_LiInBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22857888 _cell_length_b 4.39430035 _cell_length_c 6.94018327 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiInBr2 _chemical_formula_sum 'Li1 In1 Br2' _cell_volume 128.96002629 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.11428944 2.19715017 5.98058134 1 Br Br1 1 0.00000000 0.00000000 3.20181816 1 In In2 1 2.11428944 2.19715017 2.46393426 1 Li Li3 1 0.00000000 0.00000000 5.70412441 1 [/CIF]
Br2InLi
Pmm2
25
orthorhombic
mm2
3,625.565354
false
[CIF] data_TlGaSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62257605 _cell_length_b 4.62257605 _cell_length_c 4.63837006 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlGaSe2 _chemical_formula_sum 'Tl1 Ga1 Se2' _cell_volume 99.11366243 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Se Se1 1 0.00000000 2.31128803 2.31918503 1 Se Se2 1 2.31128803 0.00000000 2.31918503 1 Tl Tl3 1 2.31128803 2.31128803 0.00000000 1 [/CIF]
GaSe2Tl
P4/mmm
123
tetragonal
4/mmm
7,238.119663
false
[CIF] data_ReGeP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.57565068 _cell_length_b 8.57565068 _cell_length_c 8.57565068 _cell_angle_alpha 20.21851373 _cell_angle_beta 20.21851373 _cell_angle_gamma 20.21851373 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReGeP2 _chemical_formula_sum 'Re1 Ge1 P2' _cell_volume 65.91209360 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 P P1 1 0.00000000 0.00000000 5.91866276 1 P P2 1 -0.00000000 -0.00000000 19.27432853 1 Re Re3 1 0.00000000 -0.00000000 12.59649564 1 [/CIF]
GeP2Re
R-3m
166
trigonal
-3m
8,081.852822
false
[CIF] data_LiLaCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.70129921 _cell_length_b 5.70129921 _cell_length_c 5.70129921 _cell_angle_alpha 146.07769239 _cell_angle_beta 130.08608630 _cell_angle_gamma 61.72311700 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiLaCd _chemical_formula_sum 'Li1 La1 Cd1' _cell_volume 78.32400040 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.76202619 1 La La1 1 -0.00000000 0.00000000 6.46829838 1 Li Li2 1 0.00000000 -0.00000000 3.34586763 1 [/CIF]
CdLaLi
Imm2
44
orthorhombic
mm2
5,475.290026
false
[CIF] data_KTcMo4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.35269661 _cell_length_b 5.35269661 _cell_length_c 5.35269661 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTcMo4 _chemical_formula_sum 'K1 Tc1 Mo4' _cell_volume 108.44334046 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 0.00000000 0.00000000 0.00000000 1 Mo Mo1 1 4.73148039 4.73148039 2.83837575 1 Mo Mo2 1 4.73148039 2.83837575 4.73148039 1 Mo Mo3 1 2.83837575 4.73148039 4.73148039 1 Mo Mo4 1 2.83837575 2.83837575 2.83837575 1 Tc Tc5 1 5.67739211 5.67739211 5.67739211 1 [/CIF]
KMo4Tc
F-43m
216
cubic
-43m
7,990.745908
false
[CIF] data_GaSbPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.29296284 _cell_length_b 6.29296284 _cell_length_c 6.29296284 _cell_angle_alpha 150.78668623 _cell_angle_beta 150.78668623 _cell_angle_gamma 41.78784533 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaSbPd _chemical_formula_sum 'Ga1 Sb1 Pd1' _cell_volume 59.22600900 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 11.43251692 1 Pd Pd1 1 0.00000000 -0.00000000 4.07513618 1 Sb Sb2 1 -0.00000000 -0.00000000 8.00895542 1 [/CIF]
GaPdSb
I4mm
107
tetragonal
4mm
8,352.404255
false
[CIF] data_LiNbPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.46681534 _cell_length_b 3.46681534 _cell_length_c 5.31054573 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiNbPt2 _chemical_formula_sum 'Li1 Nb1 Pt2' _cell_volume 63.82643270 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.00000000 0.00000000 2.46372121 1 Nb Nb1 1 1.73340767 1.73340767 4.10020980 1 Pt Pt2 1 0.00000000 0.00000000 5.17753477 1 Pt Pt3 1 1.73340767 1.73340767 1.53489848 1 [/CIF]
