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_MgIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.27504624 _cell_length_b 3.27504624 _cell_length_c 4.37998993 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgIn _chemical_formula_sum 'Mg1 In1' _cell_volume 46.97945608 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.63752312 1.63752312 2.18999496 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InMg
P4/mmm
123
tetragonal
4/mmm
4,917.45107
false
[CIF] data_ZrVTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71409008 _cell_length_b 4.71409008 _cell_length_c 4.71409008 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrVTe _chemical_formula_sum 'Zr1 V1 Te1' _cell_volume 74.07618921 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Te Te0 1 3.33336506 3.33336506 3.33336506 1 V V1 1 0.00000000 -0.00000000 0.00000000 1 Zr Zr2 1 5.00004759 5.00004759 5.00004759 1 [/CIF]
TeVZr
F-43m
216
cubic
-43m
6,047.235372
false
[CIF] data_ScTaGa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28191442 _cell_length_b 4.53467268 _cell_length_c 4.86683805 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTaGa2 _chemical_formula_sum 'Sc1 Ta1 Ga2' _cell_volume 72.43026787 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.64095721 2.26733634 0.00000000 1 Ga Ga1 1 0.00000000 2.26733634 2.43341903 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 1.64095721 0.00000000 2.43341903 1 [/CIF]
Ga2ScTa
Pmmm
47
orthorhombic
mmm
8,376.02318
false
[CIF] data_BeHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.37410217 _cell_length_b 6.37410217 _cell_length_c 6.37410217 _cell_angle_alpha 154.80667249 _cell_angle_beta 142.29585582 _cell_angle_gamma 45.88857893 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeHg _chemical_formula_sum 'Be2 Hg2' _cell_volume 67.22371806 _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 Be Be0 1 1.39010509 -1.02981876 3.84481839 1 Be Be1 1 -0.00000000 3.08945630 2.02499247 1 Hg Hg2 1 0.00000000 1.02981876 4.55459615 1 Hg Hg3 1 1.39010509 1.02981876 1.31521471 1 [/CIF]
Be2Hg2
Imma
74
orthorhombic
mmm
10,355.053892
false
[CIF] data_NaSn2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.38071218 _cell_length_b 3.38071218 _cell_length_c 9.56139288 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSn2Sb _chemical_formula_sum 'Na1 Sn2 Sb1' _cell_volume 109.27921343 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sb Sb1 1 0.00000000 0.00000000 4.78069644 1 Sn Sn2 1 1.69035609 1.69035609 7.15169632 1 Sn Sn3 1 1.69035609 1.69035609 2.40969656 1 [/CIF]
NaSbSn2
P4/mmm
123
tetragonal
4/mmm
5,807.214492
false
[CIF] data_SrCdSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.76745328 _cell_length_b 3.76745328 _cell_length_c 6.63067877 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCdSi2 _chemical_formula_sum 'Sr1 Cd1 Si2' _cell_volume 94.11389309 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.31533939 1 Si Si1 1 1.88372664 1.88372664 4.50129231 1 Si Si2 1 1.88372664 1.88372664 2.12938646 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdSi2Sr
P4/mmm
123
tetragonal
4/mmm
4,520.411819
false
[CIF] data_Y2ReAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94280030 _cell_length_b 4.94280030 _cell_length_c 5.02594082 _cell_angle_alpha 119.19660051 _cell_angle_beta 119.19660051 _cell_angle_gamma 55.77520216 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2ReAs _chemical_formula_sum 'Y2 Re1 As1' _cell_volume 84.66466237 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 2.98186412 -0.00000000 2.09558864 1 Y Y2 1 0.07567544 0.00000000 3.10613211 1 Y Y3 1 5.88805280 0.00000000 1.08504517 1 [/CIF]
AsReY2
C2/m
12
monoclinic
2/m
8,608.993358
false
[CIF] data_YTaHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57189602 _cell_length_b 4.57189602 _cell_length_c 4.21565028 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTaHg2 _chemical_formula_sum 'Y1 Ta1 Hg2' _cell_volume 88.11650512 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 0.00000000 2.28594801 2.10782514 1 Hg Hg1 1 2.28594801 0.00000000 2.10782514 1 Ta Ta2 1 2.28594801 2.28594801 0.00000000 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hg2TaY
P4/mmm
123
tetragonal
4/mmm
12,645.797217
false
[CIF] data_ZrGePd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.84829365 _cell_length_b 4.15138746 _cell_length_c 4.28784892 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrGePd2 _chemical_formula_sum 'Zr1 Ge1 Pd2' _cell_volume 68.50163669 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 0.00000000 2.07569373 2.14392446 1 Pd Pd2 1 1.92414682 0.00000000 2.14392446 1 Zr Zr3 1 1.92414682 2.07569373 0.00000000 1 [/CIF]
GePd2Zr
Pmmm
47
orthorhombic
mmm
9,131.631575
false
[CIF] data_BeCr2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.02281406 _cell_length_b 3.02281406 _cell_length_c 6.21797049 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeCr2Sn _chemical_formula_sum 'Be1 Cr2 Sn1' _cell_volume 56.81611366 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.51140703 1.51140703 1.32476087 1 Cr Cr2 1 1.51140703 1.51140703 4.89320962 1 Sn Sn3 1 0.00000000 0.00000000 3.10898524 1 [/CIF]
