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_MnRe2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.72889141 _cell_length_b 2.72889141 _cell_length_c 6.56841010 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnRe2B _chemical_formula_sum 'Mn1 Re2 B1' _cell_volume 48.91395377 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.28485263 1 Mn Mn1 1 1.36444571 1.36444571 4.90990389 1 Re Re2 1 0.00000000 0.00000000 6.55534671 1 Re Re3 1 1.36444571 1.36444571 1.67092202 1 [/CIF]
BMnRe2
P4mm
99
tetragonal
4mm
14,874.832184
false
[CIF] data_TiCoBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.27888742 _cell_length_b 3.27888742 _cell_length_c 8.38532942 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCoBi2 _chemical_formula_sum 'Ti1 Co1 Bi2' _cell_volume 90.15153761 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 1.63944371 1.63944371 7.74833502 1 Bi Bi1 1 0.00000000 0.00000000 2.79551655 1 Co Co2 1 1.63944371 1.63944371 4.70803930 1 Ti Ti3 1 0.00000000 0.00000000 5.71143260 1 [/CIF]
Bi2CoTi
P4mm
99
tetragonal
4mm
9,666.406903
false
[CIF] data_NaNiPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64422235 _cell_length_b 4.64422235 _cell_length_c 4.64422235 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaNiPb _chemical_formula_sum 'Na1 Ni1 Pb1' _cell_volume 70.83110479 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 0.00000000 0.00000000 0.00000000 1 Ni Ni1 1 3.28396112 3.28396112 3.28396112 1 Pb Pb2 1 4.92594168 4.92594168 4.92594168 1 [/CIF]
NaNiPb
F-43m
216
cubic
-43m
6,772.473614
false
[CIF] data_Li2AlAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44246758 _cell_length_b 4.44246758 _cell_length_c 4.44246758 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2AlAg _chemical_formula_sum 'Li2 Al1 Ag1' _cell_volume 61.99516256 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.14129895 3.14129895 3.14129895 1 Al Al1 1 0.00000000 0.00000000 0.00000000 1 Li Li2 1 1.57064948 1.57064948 1.57064947 1 Li Li3 1 4.71194843 4.71194843 4.71194843 1 [/CIF]
AgAlLi2
Fm-3m
225
cubic
m-3m
3,983.77635
false
[CIF] data_VZnGaIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32024215 _cell_length_b 4.32024215 _cell_length_c 4.32024215 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VZnGaIr _chemical_formula_sum 'V1 Zn1 Ga1 Ir1' _cell_volume 57.01764440 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 3.05487252 3.05487252 3.05487252 1 Ir Ir1 1 1.52743626 1.52743626 1.52743626 1 V V2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 4.58230878 4.58230878 4.58230878 1 [/CIF]
GaIrVZn
F-43m
216
cubic
-43m
11,016.203926
false
[CIF] data_SrMnCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59636262 _cell_length_b 4.59636262 _cell_length_c 4.59636262 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrMnCo _chemical_formula_sum 'Sr1 Mn1 Co1' _cell_volume 68.66380331 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.62505959 1.62505959 1.62505959 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 3.25011918 3.25011918 3.25011918 1 [/CIF]
CoMnSr
F-43m
216
cubic
-43m
4,872.786817
false
[CIF] data_MgScAl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.03227415 _cell_length_b 4.21236542 _cell_length_c 6.04945350 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgScAl2 _chemical_formula_sum 'Mg1 Sc1 Al2' _cell_volume 77.26995251 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.51613708 2.10618271 4.52171647 1 Al Al1 1 1.51613708 2.10618271 1.52773703 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Sc Sc3 1 0.00000000 0.00000000 3.02472675 1 [/CIF]
Al2MgSc
Pmmm
47
orthorhombic
mmm
2,648.095946
false
[CIF] data_InSnSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16302278 _cell_length_b 5.16302278 _cell_length_c 5.16302278 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InSnSe2 _chemical_formula_sum 'In1 Sn1 Se2' _cell_volume 97.31888521 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Se Se1 1 1.82540421 1.82540421 1.82540421 1 Se Se2 1 5.47621263 5.47621263 5.47621263 1 Sn Sn3 1 3.65080842 3.65080842 3.65080842 1 [/CIF]
InSe2Sn
Fm-3m
225
cubic
m-3m
6,679.255622
false
[CIF] data_Nb2In2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.61039610 _cell_length_b 7.61039610 _cell_length_c 7.61039610 _cell_angle_alpha 149.72180703 _cell_angle_beta 149.72180703 _cell_angle_gamma 43.34991353 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2In2Sn _chemical_formula_sum 'Nb2 In2 Sn1' _cell_volume 111.75297188 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.98755578 3.53614808 1 In In1 1 1.98755578 0.00000000 3.53614807 1 Nb Nb2 1 0.00000000 0.00000000 8.33641972 1 Nb Nb3 1 0.00000000 -0.00000000 5.80817258 1 Sn Sn4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
In2Nb2Sn
I4/mmm
139
tetragonal
4/mmm
7,937.072937
false
[CIF] data_Si2SnPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.14542167 _cell_length_b 3.14542167 _cell_length_c 7.36303790 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si2SnPt _chemical_formula_sum 'Si2 Sn1 Pt1' _cell_volume 72.84752213 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.57271083 1.57271083 5.96498056 1 Si Si1 1 0.00000000 0.00000000 7.25001431 1 Si Si2 1 1.57271083 1.57271083 1.33487283 1 Sn Sn3 1 0.00000000 0.00000000 3.85772698 1 [/CIF]
PtSi2Sn
P4mm
99
tetragonal
4mm
8,433.253231
false
[CIF] data_Na2TlIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.06374206 _cell_length_b 4.06374206 _cell_length_c 4.93951022 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2TlIr _chemical_formula_sum 'Na2 Tl1 Ir1' _cell_volume 81.57106945 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Na Na1 1 0.00000000 2.03187103 2.46975511 1 Na Na2 1 2.03187103 0.00000000 2.46975511 1 Tl Tl3 1 2.03187103 2.03187103 0.00000000 1 [/CIF]
IrNa2Tl
P4/mmm
123
tetragonal
4/mmm
9,009.580443
false
[CIF] data_CdBrCl4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.83979663 _cell_length_b 5.83979663 _cell_length_c 5.83979663 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdBrCl4 _chemical_formula_sum 'Cd1 Br1 Cl4' _cell_volume 140.82448519 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cd Cd1 1 2.06467990 2.06467990 2.06467990 1 Cl Cl2 1 3.09873962 3.09873962 5.15997998 1 Cl Cl3 1 3.09873962 5.15997998 3.09873962 1 Cl Cl4 1 5.15997998 3.09873962 3.09873962 1 Cl Cl5 1 5.15997998 5.15997998 5.15997998 1 [/CIF]
BrCdCl4
F-43m
216
cubic
-43m
3,939.875484
false
[CIF] data_MoPdCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.98414257 _cell_length_b 4.15749637 _cell_length_c 5.52833963 _cell_angle_alpha 90.00000000 _cell_angle_beta 95.78272582 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MoPdCl2 _chemical_formula_sum 'Mo1 Pd1 Cl2' _cell_volume 68.23865398 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.04082663 2.07874818 4.17296838 1 Cl Cl1 1 0.38630064 2.07874818 1.32723825 1 Mo Mo2 1 0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 1.21356364 0.00000000 2.75010332 1 [/CIF]
Cl2MoPd
P2/m
10
monoclinic
2/m
6,650.220262
false
[CIF] data_BeAg2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37776049 _cell_length_b 4.37776049 _cell_length_c 4.37776049 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeAg2Ir _chemical_formula_sum 'Be1 Ag2 Ir1' _cell_volume 59.32544366 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.09554413 3.09554413 3.09554413 1 Ag Ag1 1 1.54777207 1.54777206 1.54777206 1 Be Be2 1 0.00000000 0.00000000 0.00000000 1 Ir Ir3 1 4.64331619 4.64331619 4.64331619 1 [/CIF]