LiNbPt2
P4mm
99
tetragonal
4mm
12,748.475002
false
[CIF] data_Sr2ErIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.84752135 _cell_length_b 5.84752135 _cell_length_c 5.84752135 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2ErIn _chemical_formula_sum 'Sr2 Er1 In1' _cell_volume 141.38406063 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Er Er0 1 4.13482200 4.13482200 4.13482200 1 In In1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 2.06741100 2.06741100 2.06741100 1 Sr Sr3 1 6.20223300 6.20223300 6.20223300 1 [/CIF]
ErInSr2
Fm-3m
225
cubic
m-3m
5,371.134065
false
[CIF] data_BeFeOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.83227626 _cell_length_b 3.83227626 _cell_length_c 2.58912696 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeFeOs _chemical_formula_sum 'Be1 Fe1 Os1' _cell_volume 32.93044467 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Fe Fe1 1 0.00000000 2.21256573 0.00000000 1 Os Os2 1 1.91613813 1.10628286 1.29456348 1 [/CIF]
BeFeOs
P-6m2
187
hexagonal
-6m2
12,862.936864
false
[CIF] data_K2SiAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.41375412 _cell_length_b 6.41375412 _cell_length_c 2.90077014 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2SiAu _chemical_formula_sum 'K2 Si1 Au1' _cell_volume 119.32678221 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.20687706 3.20687706 0.00000000 1 K K1 1 3.20687706 0.00000000 1.45038507 1 K K2 1 0.00000000 3.20687706 1.45038507 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuK2Si
P4/mmm
123
tetragonal
4/mmm
4,219.976877
false
[CIF] data_ZrTaTiBe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56822563 _cell_length_b 4.56822563 _cell_length_c 4.56822563 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTaTiBe _chemical_formula_sum 'Zr1 Ta1 Ti1 Be1' _cell_volume 67.41051422 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ta Ta1 1 4.84533498 4.84533498 4.84533498 1 Ti Ti2 1 1.61511166 1.61511166 1.61511166 1 Zr Zr3 1 3.23022332 3.23022332 3.23022332 1 [/CIF]
BeTaTiZr
F-43m
216
cubic
-43m
8,105.592276
false
[CIF] data_FeRuPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.31658972 _cell_length_b 8.31658972 _cell_length_c 8.31658972 _cell_angle_alpha 22.73704515 _cell_angle_beta 22.73704515 _cell_angle_gamma 22.73704515 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeRuPb2 _chemical_formula_sum 'Fe1 Ru1 Pb2' _cell_volume 75.39292500 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 -0.00000000 0.00000000 6.13988579 1 Pb Pb2 1 -0.00000000 -0.00000000 18.15499284 1 Ru Ru3 1 -0.00000000 0.00000000 12.14743931 1 [/CIF]
FePb2Ru
R-3m
166
trigonal
-3m
12,583.287846
false
[CIF] data_VAgRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.10134771 _cell_length_b 6.07396142 _cell_length_c 2.82272192 _cell_angle_alpha 77.13594430 _cell_angle_beta 76.05444001 _cell_angle_gamma 26.80961569 _symmetry_Int_Tables_number 1 _chemical_formula_structural VAgRh _chemical_formula_sum 'V1 Ag1 Rh1' _cell_volume 45.78371763 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.95375568 2.03730159 11.47370155 1 Rh Rh1 1 1.95375568 2.03730159 7.86499873 1 V V2 1 1.95375568 2.03730159 3.66594136 1 [/CIF]
AgRhV
Fmm2
42
orthorhombic
mm2
9,492.20239
false