BeCr2Sn
P4/mmm
123
tetragonal
4/mmm
6,772.212297
false
[CIF] data_Mn3TcGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62491065 _cell_length_b 4.62491065 _cell_length_c 4.62491065 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn3TcGe _chemical_formula_sum 'Mn3 Tc1 Ge1' _cell_volume 98.92590698 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mn Mn1 1 2.31245533 0.00000000 2.31245533 1 Mn Mn2 1 2.31245533 2.31245533 0.00000000 1 Mn Mn3 1 0.00000000 2.31245533 2.31245533 1 Tc Tc4 1 2.31245533 2.31245533 2.31245533 1 [/CIF]
GeMn3Tc
Pm-3m
221
cubic
m-3m
5,646.038472
false
[CIF] data_Na2AlRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.77281424 _cell_length_b 5.77281424 _cell_length_c 5.77281424 _cell_angle_alpha 142.11732061 _cell_angle_beta 142.11732061 _cell_angle_gamma 54.65211597 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2AlRh _chemical_formula_sum 'Na2 Al1 Rh1' _cell_volume 72.03314214 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Na Na1 1 1.87385520 0.00000000 2.56430876 1 Na Na2 1 0.00000000 1.87385520 2.56430876 1 Rh Rh3 1 0.00000000 0.00000000 5.12861752 1 [/CIF]
AlNa2Rh
I4/mmm
139
tetragonal
4/mmm
4,054.152203
false
[CIF] data_TaGaBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46238507 _cell_length_b 4.46238507 _cell_length_c 4.46238507 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaGaBr _chemical_formula_sum 'Ta1 Ga1 Br1' _cell_volume 62.83275934 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 1.57769137 1.57769137 1.57769137 1 Ga Ga1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 3.15538274 3.15538274 3.15538274 1 [/CIF]
BrGaTa
F-43m
216
cubic
-43m
8,736.406111
false
[CIF] data_LiHo2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95196637 _cell_length_b 4.95196637 _cell_length_c 4.95196637 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiHo2Pt _chemical_formula_sum 'Li1 Ho2 Pt1' _cell_volume 85.86537320 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ho Ho1 1 5.25235350 5.25235350 5.25235350 1 Ho Ho2 1 1.75078450 1.75078450 1.75078450 1 Pt Pt3 1 3.50156900 3.50156900 3.50156900 1 [/CIF]
Ho2LiPt
Fm-3m
225
cubic
m-3m
10,286.065864
false
[CIF] data_Ga2FePt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38804518 _cell_length_b 4.38804518 _cell_length_c 4.38804518 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2FePt _chemical_formula_sum 'Ga2 Fe1 Pt1' _cell_volume 59.74454698 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 3.10281650 3.10281650 3.10281650 1 Ga Ga2 1 4.65422475 4.65422475 4.65422475 1 Pt Pt3 1 1.55140825 1.55140825 1.55140825 1 [/CIF]
FeGa2Pt
F-43m
216
cubic
-43m
10,850.077051
false
[CIF] data_ZrInGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.72684538 _cell_length_b 5.72684538 _cell_length_c 5.72684538 _cell_angle_alpha 138.90336708 _cell_angle_beta 138.90336708 _cell_angle_gamma 59.52222858 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrInGe2 _chemical_formula_sum 'Zr1 In1 Ge2' _cell_volume 80.34975093 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.01010632 2.48574452 1 Ge Ge1 1 0.00000000 0.00000000 0.00000000 1 In In2 1 2.01010632 0.00000000 2.48574452 1 Zr Zr3 1 0.00000000 0.00000000 4.97148903 1 [/CIF]
Ge2InZr
I-4m2
119
tetragonal
-42m
7,260.556495
false
[CIF] data_Ca2LaMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.83542923 _cell_length_b 6.83542923 _cell_length_c 6.83542923 _cell_angle_alpha 150.23704361 _cell_angle_beta 128.13836669 _cell_angle_gamma 60.94498042 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2LaMo _chemical_formula_sum 'Ca2 La1 Mo1' _cell_volume 123.65028818 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.98903446 0.60111728 1 Ca Ca1 1 0.00000000 0.00000000 2.87697528 1 La La2 1 -0.00000000 2.98903446 5.13927534 1 Mo Mo3 1 -0.00000000 -0.00000000 9.05644262 1 [/CIF]
Ca2LaMo
Imm2
44
orthorhombic
mm2
4,230.601767
false
[CIF] data_Cd2FePt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.39967340 _cell_length_b 9.39967340 _cell_length_c 9.39967340 _cell_angle_alpha 17.89736654 _cell_angle_beta 17.89736654 _cell_angle_gamma 17.89736654 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2FePt _chemical_formula_sum 'Cd2 Fe1 Pt1' _cell_volume 68.47733704 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.98354880 1 Cd Cd1 1 -0.00000000 0.00000000 20.75687841 1 Fe Fe2 1 -0.00000000 -0.00000000 -0.00000000 1 Pt Pt3 1 -0.00000000 0.00000000 13.87021361 1 [/CIF]
Cd2FePt
R-3m
166
trigonal
-3m
11,536.709147
false
[CIF] data_LaTaGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94842847 _cell_length_b 4.94842847 _cell_length_c 4.94842847 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTaGa _chemical_formula_sum 'La1 Ta1 Ga1' _cell_volume 85.68146702 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 5.24860099 5.24860100 5.24860100 1 Ta Ta2 1 3.49906733 3.49906733 3.49906733 1 [/CIF]