Ag2BeIr
F-43m
216
cubic
-43m
11,671.006497
false
[CIF] data_Nb2CuTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.74043970 _cell_length_b 4.58280583 _cell_length_c 5.12426973 _cell_angle_alpha 90.00000000 _cell_angle_beta 97.46419116 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2CuTc _chemical_formula_sum 'Nb2 Cu1 Tc1' _cell_volume 63.80987626 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.40981900 0.00000000 3.90369253 1 Nb Nb1 1 2.05162916 2.29140291 4.96468688 1 Nb Nb2 1 1.83193223 0.00000000 1.41129549 1 Tc Tc3 1 0.89352858 2.29140291 2.42244489 1 [/CIF]
CuNb2Tc
Pm
6
monoclinic
m
9,062.979048
false
[CIF] data_MgSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.12879791 _cell_length_b 8.12879791 _cell_length_c 2.79347147 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgSi2 _chemical_formula_sum 'Mg3 Si6' _cell_volume 159.85547870 _cell_formula_units_Z 3 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 0.00000000 4.69316366 1.39673574 1 Mg Mg1 1 4.06439896 2.34658183 1.39673574 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Si Si3 1 2.45832606 0.00000000 1.39673574 1 Si Si4 1 -1.22916303 2.12897282 1.39673574 1 Si Si5 1 2.83523592 4.91077267 1.39673574 1 Si Si6 1 4.72695398 0.00000000 0.00000000 1 Si Si7 1 -2.36347699 4.09366223 0.00000000 1 Si Si8 1 1.70092196 2.94608326 0.00000000 1 [/CIF]
Mg3Si6
P-62m
189
hexagonal
-6m2
2,507.894185
false
[CIF] data_La2MnBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40090282 _cell_length_b 5.40090282 _cell_length_c 5.40090282 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2MnBi _chemical_formula_sum 'La2 Mn1 Bi1' _cell_volume 111.39971803 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.81901501 3.81901501 3.81901501 1 La La1 1 1.90950751 1.90950751 1.90950751 1 La La2 1 5.72852252 5.72852252 5.72852252 1 Mn Mn3 1 0.00000000 -0.00000000 0.00000000 1 [/CIF]
BiLa2Mn
Fm-3m
225
cubic
m-3m
8,075.090523
false
[CIF] data_La3SiSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.91815238 _cell_length_b 5.91815238 _cell_length_c 5.91815238 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La3SiSb _chemical_formula_sum 'La3 Si1 Sb1' _cell_volume 207.28049133 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.95907619 2.95907619 2.95907619 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 La La2 1 2.95907619 0.00000000 2.95907619 1 La La3 1 2.95907619 2.95907619 0.00000000 1 La La4 1 0.00000000 2.95907619 2.95907619 1 [/CIF]
La3SbSi
Pm-3m
221
cubic
m-3m
4,538.768599
false
[CIF] data_LaAlFeSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89214676 _cell_length_b 4.89214676 _cell_length_c 4.89214676 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaAlFeSn _chemical_formula_sum 'La1 Al1 Fe1 Sn1' _cell_volume 82.79105822 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Fe Fe1 1 1.72963507 1.72963507 1.72963507 1 La La2 1 5.18890523 5.18890523 5.18890523 1 Sn Sn3 1 3.45927015 3.45927015 3.45927015 1 [/CIF]
AlFeLaSn
F-43m
216
cubic
-43m
6,828.240481
false
[CIF] data_Sr3Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.06248742 _cell_length_b 4.17472984 _cell_length_c 9.57247080 _cell_angle_alpha 90.00000000 _cell_angle_beta 93.30280730 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr3Ag _chemical_formula_sum 'Sr3 Ag1' _cell_volume 162.07741082 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.27574910 0.00000000 4.77828544 1 Sr Sr1 1 1.87567936 2.08736492 2.98499310 1 Sr Sr2 1 0.00000000 0.00000000 0.00000000 1 Sr Sr3 1 1.63530985 2.08736492 6.57157778 1 [/CIF]
AgSr3
P2/m
10
monoclinic
2/m
3,798.238484
false
[CIF] data_Cu4AgTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05341748 _cell_length_b 5.05341748 _cell_length_c 5.05341748 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu4AgTe _chemical_formula_sum 'Cu4 Ag1 Te1' _cell_volume 91.25161040 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 4.47016562 4.47016562 2.67644592 1 Cu Cu2 1 4.47016562 2.67644592 4.47016562 1 Cu Cu3 1 2.67644592 4.47016562 4.47016562 1 Cu Cu4 1 2.67644592 2.67644592 2.67644592 1 Te Te5 1 5.35995865 5.35995865 5.35995866 1 [/CIF]
AgCu4Te
F-43m
216
cubic
-43m
8,910.380908
false
[CIF] data_CuSnP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51821406 _cell_length_b 4.51821406 _cell_length_c 5.91972891 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuSnP _chemical_formula_sum 'Cu2 Sn2 P2' _cell_volume 104.65646373 _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 Cu Cu0 1 2.25910703 1.30429605 4.43979668 1 Cu Cu1 1 -0.00000000 2.60859210 1.47993223 1 P P2 1 0.00000000 0.00000000 2.95986445 1 P P3 1 0.00000000 0.00000000 0.00000000 1 Sn Sn4 1 2.25910703 1.30429605 1.47993223 1 Sn Sn5 1 -0.00000000 2.60859210 4.43979668 1 [/CIF]
Cu2P2Sn2
P6_3/mmc
194
hexagonal
6/mmm
6,767.268115
false
[CIF] data_SrCr2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73728630 _cell_length_b 4.73728630 _cell_length_c 2.87781922 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCr2Rh _chemical_formula_sum 'Sr1 Cr2 Rh1' _cell_volume 64.58367788 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.36864315 1.43890961 1 Cr Cr1 1 2.36864315 0.00000000 1.43890961 1 Rh Rh2 1 2.36864315 2.36864315 0.00000000 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cr2RhSr
P4/mmm
123
tetragonal
4/mmm
7,572.47284
false
[CIF] data_Y2BPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82540840 _cell_length_b 4.82540840 _cell_length_c 4.82540840 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2BPt _chemical_formula_sum 'Y2 B1 Pt1' _cell_volume 79.44877937 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 3.41207900 3.41207900 3.41207900 1 Y Y2 1 1.70603950 1.70603950 1.70603950 1 Y Y3 1 5.11811850 5.11811850 5.11811850 1 [/CIF]
BPtY2
Fm-3m
225
cubic
m-3m
8,019.757767
false
[CIF] data_HfReHgPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81569237 _cell_length_b 4.81569237 _cell_length_c 4.81569237 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfReHgPb _chemical_formula_sum 'Hf1 Re1 Hg1 Pb1' _cell_volume 78.96983127 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 0.00000000 0.00000000 0.00000000 1 Hg Hg1 1 5.10781310 5.10781309 5.10781310 1 Pb Pb2 1 1.70260436 1.70260436 1.70260437 1 Re Re3 1 3.40520873 3.40520873 3.40520873 1 [/CIF]
HfHgPbRe
F-43m
216
cubic
-43m
16,243.479584
false
[CIF] data_V2CuPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.83071465 _cell_length_b 3.35284795 _cell_length_c 5.74153573 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2CuPd _chemical_formula_sum 'V2 Cu1 Pd1' _cell_volume 54.49266190 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.81129176 1 Pd Pd1 1 1.41535732 1.67642398 4.28030702 1 V V2 1 0.00000000 0.00000000 0.04685633 1 V V3 1 1.41535732 1.67642398 1.47384849 1 [/CIF]
CuPdV2
Pmm2
25
orthorhombic
mm2
8,283.975658
false