[CIF] data_TiBeHgS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48409993 _cell_length_b 4.48409993 _cell_length_c 4.48409993 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiBeHgS _chemical_formula_sum 'Ti1 Be1 Hg1 S1' _cell_volume 63.75450092 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Hg Hg1 1 1.58536874 1.58536874 1.58536874 1 S S2 1 4.75610621 4.75610621 4.75610621 1 Ti Ti3 1 3.17073747 3.17073747 3.17073747 1 [/CIF]
BeHgSTi
F-43m
216
cubic
-43m
7,541.158873
false
[CIF] data_Rb2ReRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.77088370 _cell_length_b 5.77088370 _cell_length_c 5.77088370 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb2ReRu _chemical_formula_sum 'Rb2 Re1 Ru1' _cell_volume 135.89765702 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.04031550 2.04031550 2.04031550 1 Rb Rb1 1 6.12094650 6.12094650 6.12094650 1 Re Re2 1 4.08063100 4.08063100 4.08063100 1 Ru Ru3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Rb2ReRu
Fm-3m
225
cubic
m-3m
5,598.918626
false
[CIF] data_GeTeAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.96087132 _cell_length_b 5.96087132 _cell_length_c 5.96087132 _cell_angle_alpha 145.54398229 _cell_angle_beta 145.54398229 _cell_angle_gamma 49.52460214 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeTeAs _chemical_formula_sum 'Ge1 Te1 As1' _cell_volume 67.48346135 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.51231732 1 Ge Ge1 1 0.00000000 -0.00000000 3.94032992 1 Te Te2 1 0.00000000 0.00000000 7.19850763 1 [/CIF]
AsGeTe
I4mm
107
tetragonal
4mm
6,770.793574
false
[CIF] data_LaCdNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.20689425 _cell_length_b 6.20689425 _cell_length_c 6.20689425 _cell_angle_alpha 147.70003052 _cell_angle_beta 147.70003052 _cell_angle_gamma 46.32837900 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCdNi _chemical_formula_sum 'La1 Cd1 Ni1' _cell_volume 68.03703610 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.33304076 1 La La1 1 0.00000000 0.00000000 3.54324509 1 Ni Ni2 1 0.00000000 -0.00000000 7.53672013 1 [/CIF]
CdLaNi
I4mm
107
tetragonal
4mm
7,566.295935
false
[CIF] data_ReTcSnIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50317524 _cell_length_b 4.50317524 _cell_length_c 4.50317524 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReTcSnIr _chemical_formula_sum 'Re1 Tc1 Sn1 Ir1' _cell_volume 64.57159971 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 1.59211287 1.59211287 1.59211287 1 Re Re1 1 4.77633863 4.77633863 4.77633863 1 Sn Sn2 1 3.18422575 3.18422575 3.18422575 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrReSnTc
F-43m
216
cubic
-43m
15,327.915707
false
[CIF] data_SrZnWAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95187966 _cell_length_b 4.95187966 _cell_length_c 4.95187966 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrZnWAu _chemical_formula_sum 'Sr1 Zn1 W1 Au1' _cell_volume 85.86086296 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.50150769 3.50150769 3.50150769 1 Sr Sr1 1 1.75075384 1.75075384 1.75075385 1 W W2 1 5.25226153 5.25226153 5.25226153 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuSrWZn
F-43m
216
cubic
-43m
10,323.75673
false
[CIF] data_TmAgO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99836600 _cell_length_b 3.99836600 _cell_length_c 3.99836600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TmAgO3 _chemical_formula_sum 'Tm1 Ag1 O3' _cell_volume 63.92160004 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 O O1 1 0.00000000 0.00000000 1.99918300 1 O O2 1 1.99918300 0.00000000 0.00000000 1 O O3 1 0.00000000 1.99918300 0.00000000 1 Tm Tm4 1 1.99918300 1.99918300 1.99918300 1 [/CIF]
AgO3Tm
Pm-3m
221
cubic
m-3m
8,437.58763
false