GaLaTa
F-43m
216
cubic
-43m
7,550.136232
false
[CIF] data_ScBeAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05406444 _cell_length_b 5.05406444 _cell_length_c 5.05406444 _cell_angle_alpha 139.84292836 _cell_angle_beta 124.83531332 _cell_angle_gamma 70.39711656 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScBeAg2 _chemical_formula_sum 'Sc1 Be1 Ag2' _cell_volume 67.07726368 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.34014765 2.37251187 1 Ag Ag1 1 1.73510008 -0.00000000 1.75746441 1 Be Be2 1 0.00000000 0.00000000 0.00000000 1 Sc Sc3 1 0.00000000 0.00000000 4.12997628 1 [/CIF]
Ag2BeSc
Immm
71
orthorhombic
mmm
6,676.701279
false
[CIF] data_AlAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08307651 _cell_length_b 2.93759496 _cell_length_c 9.27000630 _cell_angle_alpha 90.00000000 _cell_angle_beta 101.54085814 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlAg _chemical_formula_sum 'Al4 Ag4' _cell_volume 135.62138415 _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 Ag Ag0 1 -0.01171809 0.00000000 0.08827476 1 Ag Ag1 1 2.38146188 1.46879748 6.73437175 1 Ag Ag2 1 2.51356145 1.46879748 0.01365449 1 Ag Ag3 1 -0.84281712 1.46879748 4.51271661 1 Al Al4 1 1.63957437 0.00000000 4.50989937 1 Al Al5 1 0.83406034 1.46879748 2.25851001 1 Al Al6 1 -0.17306652 0.00000000 6.86430026 1 Al Al7 1 3.34431514 0.00000000 2.26603657 1 [/CIF]
Ag4Al4
Pm
6
monoclinic
m
6,604.364362
false
[CIF] data_Co2BSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.95240597 _cell_length_b 2.95240597 _cell_length_c 5.89945660 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2BSb _chemical_formula_sum 'Co2 B1 Sb1' _cell_volume 51.42379933 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.24646020 1 Co Co1 1 1.47620299 1.47620299 5.37250605 1 Co Co2 1 0.00000000 0.00000000 1.31070664 1 Sb Sb3 1 1.47620299 1.47620299 2.81896867 1 [/CIF]
BCo2Sb
P4mm
99
tetragonal
4mm
8,086.938057
false
[CIF] data_TaCuRuPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54881950 _cell_length_b 4.54881950 _cell_length_c 4.54881950 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaCuRuPb _chemical_formula_sum 'Ta1 Cu1 Ru1 Pb1' _cell_volume 66.55506552 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ta Ta0 1 4.82475168 4.82475168 4.82475168 1 Ru Ru1 1 1.60825056 1.60825056 1.60825056 1 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1 Pb Pb3 1 3.21650112 3.21650112 3.21650112 1 [/CIF]
CuPbRuTa
F-43m
216
cubic
-43m
13,791.377262
false
[CIF] data_MgScAgHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81820019 _cell_length_b 4.81820019 _cell_length_c 4.81820019 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgScAgHg _chemical_formula_sum 'Mg1 Sc1 Ag1 Hg1' _cell_volume 79.09326876 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.40698203 3.40698203 3.40698203 1 Hg Hg1 1 1.70349101 1.70349101 1.70349102 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Sc Sc3 1 5.11047304 5.11047304 5.11047305 1 [/CIF]
AgHgMgSc
F-43m
216
cubic
-43m
7,930.097612
false
[CIF] data_LiCr2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.55258096 _cell_length_b 4.73741077 _cell_length_c 4.50581480 _cell_angle_alpha 90.00000000 _cell_angle_beta 100.47417543 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCr2Ag _chemical_formula_sum 'Li1 Cr2 Ag1' _cell_volume 53.57920474 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.86672920 0.00000000 2.21536708 1 Cr Cr1 1 1.77430854 2.36870539 1.09759941 1 Cr Cr2 1 -0.04085015 2.36870539 3.33313475 1 Li Li3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgCr2Li
P2/m
10
monoclinic
2/m
6,781.143436
false
[CIF] data_ReTcAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27961909 _cell_length_b 4.27961909 _cell_length_c 4.27961909 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReTcAg _chemical_formula_sum 'Re1 Tc1 Ag1' _cell_volume 55.42431710 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.02614768 3.02614768 3.02614768 1 Re Re1 1 1.51307384 1.51307384 1.51307384 1 Tc Tc2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgReTc
F-43m
216
cubic
-43m
11,773.910827
false
[CIF] data_Sr3SnSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.19766065 _cell_length_b 6.19766065 _cell_length_c 6.19766065 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr3SnSe _chemical_formula_sum 'Sr3 Sn1 Se1' _cell_volume 238.05832793 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.09883033 0.00000000 3.09883033 1 Sr Sr1 1 3.09883033 3.09883033 0.00000000 1 Sr Sr2 1 0.00000000 3.09883033 3.09883033 1 Sn Sn3 1 3.09883033 3.09883033 3.09883033 1 Se Se4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
SeSnSr3
Pm-3m
221
cubic
m-3m
3,212.355825
false