[CIF] data_BeCrIrOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16652621 _cell_length_b 4.16652621 _cell_length_c 4.16652621 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeCrIrOs _chemical_formula_sum 'Be1 Cr1 Ir1 Os1' _cell_volume 51.14549167 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.47308947 1.47308947 1.47308947 1 Ir Ir2 1 4.41926841 4.41926841 4.41926841 1 Os Os3 1 2.94617894 2.94617894 2.94617894 1 [/CIF]
BeCrIrOs
F-43m
216
cubic
-43m
14,397.648669
false
[CIF] data_Ag2MoCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.94345236 _cell_length_b 2.94345236 _cell_length_c 8.80911923 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag2MoCl _chemical_formula_sum 'Ag2 Mo1 Cl1' _cell_volume 76.32143201 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.58513363 1 Ag Ag1 1 1.47172618 1.47172618 1.83526944 1 Cl Cl2 1 0.00000000 0.00000000 5.05443213 1 Mo Mo3 1 1.47172618 1.47172618 6.54796288 1 [/CIF]
Ag2ClMo
P4mm
99
tetragonal
4mm
7,552.991676
false
[CIF] data_FeCuOsRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19669604 _cell_length_b 4.19669604 _cell_length_c 4.19669604 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeCuOsRh _chemical_formula_sum 'Fe1 Cu1 Os1 Rh1' _cell_volume 52.26459003 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.96751223 2.96751223 2.96751223 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 4.45126834 4.45126835 4.45126835 1 Rh Rh3 1 1.48375612 1.48375612 1.48375612 1 [/CIF]
CuFeOsRh
F-43m
216
cubic
-43m
13,106.701283
false
[CIF] data_NaFe3O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.36983929 _cell_length_b 12.32968507 _cell_length_c 3.02022643 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaFe3O5 _chemical_formula_sum 'Na4 Fe12 O20' _cell_volume 386.15664570 _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 Fe Fe0 1 0.00000000 0.00000000 0.00000000 1 Fe Fe1 1 5.18491964 0.00000000 0.00000000 1 Fe Fe2 1 2.41493056 4.48984458 0.00000000 1 Fe Fe3 1 7.41681487 4.73564339 0.00000000 1 Fe Fe4 1 2.95302442 7.59404168 0.00000000 1 Fe Fe5 1 7.95490873 7.83984049 0.00000000 1 Fe Fe6 1 2.23189522 1.42919914 1.51011322 1 Fe Fe7 1 7.59985020 1.67499795 1.51011322 1 Fe Fe8 1 0.00000000 6.16484254 1.51011322 1 Fe Fe9 1 5.18491964 6.16484254 1.51011322 1 Fe Fe10 1 2.76998909 10.65468712 1.51011322 1 Fe Fe11 1 8.13794407 10.90048593 1.51011322 1 Na Na12 1 4.88504795 2.95776840 0.00000000 1 Na Na13 1 5.48479134 9.37191667 0.00000000 1 Na Na14 1 10.06996760 3.20707414 1.51011322 1 Na Na15 1 0.29987169 9.12261093 1.51011322 1 O O16 1 3.41476869 0.88803509 0.00000000 1 O O17 1 0.89889977 1.79422317 0.00000000 1 O O18 1 8.05378110 2.76504617 0.00000000 1 O O19 1 0.59907858 4.89882702 0.00000000 1 O O20 1 3.89132886 5.70439168 0.00000000 1 O O21 1 6.47851043 6.62529339 0.00000000 1 O O22 1 9.77076071 7.43085805 0.00000000 1 O O23 1 2.31605819 9.56463890 0.00000000 1 O O24 1 9.47093952 10.53546190 0.00000000 1 O O25 1 6.95507060 11.44164998 0.00000000 1 O O26 1 9.07624850 0.46045086 1.51011322 1 O O27 1 5.78399822 1.26601552 1.51011322 1 O O28 1 2.86886146 3.39979636 1.51011322 1 O O29 1 6.08381942 4.37061937 1.51011322 1 O O30 1 8.59968833 5.27680745 1.51011322 1 O O31 1 1.77015096 7.05287762 1.51011322 1 O O32 1 4.28601987 7.95906570 1.51011322 1 O O33 1 7.50097783 8.92988871 1.51011322 1 O O34 1 4.58584107 11.06366955 1.51011322 1 O O35 1 1.29359079 11.86923421 1.51011322 1 [/CIF]
Fe12Na4O20
Pnnm
58
orthorhombic
mmm
4,653.157948
false
[CIF] data_La2IrOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.50437969 _cell_length_b 6.50437969 _cell_length_c 6.50437969 _cell_angle_alpha 146.44163496 _cell_angle_beta 139.61709898 _cell_angle_gamma 53.48345791 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2IrOs _chemical_formula_sum 'La2 Ir1 Os1' _cell_volume 97.94702290 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.24503970 2.28691780 1 La La1 1 -0.00000000 0.00000000 11.41219356 1 La La2 1 1.87771003 0.00000000 3.13100542 1 Os Os3 1 -0.00000000 0.00000000 6.40466987 1 [/CIF]
IrLa2Os
Imm2
44
orthorhombic
mm2
11,193.643982
false
[CIF] data_ReBTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97986898 _cell_length_b 3.97986898 _cell_length_c 7.72066899 _cell_angle_alpha 95.27522450 _cell_angle_beta 95.27522450 _cell_angle_gamma 49.59115595 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReBTe2 _chemical_formula_sum 'Re1 B1 Te2' _cell_volume 92.63783568 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 2.96199087 -0.00000000 3.01012015 1 Re Re1 1 5.15153148 -0.00000000 2.71975592 1 Te Te2 1 0.08487687 -0.00000000 0.94933191 1 Te Te3 1 1.46760737 -0.00000000 4.84224932 1 [/CIF]
BReTe2
Cm
8
monoclinic
m
8,106.036266
false
[CIF] data_KAlCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37149070 _cell_length_b 5.37149070 _cell_length_c 5.37149070 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KAlCl2 _chemical_formula_sum 'K1 Al1 Cl2' _cell_volume 109.58963663 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Cl Cl1 1 3.79821750 3.79821750 3.79821750 1 Cl Cl2 1 1.89910875 1.89910875 1.89910875 1 K K3 1 5.69732625 5.69732625 5.69732625 1 [/CIF]
AlCl2K
F-43m
216
cubic
-43m
2,075.655542
false
[CIF] data_BaCaSnAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48950121 _cell_length_b 5.48950121 _cell_length_c 5.48950121 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCaSnAu _chemical_formula_sum 'Ba1 Ca1 Sn1 Au1' _cell_volume 116.97246911 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.88166353 3.88166353 3.88166353 1 Ba Ba1 1 1.94083177 1.94083177 1.94083177 1 Ca Ca2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 5.82249530 5.82249530 5.82249530 1 [/CIF]
AuBaCaSn
F-43m
216
cubic
-43m
6,999.777081
false
[CIF] data_SiGeOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.80916668 _cell_length_b 3.84282442 _cell_length_c 5.24856962 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiGeOs2 _chemical_formula_sum 'Si1 Ge1 Os2' _cell_volume 56.65901402 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 1.40458334 1.92141221 4.08349644 1 Os Os1 1 0.00000000 0.00000000 5.04206192 1 Os Os2 1 1.40458334 1.92141221 1.55634187 1 Si Si3 1 0.00000000 0.00000000 2.43952387 1 [/CIF]
GeOs2Si
Pmm2
25
orthorhombic
mm2
14,102.386616
false
[CIF] data_SrPd5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.46059015 _cell_length_b 5.46059015 _cell_length_c 4.46436900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrPd5 _chemical_formula_sum 'Sr1 Pd5' _cell_volume 115.28422325 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 -0.00000000 3.15267319 0.00000000 1 Pd Pd2 1 -1.36514754 2.36450489 2.23218450 1 Pd Pd3 1 2.73029507 0.00000000 2.23218450 1 Pd Pd4 1 1.36514754 2.36450489 2.23218450 1 Pd Pd5 1 2.73029507 1.57633660 0.00000000 1 [/CIF]
Pd5Sr
P6/mmm
191
hexagonal
6/mmm
8,926.366703
false
[CIF] data_ScGePtAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63149343 _cell_length_b 4.63149343 _cell_length_c 4.63149343 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScGePtAu _chemical_formula_sum 'Sc1 Ge1 Pt1 Au1' _cell_volume 70.25029621 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 1.63748021 1.63748021 1.63748021 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 4.91244062 4.91244062 4.91244062 1 Au Au3 1 3.27496041 3.27496041 3.27496041 1 [/CIF]
AuGePtSc
F-43m
216
cubic
-43m
12,046.751936
false
[CIF] data_MnB2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85575085 _cell_length_b 3.85575085 _cell_length_c 5.02478242 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 134.15866915 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnB2Sb _chemical_formula_sum 'Mn1 B2 Sb1' _cell_volume 53.59257546 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.50164599 1.45154546 0.00000000 1 B B1 1 1.50164599 -1.45154546 0.00000000 1 Mn Mn2 1 -0.00000000 -0.00000000 0.00000000 1 Sb Sb3 1 1.50164599 -0.00000000 2.51239121 1 [/CIF]
B2MnSb
Cmmm
65
orthorhombic
mmm
6,144.947353
false
[CIF] data_Hf2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59743071 _cell_length_b 4.59743071 _cell_length_c 3.26626859 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2Pt _chemical_formula_sum 'Hf2 Pt1' _cell_volume 59.78784653 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 2.29871535 1.32716393 0.89603843 1 Hf Hf1 1 0.00000000 2.65432786 2.37023016 1 Pt Pt2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hf2Pt
P-3m1
164
trigonal
-3m
15,332.914465
false
[CIF] data_Er2MgTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31753826 _cell_length_b 5.31753826 _cell_length_c 5.31753826 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er2MgTe _chemical_formula_sum 'Er2 Mg1 Te1' _cell_volume 106.32046621 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.64010104 5.64010104 5.64010104 1 Er Er1 1 1.88003368 1.88003368 1.88003368 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 3.76006736 3.76006736 3.76006736 1 [/CIF]
Er2MgTe
Fm-3m
225
cubic
m-3m
7,597.073482
false
[CIF] data_BeSiRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.24847216 _cell_length_b 7.24847216 _cell_length_c 7.24847216 _cell_angle_alpha 22.72427172 _cell_angle_beta 22.72427172 _cell_angle_gamma 22.72427172 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeSiRu2 _chemical_formula_sum 'Be1 Si1 Ru2' _cell_volume 49.86153653 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ru Ru1 1 0.00000000 0.00000000 15.81975367 1 Ru Ru2 1 -0.00000000 0.00000000 5.35552254 1 Si Si3 1 -0.00000000 0.00000000 10.58763810 1 [/CIF]
BeRu2Si
R-3m
166
trigonal
-3m
7,967.334037
false
[CIF] data_KYSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68849623 _cell_length_b 4.68849623 _cell_length_c 4.26723854 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KYSi2 _chemical_formula_sum 'K1 Y1 Si2' _cell_volume 93.80242435 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Si Si1 1 0.00000000 2.34424812 2.13361927 1 Si Si2 1 2.34424812 0.00000000 2.13361927 1 Y Y3 1 2.34424812 2.34424812 0.00000000 1 [/CIF]
KSi2Y
P4/mmm
123
tetragonal
4/mmm
3,260.364264
false
[CIF] data_Ni2HgPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.75135331 _cell_length_b 2.75135331 _cell_length_c 8.22710607 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 106.45649480 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni2HgPt _chemical_formula_sum 'Ni2 Hg1 Pt1' _cell_volume 59.72749908 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.64703921 0.00000000 1.90393293 1 Ni Ni1 1 0.00000000 0.00000000 7.96710788 1 Ni Ni2 1 1.64703921 0.00000000 6.31957436 1 Pt Pt3 1 0.00000000 0.00000000 4.37715001 1 [/CIF]
HgNi2Pt
Cmm2
35
orthorhombic
mm2
14,264.074589
false
[CIF] data_ZrNbSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.78496746 _cell_length_b 3.78496746 _cell_length_c 6.05849452 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrNbSn2 _chemical_formula_sum 'Zr1 Nb1 Sn2' _cell_volume 86.79386329 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.89248373 1.89248373 4.55040025 1 Sn Sn1 1 0.00000000 0.00000000 5.96418297 1 Sn Sn2 1 1.89248373 1.89248373 1.57102561 1 Zr Zr3 1 0.00000000 0.00000000 3.06062747 1 [/CIF]
NbSn2Zr
P4mm
99
tetragonal
4mm
8,065.096402
false
[CIF] data_NaZrBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90679503 _cell_length_b 4.90679503 _cell_length_c 3.46569149 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaZrBr _chemical_formula_sum 'Na1 Zr1 Br1' _cell_volume 72.26306299 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000002 2.83293945 1.73284575 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 2.45339749 1.41646973 1.73284575 1 [/CIF]
BrNaZr
P-6m2
187
hexagonal
-6m2
4,460.648716
false
[CIF] data_BaZrBeV _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81297209 _cell_length_b 4.81297209 _cell_length_c 4.81297209 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaZrBeV _chemical_formula_sum 'Ba1 Zr1 Be1 V1' _cell_volume 78.83608171 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.40328520 3.40328520 3.40328520 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 5.10492780 5.10492780 5.10492780 1 Zr Zr3 1 1.70164260 1.70164260 1.70164260 1 [/CIF]
BaBeVZr
F-43m
216
cubic
-43m
6,076.82783
false
[CIF] data_LiMnIrPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23736000 _cell_length_b 4.23736000 _cell_length_c 4.23736000 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMnIrPt _chemical_formula_sum 'Li1 Mn1 Ir1 Pt1' _cell_volume 53.79861433 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.49813300 1.49813300 1.49813300 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Mn Mn2 1 4.49439899 4.49439899 4.49439899 1 Pt Pt3 1 2.99626599 2.99626599 2.99626599 1 [/CIF]
IrLiMnPt
F-43m
216
cubic
-43m
13,864.316433
false
[CIF] data_SrYTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53408200 _cell_length_b 4.53408200 _cell_length_c 6.41767282 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrYTe2 _chemical_formula_sum 'Sr1 Y1 Te2' _cell_volume 131.93387348 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.58688146 1 Te Te1 1 2.26704100 2.26704100 5.63735215 1 Te Te2 1 0.00000000 0.00000000 2.38567354 1 Y Y3 1 2.26704100 2.26704100 2.43427490 1 [/CIF]
SrTe2Y
P4mm
99
tetragonal
4mm
5,433.768646
false
[CIF] data_SrLiGaPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82249713 _cell_length_b 4.82249713 _cell_length_c 4.82249713 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrLiGaPt _chemical_formula_sum 'Sr1 Li1 Ga1 Pt1' _cell_volume 79.30506668 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 3.41002042 3.41002042 3.41002042 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 5.11503063 5.11503063 5.11503063 1 Sr Sr3 1 1.70501021 1.70501021 1.70501021 1 [/CIF]
GaLiPtSr
F-43m
216
cubic
-43m
7,524.671856
false
[CIF] data_AlFe4Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94326592 _cell_length_b 4.94326592 _cell_length_c 4.94326592 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlFe4Pb _chemical_formula_sum 'Al1 Fe4 Pb1' _cell_volume 85.41357939 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Fe Fe1 1 2.61388621 4.37694749 2.61388621 1 Fe Fe2 1 4.37694749 2.61388621 2.61388621 1 Fe Fe3 1 4.37694749 4.37694749 4.37694749 1 Fe Fe4 1 2.61388621 2.61388621 4.37694749 1 Pb Pb5 1 1.74770842 1.74770842 1.74770842 1 [/CIF]
AlFe4Pb
F-43m
216
cubic
-43m
8,895.5271
false
[CIF] data_CrFe2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.70948095 _cell_length_b 3.77868519 _cell_length_c 4.87178591 _cell_angle_alpha 90.00000000 _cell_angle_beta 104.99321156 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrFe2Se _chemical_formula_sum 'Cr1 Fe2 Se1' _cell_volume 48.18064073 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 0.00000000 0.00000000 0.00000000 1 Fe Fe1 1 1.39187465 1.88934260 1.17857664 1 Fe Fe2 1 0.05725288 1.88934260 3.52735655 1 Se Se3 1 -0.63017671 0.00000000 2.35296660 1 [/CIF]