[CIF] data_Ca2IrPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92511797 _cell_length_b 4.92511797 _cell_length_c 3.98282500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.68908341 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2IrPb _chemical_formula_sum 'Ca2 Ir1 Pb1' _cell_volume 96.60355070 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.73078967 1.75173167 1.99141250 1 Ca Ca1 1 1.73078967 -1.75173168 1.99141250 1 Ir Ir2 1 -0.00000000 -0.00000000 0.00000000 1 Pb Pb3 1 3.46157935 -0.00000000 0.00000000 1 [/CIF]
Ca2IrPb
Cmmm
65
orthorhombic
mmm
8,243.543052
false
[CIF] data_HfReAgPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60980197 _cell_length_b 4.60980197 _cell_length_c 4.60980197 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfReAgPt _chemical_formula_sum 'Hf1 Re1 Ag1 Pt1' _cell_volume 69.26786606 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 0.00000000 1 Hf Hf1 1 4.88943335 4.88943335 4.88943335 1 Pt Pt2 1 3.25962223 3.25962223 3.25962223 1 Re Re3 1 1.62981112 1.62981112 1.62981111 1 [/CIF]
AgHfPtRe
F-43m
216
cubic
-43m
16,005.366448
false
[CIF] data_V3(O2F)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69059000 _cell_length_b 5.61887750 _cell_length_c 7.71569734 _cell_angle_alpha 85.51944661 _cell_angle_beta 88.66446225 _cell_angle_gamma 88.59657702 _symmetry_Int_Tables_number 1 _chemical_formula_structural V3(O2F)2 _chemical_formula_sum 'V6 O8 F4' _cell_volume 202.62478419 _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 V V0 1 2.55273138 5.07086236 5.18132380 1 V V1 1 2.56267312 3.37712339 7.58826336 1 V V2 1 2.56934638 1.13798968 2.64397137 1 V V3 1 0.19837333 2.31135986 5.15792977 1 V V4 1 4.56793676 3.90474763 2.50466077 1 V V5 1 0.04513724 0.01548252 0.02578573 1 O O6 1 3.93474157 2.34762204 3.30296473 1 O O7 1 3.89648048 3.97403133 0.81263876 1 O O8 1 3.24582864 1.16691432 0.92106493 1 O O9 1 3.50510293 3.48155722 5.80130403 1 O O10 1 3.53453483 5.13236089 3.33680224 1 O O11 1 1.61535126 1.11315144 4.23014348 1 O O12 1 1.67350940 5.02332890 6.90020050 1 O O13 1 1.11599641 2.19575717 6.91152069 1 F F14 1 3.90196774 0.66859948 5.92381892 1 F F15 1 1.49114865 2.78885608 1.86220935 1 F F16 1 1.12272798 5.52097477 1.85485738 1 F F17 1 1.12465446 3.90219752 4.25364517 1 [/CIF]
F4O8V6
P1
1
triclinic
1
4,176.554716
false
[CIF] data_BaZn2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47737981 _cell_length_b 4.47737981 _cell_length_c 6.23940120 _cell_angle_alpha 110.27501844 _cell_angle_beta 110.27501844 _cell_angle_gamma 59.69173970 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaZn2Pd _chemical_formula_sum 'Ba1 Zn2 Pd1' _cell_volume 98.99283296 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.63716411 0.00000000 2.85991201 1 Pd Pd1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 0.09152860 -0.00000000 5.22959278 1 Zn Zn3 1 5.18279961 -0.00000000 0.49023125 1 [/CIF]
BaPdZn2
C2/m
12
monoclinic
2/m
6,282.106346
false
[CIF] data_Mn7Co17O32 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.08547280 _cell_length_b 8.11854065 _cell_length_c 8.32908651 _cell_angle_alpha 90.26532171 _cell_angle_beta 90.01762524 _cell_angle_gamma 90.04641194 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn7Co17O32 _chemical_formula_sum 'Mn7 Co17 O32' _cell_volume 546.73382445 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.05747655 1.02597978 1.05190054 1 Co Co1 1 0.97135963 7.07473060 7.28487484 1 Co Co2 1 3.03069872 5.06704008 1.01588601 1 Co Co3 1 5.07206471 3.01556011 7.29841455 1 Co Co4 1 7.04026882 5.02836765 5.23495388 1 Co Co5 1 0.99492659 3.01356977 3.11499825 1 Co Co6 1 3.06349890 0.99491830 5.20964941 1 Co Co7 1 5.07706306 7.10057982 3.11750955 1 Co Co8 1 6.05298335 6.06305563 0.01027586 1 Co Co9 1 8.05133108 2.02008664 6.20393565 1 Co Co10 1 4.06934590 8.11586515 0.01027791 1 Co Co11 1 6.06242672 4.02199526 2.03522055 1 Co Co12 1 6.06918910 2.02287156 4.11661190 1 Co Co13 1 8.06009087 0.01406407 4.17911157 1 Co Co14 1 4.07860135 2.00329802 2.06980777 1 Co Co15 1 4.05660195 6.06104843 6.31523858 1 Co Co16 1 8.04727666 3.98317065 8.32812969 1 Mn Mn17 1 4.07104611 4.06595654 4.11038696 1 Mn Mn18 1 6.05352636 -0.01002457 6.25982283 1 Mn Mn19 1 2.03841784 0.00660748 2.10112726 1 Mn Mn20 1 2.01268613 2.00208366 0.00040928 1 Mn Mn21 1 8.04737479 6.06965107 2.05129248 1 Mn Mn22 1 2.01980601 4.03253360 6.29176433 1 Mn Mn23 1 1.99443397 6.10151064 4.22527067 1 O O24 1 5.96625149 2.13108286 2.19942689 1 O O25 1 2.13369914 5.93700621 6.27558057 1 O O26 1 4.14276861 6.16113716 8.22159630 1 O O27 1 4.03302387 1.90971734 0.14721445 1 O O28 1 0.06074052 3.92878237 6.38697494 1 O O29 1 7.96544345 4.03830736 1.91819327 1 O O30 1 1.89089094 7.97376990 4.20591781 1 O O31 1 6.16932241 0.13184429 4.18584312 1 O O32 1 7.97856339 1.92622461 4.28977598 1 O O33 1 0.01363872 6.18716471 4.09957288 1 O O34 1 3.98616503 0.06935263 1.93009990 1 O O35 1 4.15161890 7.99380065 6.41061463 1 O O36 1 6.16067095 4.15239604 0.12725598 1 O O37 1 1.88126199 3.88765827 0.02831312 1 O O38 1 5.95500506 6.10445942 6.42400228 1 O O39 1 2.15917140 1.89400629 2.05423090 1 O O40 1 4.15588766 2.05350203 3.99932871 1 O O41 1 3.99714314 6.06348392 4.35851504 1 O O42 1 0.09062850 0.00363067 2.26060477 1 O O43 1 7.95526627 0.09232697 6.10668074 1 O O44 1 7.96283272 5.94963637 0.04917766 1 O O45 1 0.00002147 2.06965206 8.14246835 1 O O46 1 3.96182622 4.14559613 6.21248423 1 O O47 1 4.16135181 3.92157378 2.08303479 1 O O48 1 1.87489427 6.20279498 2.09301503 1 O O49 1 6.14410863 1.97984216 6.05755852 1 O O50 1 5.96821242 3.95070662 3.99373114 1 O O51 1 2.15305894 4.19049507 4.14638064 1 O O52 1 2.13604924 0.08739096 8.31655937 1 O O53 1 5.96670932 7.93591520 8.31639490 1 O O54 1 1.90526255 2.12055606 6.26514518 1 O O55 1 6.15003692 5.95219649 1.94040080 1 [/CIF]