CrFe2Se
P2/m
10
monoclinic
2/m
8,362.764013
false
[CIF] data_AlBIr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.09479434 _cell_length_b 4.09479434 _cell_length_c 4.09479434 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlBIr3 _chemical_formula_sum 'Al1 B1 Ir3' _cell_volume 68.65881174 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 0.00000000 1 Ir Ir1 1 0.00000000 2.04739717 0.00000000 1 Ir Ir2 1 0.00000000 0.00000000 2.04739717 1 Ir Ir3 1 2.04739717 0.00000000 0.00000000 1 Al Al4 1 2.04739717 2.04739717 2.04739717 1 [/CIF]
AlBIr3
Pm-3m
221
cubic
m-3m
14,860.547018
false
[CIF] data_IrAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.64037650 _cell_length_b 11.64037650 _cell_length_c 11.64037650 _cell_angle_alpha 166.36379957 _cell_angle_beta 163.03923838 _cell_angle_gamma 21.82603249 _symmetry_Int_Tables_number 1 _chemical_formula_structural IrAu2 _chemical_formula_sum 'Ir2 Au4' _cell_volume 108.45671551 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 -0.00000000 0.85830749 1.08582976 1 Au Au1 1 0.00000000 0.85830749 4.49823217 1 Au Au2 1 1.38191813 0.85830749 6.93163661 1 Au Au3 1 1.38191813 0.85830749 10.34403902 1 Ir Ir4 1 -0.00000000 0.85830749 14.22208903 1 Ir Ir5 1 1.38191813 0.85830749 -2.79222025 1 [/CIF]
Au8Ir4
Imma
74
orthorhombic
mmm
17,948.638744
false
[CIF] data_SnMoRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38200323 _cell_length_b 4.38200323 _cell_length_c 4.38200323 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnMoRu _chemical_formula_sum 'Sn1 Mo1 Ru1' _cell_volume 59.49809799 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 0.00000000 0.00000000 0.00000000 1 Ru Ru1 1 3.09854420 3.09854420 3.09854420 1 Sn Sn2 1 1.54927210 1.54927210 1.54927210 1 [/CIF]
MoRuSn
F-43m
216
cubic
-43m
8,812.022949
false
[CIF] data_TcAsW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.13092443 _cell_length_b 3.13092443 _cell_length_c 6.37880143 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcAsW2 _chemical_formula_sum 'Tc1 As1 W2' _cell_volume 62.52939887 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 0.00000000 0.00000000 3.11904394 1 Tc Tc1 1 1.56546221 1.56546221 4.83792980 1 W W2 1 0.00000000 0.00000000 6.31575183 1 W W3 1 1.56546221 1.56546221 1.67427801 1 [/CIF]
AsTcW2
P4mm
99
tetragonal
4mm
14,380.35345
false
[CIF] data_SrLiAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.91254670 _cell_length_b 5.91254670 _cell_length_c 5.91254670 _cell_angle_alpha 45.68127878 _cell_angle_beta 45.68127878 _cell_angle_gamma 45.68127878 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrLiAu2 _chemical_formula_sum 'Sr1 Li1 Au2' _cell_volume 96.44001682 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 11.23282450 1 Au Au1 1 0.00000000 0.00000000 4.62327057 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Sr Sr3 1 0.00000000 0.00000000 7.92804754 1 [/CIF]
Au2LiSr
R-3m
166
trigonal
-3m
8,418.324333
false
[CIF] data_MnP2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.28908594 _cell_length_b 7.28908594 _cell_length_c 7.28908594 _cell_angle_alpha 27.71774417 _cell_angle_beta 27.71774417 _cell_angle_gamma 27.71774417 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnP2Pb _chemical_formula_sum 'Mn1 P2 Pb1' _cell_volume 73.96944252 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 15.35962963 1 P P1 1 0.00000000 0.00000000 21.00286991 1 P P2 1 0.00000000 -0.00000000 5.70475932 1 Pb Pb3 1 0.00000000 0.00000000 10.46822360 1 [/CIF]
MnP2Pb
R3m
160
trigonal
3m
7,275.392783
false
[CIF] data_Ca2TaSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.41560346 _cell_length_b 9.41560346 _cell_length_c 9.41560346 _cell_angle_alpha 23.10290976 _cell_angle_beta 23.10290976 _cell_angle_gamma 23.10290976 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2TaSi _chemical_formula_sum 'Ca2 Ta1 Si1' _cell_volume 112.80780857 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 27.03496867 1 Ca Ca1 1 0.00000000 -0.00000000 21.34390744 1 Si Si2 1 0.00000000 -0.00000000 14.11758186 1 Ta Ta3 1 0.00000000 0.00000000 6.20684551 1 [/CIF]
Ca2SiTa
R3m
160
trigonal
3m
4,256.888498
false
[CIF] data_BaGaCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.03811968 _cell_length_b 6.94455535 _cell_length_c 4.05593639 _cell_angle_alpha 74.40719526 _cell_angle_beta 71.87713182 _cell_angle_gamma 33.71567291 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaGaCl _chemical_formula_sum 'Ba1 Ga1 Cl1' _cell_volume 104.55989438 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.75157594 2.97984057 0.32299525 1 Cl Cl1 1 2.75157594 2.97984057 7.99214665 1 Ga Ga2 1 2.75157594 2.97984057 4.43721926 1 [/CIF]
BaClGa
Fmm2
42
orthorhombic
mm2
3,851.244377
false
[CIF] data_InCuAgRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50680812 _cell_length_b 4.50680812 _cell_length_c 4.50680812 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InCuAgRu _chemical_formula_sum 'In1 Cu1 Ag1 Ru1' _cell_volume 64.72800255 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.18679458 3.18679458 3.18679458 1 Cu Cu1 1 0.00000000 0.00000000 0.00000000 1 In In2 1 1.59339729 1.59339729 1.59339729 1 Ru Ru3 1 4.78019187 4.78019187 4.78019187 1 [/CIF]
AgCuInRu
F-43m
216
cubic
-43m
9,935.891861
false
[CIF] data_YTlGa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59136047 _cell_length_b 4.92131378 _cell_length_c 5.40246269 _cell_angle_alpha 90.00000000 _cell_angle_beta 95.49635194 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTlGa2 _chemical_formula_sum 'Y1 Tl1 Ga2' _cell_volume 95.04526165 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 3.29381928 2.46065689 0.05814518 1 Ga Ga1 1 2.72574568 0.00000000 1.31016387 1 Tl Tl2 1 1.71984427 2.46065689 2.57423102 1 Y Y3 1 0.46280085 0.00000000 4.12389560 1 [/CIF]
Ga2TlY
Pm
6
monoclinic
m
7,560.330831
false
[CIF] data_LuMn2Cd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58338130 _cell_length_b 4.58338130 _cell_length_c 4.58338130 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LuMn2Cd _chemical_formula_sum 'Lu1 Mn2 Cd1' _cell_volume 68.08367164 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Lu Lu1 1 3.24094000 3.24094000 3.24094000 1 Mn Mn2 1 4.86141000 4.86141000 4.86141000 1 Mn Mn3 1 1.62047000 1.62047000 1.62047000 1 [/CIF]
CdLuMn2
Fm-3m
225
cubic
m-3m
9,688.895851
false
[CIF] data_NaAlZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.14006038 _cell_length_b 7.14006038 _cell_length_c 7.14006038 _cell_angle_alpha 156.32742913 _cell_angle_beta 156.32742913 _cell_angle_gamma 33.72521897 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaAlZn _chemical_formula_sum 'Na1 Al1 Zn1' _cell_volume 58.62431162 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.24686889 1 Na Na1 1 0.00000000 0.00000000 4.50130195 1 Zn Zn2 1 -0.00000000 0.00000000 8.91794871 1 [/CIF]
AlNaZn
I4mm
107
tetragonal
4mm
3,267.3365
false
[CIF] data_AsBrCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.47373767 _cell_length_b 5.47373767 _cell_length_c 3.43367049 _cell_angle_alpha 91.36872551 _cell_angle_beta 91.36872551 _cell_angle_gamma 102.37928837 _symmetry_Int_Tables_number 1 _chemical_formula_structural AsBrCl2 _chemical_formula_sum 'As1 Br1 Cl2' _cell_volume 100.41400360 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Br Br1 1 3.43063586 -0.00000000 0.00000000 1 Cl Cl2 1 1.71531793 2.13263579 0.00000000 1 Cl Cl3 1 1.71531793 -2.13263579 0.00000000 1 [/CIF]
AsBrCl2
C2/m
12
monoclinic
2/m
3,732.907034
false
[CIF] data_Li2MgRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41531326 _cell_length_b 4.41531326 _cell_length_c 4.41531326 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2MgRu _chemical_formula_sum 'Li2 Mg1 Ru1' _cell_volume 60.86527212 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.56104898 1.56104898 1.56104897 1 Mg Mg2 1 3.12209795 3.12209795 3.12209795 1 Ru Ru3 1 4.68314692 4.68314692 4.68314692 1 [/CIF]
Li2MgRu
F-43m
216
cubic
-43m
3,799.23856
false
[CIF] data_Cd2TeMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.95563558 _cell_length_b 2.95563558 _cell_length_c 10.83308629 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 99.17566764 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2TeMo _chemical_formula_sum 'Cd2 Te1 Mo1' _cell_volume 93.42452850 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.91608414 0.00000000 8.68162430 1 Cd Cd1 1 1.91608414 0.00000000 2.15146199 1 Mo Mo2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 0.00000000 0.00000000 5.41654315 1 [/CIF]
Cd2MoTe
Cmmm
65
orthorhombic
mmm
7,969.596847
false
[CIF] data_Mo2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43771784 _cell_length_b 4.43771784 _cell_length_c 2.71344800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mo2Rh _chemical_formula_sum 'Mo2 Rh1' _cell_volume 46.27767228 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.56211759 1.35672400 1 Mo Mo1 1 2.21885892 1.28105880 1.35672400 1 Rh Rh2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mo4Rh2
P6/mmm
191
hexagonal
6/mmm
10,578.951966
false
[CIF] data_CoSbPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.43309173 _cell_length_b 8.43309173 _cell_length_c 8.43309173 _cell_angle_alpha 20.74229300 _cell_angle_beta 20.74229300 _cell_angle_gamma 20.74229300 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoSbPt2 _chemical_formula_sum 'Co1 Sb1 Pt2' _cell_volume 65.85958179 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 18.55305473 1 Pt Pt1 1 0.00000000 -0.00000000 0.14861317 1 Pt Pt2 1 -0.00000000 -0.00000000 6.16220491 1 Sb Sb3 1 -0.00000000 0.00000000 12.25607250 1 [/CIF]
CoPt2Sb
R3m
160
trigonal
3m
14,393.309056
false
[CIF] data_Zr2IrRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.47086177 _cell_length_b 4.45207311 _cell_length_c 4.59639368 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2IrRu _chemical_formula_sum 'Zr2 Ir1 Ru1' _cell_volume 71.02591286 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.73543088 2.22603655 0.00000000 1 Ru Ru1 1 1.73543088 0.00000000 2.29819684 1 Zr Zr2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 0.00000000 2.22603655 2.29819684 1 [/CIF]
IrRuZr2
Pmmm
47
orthorhombic
mmm
11,122.370991
false
[CIF] data_KAlH3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98168300 _cell_length_b 3.98168300 _cell_length_c 3.98168300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KAlH3 _chemical_formula_sum 'K1 Al1 H3' _cell_volume 63.12480400 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.99084150 1.99084150 1.99084150 1 Al Al1 1 0.00000000 0.00000000 0.00000000 1 H H2 1 0.00000000 1.99084150 0.00000000 1 H H3 1 0.00000000 0.00000000 1.99084150 1 H H4 1 1.99084150 0.00000000 0.00000000 1 [/CIF]
AlH3K
Pm-3m
221
cubic
m-3m
1,817.816729
false
[CIF] data_KBa2Mn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.20365906 _cell_length_b 6.20365906 _cell_length_c 4.84444773 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KBa2Mn _chemical_formula_sum 'K1 Ba2 Mn1' _cell_volume 186.44043955 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.10182953 0.00000000 2.42222387 1 Ba Ba1 1 0.00000000 3.10182953 2.42222387 1 K K2 1 0.00000000 0.00000000 0.00000000 1 Mn Mn3 1 3.10182953 3.10182953 0.00000000 1 [/CIF]
Ba2KMn
P4/mmm
123
tetragonal
4/mmm
3,283.754977
false
[CIF] data_CrRe2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.71992351 _cell_length_b 3.83444961 _cell_length_c 5.45531101 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrRe2Ir _chemical_formula_sum 'Cr1 Re2 Ir1' _cell_volume 56.89567325 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.72679946 1 Ir Ir1 1 1.35996176 1.91722481 4.03715567 1 Re Re2 1 0.00000000 0.00000000 0.01286962 1 Re Re3 1 1.35996176 1.91722481 1.40614176 1 [/CIF]
CrIrRe2
Pmm2
25
orthorhombic
mm2
17,996.682887
false
[CIF] data_Bi2Pd3S2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.74306305 _cell_length_b 5.74306305 _cell_length_c 5.74306305 _cell_angle_alpha 64.00010479 _cell_angle_beta 64.00010479 _cell_angle_gamma 64.00010479 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi2Pd3S2 _chemical_formula_sum 'Bi2 Pd3 S2' _cell_volume 145.74154712 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.81359250 1 Bi Bi1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 1.52168210 0.87854357 2.27119750 1 Pd Pd3 1 -1.52168210 0.87854357 2.27119750 1 Pd Pd4 1 0.00000000 -1.75708714 2.27119750 1 S S5 1 0.00000000 0.00000000 3.85244871 1 S S6 1 -0.00000000 0.00000000 9.77473629 1 [/CIF]
Bi2Pd3S2
R-3m
166
trigonal
-3m
9,130.37001
false
[CIF] data_LaNbW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.89854050 _cell_length_b 4.51462328 _cell_length_c 6.56845148 _cell_angle_alpha 90.00000000 _cell_angle_beta 99.90330688 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaNbW2 _chemical_formula_sum 'La1 Nb1 W2' _cell_volume 84.67280363 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.88442954 0.00000000 3.23528881 1 Nb Nb1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 1.92501168 2.25731164 1.18785583 1 W W3 1 -0.15615260 2.25731164 5.28272179 1 [/CIF]
LaNbW2
P2/m
10
monoclinic
2/m
11,756.781332
false
[CIF] data_BaAl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68317027 _cell_length_b 4.68317027 _cell_length_c 4.68317027 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaAl3 _chemical_formula_sum 'Ba1 Al3' _cell_volume 102.71168271 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 2.34158513 2.34158513 0.00000000 1 Al Al1 1 2.34158513 0.00000000 2.34158513 1 Al Al2 1 0.00000000 2.34158513 2.34158513 1 Ba Ba3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al3Ba
Pm-3m
221
cubic
m-3m
3,528.795709
false
[CIF] data_Ca3C3Cl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.02627883 _cell_length_b 7.02627883 _cell_length_c 11.56697800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 148.10936501 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca3C3Cl2 _chemical_formula_sum 'Ca6 C6 Cl4' _cell_volume 301.68305802 _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 Ca Ca0 1 1.93025800 -2.11841894 0.70454463 1 Ca Ca1 1 1.93025800 2.11841894 10.86243337 1 Ca Ca2 1 1.93025800 2.11841894 6.48803363 1 Ca Ca3 1 1.93025800 -2.11841894 5.07894437 1 Ca Ca4 1 1.93025800 5.11723119 8.67523350 1 Ca Ca5 1 1.93025800 -5.11723119 2.89174450 1 C C6 1 1.93025800 3.14437569 1.56325394 1 C C7 1 1.93025800 -3.14437569 10.00372406 1 C C8 1 1.93025800 -3.14437569 7.34674294 1 C C9 1 1.93025800 3.14437569 4.22023506 1 C C10 1 1.93025800 -3.27221155 8.67523350 1 C C11 1 1.93025800 3.27221155 2.89174450 1 Cl Cl12 1 1.93025800 -0.39174982 2.89174450 1 Cl Cl13 1 1.93025800 0.39174982 8.67523350 1 Cl Cl14 1 0.00000000 0.00000000 5.78348900 1 Cl Cl15 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