Co17Mn7O32
P1
1
triclinic
1
5,765.852053
true
[CIF] data_InFeCoIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28554141 _cell_length_b 4.28554141 _cell_length_c 4.28554141 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InFeCoIr _chemical_formula_sum 'In1 Fe1 Co1 Ir1' _cell_volume 55.65473114 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.03033539 3.03033539 3.03033539 1 Fe Fe1 1 -0.00000000 -0.00000000 0.00000000 1 In In2 1 4.54550308 4.54550308 4.54550308 1 Ir Ir3 1 1.51516769 1.51516769 1.51516769 1 [/CIF]
CoFeInIr
F-43m
216
cubic
-43m
12,585.404238
false
[CIF] data_YbLu2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05896565 _cell_length_b 5.05896565 _cell_length_c 5.05896565 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YbLu2Pt _chemical_formula_sum 'Yb1 Lu2 Pt1' _cell_volume 91.55249682 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Lu Lu0 1 1.78861446 1.78861446 1.78861446 1 Lu Lu1 1 5.36584337 5.36584337 5.36584337 1 Pt Pt2 1 3.57722891 3.57722891 3.57722891 1 Yb Yb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Lu2PtYb
Fm-3m
225
cubic
m-3m
13,024.068003
false
[CIF] data_SrTaCdBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41292618 _cell_length_b 5.41292618 _cell_length_c 5.41292618 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTaCdBi _chemical_formula_sum 'Sr1 Ta1 Cd1 Bi1' _cell_volume 112.14536167 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.82751681 3.82751681 3.82751681 1 Cd Cd1 1 1.91375841 1.91375840 1.91375840 1 Sr Sr2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 5.74127521 5.74127521 5.74127521 1 [/CIF]
BiCdSrTa
F-43m
216
cubic
-43m
8,735.541243
false
[CIF] data_FeBi2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.93576855 _cell_length_b 5.93576855 _cell_length_c 5.93576855 _cell_angle_alpha 137.19770095 _cell_angle_beta 137.19770095 _cell_angle_gamma 62.13400605 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeBi2As _chemical_formula_sum 'Fe1 Bi2 As1' _cell_volume 95.40866645 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.16593502 -0.00000000 2.54218407 1 Bi Bi1 1 0.00000000 -0.00000000 5.08436813 1 Bi Bi2 1 -0.00000000 2.16593502 2.54218407 1 Fe Fe3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsBi2Fe
I-4m2
119
tetragonal
-42m
9,550.319887
false
[CIF] data_TiMnZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.13056166 _cell_length_b 4.13056166 _cell_length_c 4.13056166 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiMnZn _chemical_formula_sum 'Ti1 Mn1 Zn1' _cell_volume 49.83246048 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.46037408 1.46037408 1.46037408 1 Ti Ti1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 2.92074816 2.92074816 2.92074816 1 [/CIF]
MnTiZn
F-43m
216
cubic
-43m
5,604.335708
false
[CIF] data_NaTaMnBe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28048790 _cell_length_b 4.28048790 _cell_length_c 4.28048790 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTaMnBe _chemical_formula_sum 'Na1 Ta1 Mn1 Be1' _cell_volume 55.45807912 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mn Mn1 1 1.51338101 1.51338101 1.51338101 1 Na Na2 1 3.02676202 3.02676202 3.02676202 1 Ta Ta3 1 4.54014303 4.54014303 4.54014303 1 [/CIF]
BeMnNaTa
F-43m
216
cubic
-43m
8,021.162852
false
[CIF] data_YZr2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33240396 _cell_length_b 4.33240396 _cell_length_c 4.65119662 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YZr2Cu _chemical_formula_sum 'Y1 Zr2 Cu1' _cell_volume 87.30167716 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 0.00000000 0.00000000 0.00000000 1 Y Y1 1 2.16620198 2.16620198 0.00000000 1 Zr Zr2 1 2.16620198 0.00000000 2.32559831 1 Zr Zr3 1 0.00000000 2.16620198 2.32559831 1 [/CIF]
CuYZr2
P4/mmm
123
tetragonal
4/mmm
6,370.029791
false
[CIF] data_CaY2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.90283916 _cell_length_b 5.90283916 _cell_length_c 3.66463371 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 107.60677019 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaY2Sn _chemical_formula_sum 'Ca1 Y2 Sn1' _cell_volume 121.70711581 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sn Sn1 1 3.48596883 0.00000000 0.00000000 1 Y Y2 1 1.74298442 -2.38178145 1.83231685 1 Y Y3 1 1.74298441 2.38178144 1.83231685 1 [/CIF]
CaSnY2
Cmmm
65
orthorhombic
mmm
4,592.475534
false
[CIF] data_KCdGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10724672 _cell_length_b 5.10724672 _cell_length_c 5.10724672 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCdGe _chemical_formula_sum 'K1 Cd1 Ge1' _cell_volume 94.19883184 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 3.61136879 3.61136879 3.61136879 1 Ge Ge1 1 1.80568440 1.80568440 1.80568440 1 K K2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdGeK
F-43m
216
cubic
-43m
3,951.30876
false
[CIF] data_SrZn2Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25451235 _cell_length_b 3.25451235 _cell_length_c 7.06231801 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrZn2Fe _chemical_formula_sum 'Sr1 Zn2 Fe1' _cell_volume 74.80301751 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sr Sr1 1 0.00000000 0.00000000 3.53115900 1 Zn Zn2 1 1.62725618 1.62725618 5.84044455 1 Zn Zn3 1 1.62725618 1.62725618 1.22187346 1 [/CIF]
FeSrZn2
P4/mmm
123
tetragonal
4/mmm
6,087.472681
false
[CIF] data_Ga2FePb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.27684635 _cell_length_b 3.27684635 _cell_length_c 7.01100378 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2FePb _chemical_formula_sum 'Ga2 Fe1 Pb1' _cell_volume 75.28220954 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.83341063 1 Ga Ga1 1 1.63842317 1.63842317 6.66947346 1 Ga Ga2 1 0.00000000 0.00000000 1.33592041 1 Pb Pb3 1 1.63842317 1.63842317 3.68870496 1 [/CIF]
FeGa2Pb
P4mm
99
tetragonal
4mm
8,878.368805
false
[CIF] data_SrTl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.06009900 _cell_length_b 4.06009900 _cell_length_c 4.06009900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTl _chemical_formula_sum 'Sr1 Tl1' _cell_volume 66.92831175 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Tl Tl1 1 2.03004950 2.03004950 2.03004950 1 [/CIF]
SrTl
Pm-3m
221
cubic
m-3m
7,244.809776
false
[CIF] data_NbCoMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01564147 _cell_length_b 5.01564147 _cell_length_c 5.01564147 _cell_angle_alpha 135.63433097 _cell_angle_beta 135.63433097 _cell_angle_gamma 64.54617471 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCoMo2 _chemical_formula_sum 'Nb1 Co1 Mo2' _cell_volume 60.83301465 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 1.89372257 0.00000000 2.12039436 1 Mo Mo2 1 0.00000000 1.89372257 2.12039436 1 Nb Nb3 1 0.00000000 0.00000000 4.24078873 1 [/CIF]
CoMo2Nb
I4/mmm
139
tetragonal
4/mmm
9,383.493603
false
[CIF] data_Al2InTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.09128209 _cell_length_b 3.09128209 _cell_length_c 7.93787213 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2InTc _chemical_formula_sum 'Al2 In1 Tc1' _cell_volume 75.85450420 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.54564104 1.54564104 1.39984915 1 Al Al1 1 1.54564104 1.54564104 6.53802298 1 In In2 1 0.00000000 0.00000000 3.96893607 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al2InTc
P4/mmm
123
tetragonal
4/mmm
5,859.970823
false
[CIF] data_Ca2FeCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31345284 _cell_length_b 5.31345284 _cell_length_c 3.32246939 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2FeCl _chemical_formula_sum 'Ca2 Fe1 Cl1' _cell_volume 93.80255094 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.65672642 0.00000000 1.66123470 1 Ca Ca1 1 0.00000000 2.65672642 1.66123470 1 Cl Cl2 1 0.00000000 0.00000000 0.00000000 1 Fe Fe3 1 2.65672642 2.65672642 0.00000000 1 [/CIF]
Ca2ClFe
P4/mmm
123
tetragonal
4/mmm
3,035.163354
false
[CIF] data_CrSi2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41481714 _cell_length_b 4.41481714 _cell_length_c 4.41481714 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrSi2Ge _chemical_formula_sum 'Cr1 Si2 Ge1' _cell_volume 60.84475731 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.12174714 3.12174714 3.12174714 1 Ge Ge1 1 4.68262071 4.68262071 4.68262071 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 Si Si3 1 1.56087357 1.56087357 1.56087357 1 [/CIF]
CrGeSi2
F-43m
216
cubic
-43m
4,934.480247
false
[CIF] data_Y3SnSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.61788200 _cell_length_b 5.61788200 _cell_length_c 5.61788200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y3SnSb _chemical_formula_sum 'Y3 Sn1 Sb1' _cell_volume 177.30371635 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Y Y0 1 2.80894100 0.00000000 2.80894100 1 Y Y1 1 2.80894100 2.80894100 0.00000000 1 Y Y2 1 0.00000000 2.80894100 2.80894100 1 Sb Sb3 1 2.80894100 2.80894100 2.80894100 1 Sn Sn4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
SbSnY3
Pm-3m
221
cubic
m-3m
4,750.068178
false