C6Ca6Cl4
Cmcm
63
orthorhombic
mmm
2,500.824205
false
[CIF] data_Ce2ErSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42600335 _cell_length_b 5.42600335 _cell_length_c 5.42600335 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce2ErSi _chemical_formula_sum 'Ce2 Er1 Si1' _cell_volume 112.96012752 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ce Ce0 1 5.75514564 5.75514564 5.75514564 1 Ce Ce1 1 1.91838188 1.91838188 1.91838188 1 Er Er2 1 3.83676376 3.83676376 3.83676376 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ce2ErSi
Fm-3m
225
cubic
m-3m
6,991.080612
false
[CIF] data_Ga2PtCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11233141 _cell_length_b 3.90431675 _cell_length_c 7.02621291 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2PtCl _chemical_formula_sum 'Ga2 Pt1 Cl1' _cell_volume 85.37922049 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.43931083 1 Ga Ga1 1 1.55616570 1.95215838 6.89943375 1 Ga Ga2 1 0.00000000 0.00000000 2.86592971 1 Pt Pt3 1 1.55616570 1.95215838 2.36085799 1 [/CIF]
ClGa2Pt
Pmm2
25
orthorhombic
mm2
7,195.793332
false
[CIF] data_AgTeCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68794954 _cell_length_b 4.43991419 _cell_length_c 4.79197362 _cell_angle_alpha 90.00000000 _cell_angle_beta 92.86887422 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgTeCl2 _chemical_formula_sum 'Ag1 Te1 Cl2' _cell_volume 99.61558235 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cl Cl1 1 1.03080889 2.21995709 3.55688988 1 Cl Cl2 1 3.41730054 2.21995709 1.22907793 1 Te Te3 1 2.22405472 0.00000000 2.39298390 1 [/CIF]
AgCl2Te
P2/m
10
monoclinic
2/m
5,107.095859
false
[CIF] data_Sr2CoWO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.58936504 _cell_length_b 5.58936504 _cell_length_c 5.58936504 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2CoWO6 _chemical_formula_sum 'Sr2 Co1 W1 O6' _cell_volume 123.47312048 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 O O1 1 5.88107199 3.95227792 3.95227792 1 O O2 1 3.95227792 5.88107199 3.95227792 1 O O3 1 3.95227792 3.95227792 2.02348385 1 O O4 1 3.95227792 2.02348385 3.95227792 1 O O5 1 2.02348385 3.95227792 3.95227792 1 O O6 1 3.95227792 3.95227792 5.88107199 1 Sr Sr7 1 5.92841688 5.92841688 5.92841688 1 Sr Sr8 1 1.97613896 1.97613896 1.97613896 1 W W9 1 3.95227792 3.95227792 3.95227792 1 [/CIF]
CoO6Sr2W
Fm-3m
225
cubic
m-3m
6,912.703022
false
[CIF] data_In2AgTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.86665750 _cell_length_b 5.86665750 _cell_length_c 5.86665750 _cell_angle_alpha 139.20312082 _cell_angle_beta 124.49966510 _cell_angle_gamma 71.12939083 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2AgTe _chemical_formula_sum 'In2 Ag1 Te1' _cell_volume 106.62467067 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.12197400 1 In In1 1 0.00000000 2.73161609 4.60388655 1 In In2 1 -0.00000000 0.00000000 2.38603713 1 Te Te3 1 0.00000000 2.73161609 0.20496353 1 [/CIF]
AgIn2Te
Imm2
44
orthorhombic
mm2
7,243.386444
false
[CIF] data_HgSbIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.00365194 _cell_length_b 3.00365194 _cell_length_c 8.57695247 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgSbIr2 _chemical_formula_sum 'Hg1 Sb1 Ir2' _cell_volume 77.38062171 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.50182597 1.50182597 6.80708872 1 Ir Ir1 1 0.00000000 0.00000000 0.23994471 1 Ir Ir2 1 1.50182597 1.50182597 1.98573432 1 Sb Sb3 1 0.00000000 0.00000000 3.83266087 1 [/CIF]
HgIr2Sb
P4mm
99
tetragonal
4mm
15,167.136392
false
[CIF] data_TaNiAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87272500 _cell_length_b 4.87272500 _cell_length_c 4.94470930 _cell_angle_alpha 100.54659035 _cell_angle_beta 100.54659035 _cell_angle_gamma 34.47241447 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaNiAu2 _chemical_formula_sum 'Ta1 Ni1 Au2' _cell_volume 65.22033570 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.33281963 -0.00000000 4.78750908 1 Au Au1 1 6.80586431 -0.00000000 1.26165611 1 Ni Ni2 1 4.21996848 0.00000000 2.50830511 1 Ta Ta3 1 1.54180671 0.00000000 3.57517777 1 [/CIF]
Au2NiTa
Cm
8
monoclinic
m
16,131.089505
false
[CIF] data_NiRh2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.99902010 _cell_length_b 2.99902010 _cell_length_c 6.49358802 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiRh2Cl _chemical_formula_sum 'Ni1 Rh2 Cl1' _cell_volume 58.40412001 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 0.00000000 0.00000000 3.24679401 1 Rh Rh2 1 1.49951005 1.49951005 4.63455598 1 Rh Rh3 1 1.49951005 1.49951005 1.85903204 1 [/CIF]
ClNiRh2
P4/mmm
123
tetragonal
4/mmm
8,528.353495
false
[CIF] data_BaTiGa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.38323790 _cell_length_b 3.38323790 _cell_length_c 8.49198469 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTiGa2 _chemical_formula_sum 'Ba1 Ti1 Ga2' _cell_volume 97.20179322 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 1.69161895 1.69161895 6.49869704 1 Ga Ga1 1 0.00000000 0.00000000 0.58717964 1 Ga Ga2 1 1.69161895 1.69161895 2.13593770 1 Ti Ti3 1 0.00000000 0.00000000 3.51616273 1 [/CIF]
BaGa2Ti
P4mm
99
tetragonal
4mm
5,545.961497
false
[CIF] data_Hf2IrRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.67854090 _cell_length_b 3.67854090 _cell_length_c 5.57625755 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2IrRh _chemical_formula_sum 'Hf2 Ir1 Rh1' _cell_volume 75.45603882 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 1.83927045 1.83927045 5.27253915 1 Hf Hf1 1 0.00000000 0.00000000 1.72222385 1 Ir Ir2 1 1.83927045 1.83927045 2.41916036 1 Rh Rh3 1 0.00000000 0.00000000 4.52672051 1 [/CIF]
Hf2IrRh
P4mm
99
tetragonal
4mm
14,350.629765
false
[CIF] data_VPt2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.79304212 _cell_length_b 2.79304212 _cell_length_c 8.00711495 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VPt2Au _chemical_formula_sum 'V1 Pt2 Au1' _cell_volume 62.46417869 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.00355748 1 Pt Pt1 1 1.39652106 1.39652106 6.22870790 1 Pt Pt2 1 1.39652106 1.39652106 1.77840705 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuPt2V
P4/mmm
123
tetragonal
4/mmm
16,962.533476
false
[CIF] data_Sr2TiHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.69330569 _cell_length_b 5.69330569 _cell_length_c 5.69330569 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2TiHg _chemical_formula_sum 'Sr2 Ti1 Hg1' _cell_volume 130.49038450 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.02577506 4.02577506 4.02577506 1 Sr Sr1 1 2.01288753 2.01288753 2.01288753 1 Sr Sr2 1 6.03866259 6.03866259 6.03866259 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgSr2Ti
Fm-3m
225
cubic
m-3m
5,391.703179
false