[CIF] data_ScVGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47596555 _cell_length_b 4.47596555 _cell_length_c 4.95419843 _cell_angle_alpha 109.93360418 _cell_angle_beta 109.93360418 _cell_angle_gamma 47.95695666 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScVGe2 _chemical_formula_sum 'Sc1 V1 Ge2' _cell_volume 68.38649343 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.67393537 -0.00000000 1.41433123 1 Ge Ge1 1 0.65685262 -0.00000000 3.18206433 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 3.16539400 -0.00000000 2.29819778 1 [/CIF]
Ge2ScV
C2/m
12
monoclinic
2/m
5,856.193153
false
[CIF] data_Li2BiRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.17138235 _cell_length_b 4.47724451 _cell_length_c 5.12964464 _cell_angle_alpha 90.00000000 _cell_angle_beta 104.26558982 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2BiRu _chemical_formula_sum 'Li2 Bi1 Ru1' _cell_volume 70.59012080 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.95367534 0.00000000 2.48573319 1 Li Li1 1 -0.17960570 2.23862226 3.88286683 1 Li Li2 1 2.08695638 2.23862226 1.08859956 1 Ru Ru3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiLi2Ru
P2/m
10
monoclinic
2/m
7,620.08053
false
[CIF] data_VRe2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.03272545 _cell_length_b 4.04465369 _cell_length_c 4.53545276 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VRe2Si _chemical_formula_sum 'V1 Re2 Si1' _cell_volume 55.63333387 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Re Re0 1 1.51636273 2.02232684 0.00000000 1 Re Re1 1 0.00000000 2.02232684 2.26772638 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 1.51636273 0.00000000 2.26772638 1 [/CIF]
Re2SiV
Pmmm
47
orthorhombic
mmm
13,474.57297
false
[CIF] data_ZrPdRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88004073 _cell_length_b 4.88004073 _cell_length_c 4.88004073 _cell_angle_alpha 131.21706872 _cell_angle_beta 131.21706872 _cell_angle_gamma 71.46842856 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrPdRu2 _chemical_formula_sum 'Zr1 Pd1 Ru2' _cell_volume 64.35451104 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 3.96129947 1 Ru Ru1 1 0.00000000 2.01530445 1.98064973 1 Ru Ru2 1 2.01530445 0.00000000 1.98064973 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PdRu2Zr
I4/mmm
139
tetragonal
4/mmm
10,315.624181
false
[CIF] data_SmTh2Zn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41504212 _cell_length_b 5.41504212 _cell_length_c 5.41504212 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmTh2Zn _chemical_formula_sum 'Sm1 Th2 Zn1' _cell_volume 112.27692716 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sm Sm0 1 3.82901300 3.82901300 3.82901300 1 Th Th1 1 1.91450650 1.91450650 1.91450650 1 Th Th2 1 5.74351950 5.74351950 5.74351950 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
SmTh2Zn
Fm-3m
225
cubic
m-3m
10,054.258287
false
[CIF] data_Y4SnCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.36558377 _cell_length_b 6.36558377 _cell_length_c 6.36558377 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y4SnCl _chemical_formula_sum 'Y4 Sn1 Cl1' _cell_volume 182.38945073 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sn Sn1 1 2.25057373 2.25057373 2.25057373 1 Y Y2 1 3.39241320 3.39241320 5.60988170 1 Y Y3 1 3.39241320 5.60988170 3.39241320 1 Y Y4 1 5.60988170 3.39241320 3.39241320 1 Y Y5 1 5.60988170 5.60988170 5.60988170 1 [/CIF]
ClSnY4
F-43m
216
cubic
-43m
4,641.278481
false
[CIF] data_Cs3ScN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.20085824 _cell_length_b 6.20085824 _cell_length_c 6.20085824 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs3ScN _chemical_formula_sum 'Cs3 Sc1 N1' _cell_volume 238.42698594 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cs Cs0 1 0.00000000 3.10042912 0.00000000 1 Cs Cs1 1 0.00000000 0.00000000 3.10042912 1 Cs Cs2 1 3.10042912 0.00000000 0.00000000 1 Sc Sc3 1 3.10042912 3.10042912 3.10042912 1 N N4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cs3NSc
Pm-3m
221
cubic
m-3m
3,187.532665
false
[CIF] data_YTlO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37308112 _cell_length_b 4.37308112 _cell_length_c 4.37308112 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTlO3 _chemical_formula_sum 'Y1 Tl1 O3' _cell_volume 83.63009701 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O O0 1 0.00000000 0.00000000 2.18654056 1 O O1 1 2.18654056 0.00000000 0.00000000 1 O O2 1 0.00000000 2.18654056 0.00000000 1 Tl Tl3 1 2.18654056 2.18654056 2.18654056 1 Y Y4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
O3TlY
Pm-3m
221
cubic
m-3m
6,776.519434
false
[CIF] data_HfVIrPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68347859 _cell_length_b 4.68347859 _cell_length_c 4.68347859 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfVIrPb _chemical_formula_sum 'Hf1 V1 Ir1 Pb1' _cell_volume 72.64247284 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.96757921 4.96757921 4.96757921 1 Ir Ir1 1 1.65585974 1.65585974 1.65585974 1 Pb Pb2 1 3.31171947 3.31171947 3.31171947 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfIrPbV
F-43m
216
cubic
-43m
14,374.889241
false