[CIF] data_LaPu2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44874990 _cell_length_b 5.44874990 _cell_length_c 5.44874990 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaPu2Pb _chemical_formula_sum 'La1 Pu2 Pb1' _cell_volume 114.38672429 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 0.00000000 0.00000000 0.00000000 1 Pb Pb1 1 3.85284800 3.85284800 3.85284800 1 Pu Pu2 1 5.77927200 5.77927200 5.77927200 1 Pu Pu3 1 1.92642400 1.92642400 1.92642400 1 [/CIF]
LaPbPu2
Fm-3m
225
cubic
m-3m
12,108.61424
false
[CIF] data_BaLiCr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.55027109 _cell_length_b 5.55027109 _cell_length_c 5.62837497 _cell_angle_alpha 111.00993390 _cell_angle_beta 111.00993390 _cell_angle_gamma 42.67646906 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLiCr2 _chemical_formula_sum 'Ba1 Li1 Cr2' _cell_volume 108.47480213 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.08656553 0.00000000 2.59735845 1 Cr Cr1 1 1.10784481 0.00000000 4.31917017 1 Cr Cr2 1 7.06528625 0.00000000 0.87554673 1 Li Li3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaCr2Li
C2/m
12
monoclinic
2/m
3,800.382694
false
[CIF] data_ScInMoPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69221276 _cell_length_b 4.69221276 _cell_length_c 4.69221276 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScInMoPd _chemical_formula_sum 'Sc1 In1 Mo1 Pd1' _cell_volume 73.04964172 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 3.31789546 3.31789546 3.31789546 1 Mo Mo1 1 1.65894773 1.65894773 1.65894773 1 Pd Pd2 1 4.97684319 4.97684319 4.97684319 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InMoPdSc
F-43m
216
cubic
-43m
8,232.356858
false
[CIF] data_BeP2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.83378441 _cell_length_b 2.83378441 _cell_length_c 6.28346634 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeP2Ru _chemical_formula_sum 'Be1 P2 Ru1' _cell_volume 50.45833391 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 P P1 1 1.41689220 1.41689220 1.58743320 1 P P2 1 1.41689220 1.41689220 4.69603314 1 Ru Ru3 1 0.00000000 0.00000000 3.14173317 1 [/CIF]
BeP2Ru
P4/mmm
123
tetragonal
4/mmm
5,661.345219
false
[CIF] data_SbP2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.51810269 _cell_length_b 3.51810269 _cell_length_c 7.14495004 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.37296766 _symmetry_Int_Tables_number 1 _chemical_formula_structural SbP2Pb _chemical_formula_sum 'Sb1 P2 Pb1' _cell_volume 88.40799055 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.45769060 0.00000000 1.57969844 1 P P1 1 2.45769060 0.00000000 5.56525160 1 Pb Pb2 1 0.00000000 0.00000000 3.57247502 1 Sb Sb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
P2PbSb
Cmmm
65
orthorhombic
mmm
7,342.291245
false
[CIF] data_La2WAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.24233435 _cell_length_b 9.24233435 _cell_length_c 9.24233435 _cell_angle_alpha 23.17092187 _cell_angle_beta 23.17092187 _cell_angle_gamma 23.17092187 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2WAu _chemical_formula_sum 'La2 W1 Au1' _cell_volume 107.29681573 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 0.00000000 -0.00000000 13.48558479 1 La La1 1 -0.00000000 -0.00000000 20.12603347 1 La La2 1 0.00000000 -0.00000000 6.84513612 1 W W3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuLa2W
R-3m
166
trigonal
-3m
10,192.8477
false
[CIF] data_MgTc2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.77648501 _cell_length_b 3.90813590 _cell_length_c 5.56339617 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTc2Ir _chemical_formula_sum 'Mg1 Tc2 Ir1' _cell_volume 60.36774837 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.38824251 1.95406795 2.80802191 1 Mg Mg1 1 0.00000000 0.00000000 4.11336494 1 Tc Tc2 1 1.38824251 1.95406795 0.10042103 1 Tc Tc3 1 0.00000000 0.00000000 1.32328632 1 [/CIF]
IrMgTc2
Pmm2
25
orthorhombic
mm2
11,397.119761
false
[CIF] data_VIr2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34892005 _cell_length_b 4.34892005 _cell_length_c 4.34892005 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VIr2Ru _chemical_formula_sum 'V1 Ir2 Ru1' _cell_volume 58.16065302 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.61272629 4.61272629 4.61272629 1 Ir Ir1 1 1.53757543 1.53757543 1.53757543 1 Ru Ru2 1 3.07515086 3.07515086 3.07515086 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ir2RuV
Fm-3m
225
cubic
m-3m
15,316.002547
false
[CIF] data_Bi2AuSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26040253 _cell_length_b 4.26040253 _cell_length_c 5.96619656 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi2AuSe _chemical_formula_sum 'Bi2 Au1 Se1' _cell_volume 108.29261106 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.13020127 2.13020127 2.98309828 1 Bi Bi1 1 0.00000000 0.00000000 2.98309828 1 Bi Bi2 1 2.13020127 2.13020127 0.00000000 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuBi2Se
P4/mmm
123
tetragonal
4/mmm
10,639.941846
false
[CIF] data_TlNiRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32197418 _cell_length_b 4.32197418 _cell_length_c 4.32197418 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlNiRh _chemical_formula_sum 'Tl1 Ni1 Rh1' _cell_volume 57.08624879 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 0.00000000 0.00000000 0.00000000 1 Rh Rh1 1 1.52804862 1.52804862 1.52804862 1 Tl Tl2 1 3.05609725 3.05609725 3.05609725 1 [/CIF]
NiRhTl
F-43m
216
cubic
-43m
10,645.781666
false
[CIF] data_TcPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12527119 _cell_length_b 5.12527119 _cell_length_c 16.64579444 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcPd2 _chemical_formula_sum 'Tc8 Pd16' _cell_volume 378.67694036 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.56263560 1.47953835 2.07636261 1 Pd Pd1 1 0.00000000 2.95907670 14.56943183 1 Pd Pd2 1 0.00000000 2.95907670 10.39925983 1 Pd Pd3 1 2.56263560 1.47953835 6.24653461 1 Pd Pd4 1 -1.28131780 2.21930753 0.00000000 1 Pd Pd5 1 1.28131780 2.21930753 0.00000000 1 Pd Pd6 1 2.56263560 0.00000000 0.00000000 1 Pd Pd7 1 -1.28131780 2.21930753 8.32289722 1 Pd Pd8 1 1.28131780 2.21930753 8.32289722 1 Pd Pd9 1 2.56263560 0.00000000 8.32289722 1 Pd Pd10 1 1.24862723 0.72089527 4.16144861 1 Pd Pd11 1 3.87664396 0.72089527 4.16144861 1 Pd Pd12 1 2.56263560 2.99682452 4.16144861 1 Pd Pd13 1 1.31400837 3.71771979 12.48434583 1 Pd Pd14 1 -1.31400837 3.71771979 12.48434583 1 Pd Pd15 1 0.00000000 1.44179053 12.48434583 1 Tc Tc16 1 0.00000000 0.00000000 1.71282894 1 Tc Tc17 1 0.00000000 0.00000000 14.93296550 1 Tc Tc18 1 0.00000000 0.00000000 10.03572616 1 Tc Tc19 1 0.00000000 0.00000000 6.61006828 1 Tc Tc20 1 2.56263560 1.47953835 13.86043934 1 Tc Tc21 1 0.00000000 2.95907670 2.78535510 1 Tc Tc22 1 0.00000000 2.95907670 5.53754212 1 Tc Tc23 1 2.56263560 1.47953835 11.10825232 1 [/CIF]
Pd16Tc8
P6_3/mmc
194
hexagonal
6/mmm
10,936.324636
false
[CIF] data_CdPt2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.97544962 _cell_length_b 2.97544962 _cell_length_c 7.92801825 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdPt2Cl _chemical_formula_sum 'Cd1 Pt2 Cl1' _cell_volume 70.18912747 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 0.00000000 3.96400913 1 Cl Cl1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 1.48772481 1.48772481 2.01005571 1 Pt Pt3 1 1.48772481 1.48772481 5.91796254 1 [/CIF]
CdClPt2
P4/mmm
123
tetragonal
4/mmm
12,728.796999
false