[CIF] data_Ba2VSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.53544735 _cell_length_b 4.64736083 _cell_length_c 7.32210799 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2VSi _chemical_formula_sum 'Ba2 V1 Si1' _cell_volume 120.30589190 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.76772368 2.32368042 5.58090236 1 Ba Ba1 1 1.76772368 2.32368042 1.74120563 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 0.00000000 0.00000000 3.66105400 1 [/CIF]
Ba2SiV
Pmmm
47
orthorhombic
mmm
4,881.731961
false
[CIF] data_Co2CuIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.89455904 _cell_length_b 2.89455904 _cell_length_c 5.83322273 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2CuIr _chemical_formula_sum 'Co2 Cu1 Ir1' _cell_volume 48.87349352 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.15937484 1 Co Co1 1 1.44727952 1.44727952 1.39977419 1 Cu Cu2 1 0.00000000 0.00000000 2.79662588 1 Ir Ir3 1 1.44727952 1.44727952 4.39405918 1 [/CIF]
Co2CuIr
P4mm
99
tetragonal
4mm
12,694.533454
false
[CIF] data_HgTeRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23745562 _cell_length_b 4.23745562 _cell_length_c 4.36427624 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgTeRh _chemical_formula_sum 'Hg1 Te1 Rh1' _cell_volume 67.86614618 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.11872783 1.22324806 0.20259856 1 Rh Rh1 1 0.00000000 0.00000000 1.58489909 1 Te Te2 1 0.00000002 2.44649613 2.57677863 1 [/CIF]
HgRhTe
P3m1
156
trigonal
3m
10,547.982449
false
[CIF] data_CaAgPtRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68692237 _cell_length_b 4.68692237 _cell_length_c 4.68692237 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaAgPtRh _chemical_formula_sum 'Ca1 Ag1 Pt1 Rh1' _cell_volume 72.80283356 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.65707729 1.65707729 1.65707729 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 3.31415459 3.31415459 3.31415459 1 Rh Rh3 1 4.97123189 4.97123188 4.97123188 1 [/CIF]
AgCaPtRh
F-43m
216
cubic
-43m
10,171.220196
false
[CIF] data_LaZnW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.14346410 _cell_length_b 6.14346410 _cell_length_c 6.14346410 _cell_angle_alpha 154.27649854 _cell_angle_beta 129.43822493 _cell_angle_gamma 57.57840618 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaZnW2 _chemical_formula_sum 'La1 Zn1 W2' _cell_volume 77.26984343 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.38411625 1 W W1 1 -0.00000000 2.62360480 2.96183455 1 W W2 1 1.36753105 0.00000000 2.42228170 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
LaW2Zn
Immm
71
orthorhombic
mmm
12,291.612944
false
[CIF] data_Mn2SiMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.14784440 _cell_length_b 4.14784440 _cell_length_c 4.14784440 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2SiMo _chemical_formula_sum 'Mn2 Si1 Mo1' _cell_volume 50.46059527 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.46648445 1.46648445 1.46648445 1 Mn Mn1 1 2.93296890 2.93296890 2.93296890 1 Mo Mo2 1 4.39945335 4.39945335 4.39945335 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mn2MoSi
F-43m
216
cubic
-43m
7,697.807302
false
[CIF] data_TiCrRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20375575 _cell_length_b 4.20375575 _cell_length_c 4.20375575 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCrRh _chemical_formula_sum 'Ti1 Cr1 Rh1' _cell_volume 52.52879357 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 2.97250420 2.97250420 2.97250420 1 Rh Rh1 1 4.45875630 4.45875630 4.45875630 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CrRhTi
F-43m
216
cubic
-43m
6,409.916522
false
[CIF] data_KGaW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74663206 _cell_length_b 4.74663206 _cell_length_c 4.74663206 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KGaW _chemical_formula_sum 'K1 Ga1 W1' _cell_volume 75.62087669 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.35637572 3.35637572 3.35637572 1 K K1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 5.03456358 5.03456358 5.03456358 1 [/CIF]
GaKW
F-43m
216
cubic
-43m
6,426.472996
false
[CIF] data_NaGeB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.56532304 _cell_length_b 3.56532304 _cell_length_c 4.65999183 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaGeB _chemical_formula_sum 'Na1 Ge1 B1' _cell_volume 51.29955046 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.80368624 1 Ge Ge1 1 1.78266152 1.02922011 0.77585108 1 Na Na2 1 0.00000000 2.05844022 3.08045451 1 [/CIF]
BGeNa
P3m1
156
trigonal
3m
3,445.43089
false
[CIF] data_NbNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57679172 _cell_length_b 4.57679172 _cell_length_c 5.41269849 _cell_angle_alpha 106.40326026 _cell_angle_beta 106.40326026 _cell_angle_gamma 46.49646495 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbNi2 _chemical_formula_sum 'Nb2 Ni4' _cell_volume 78.25741081 _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 Nb Nb0 1 4.17131186 -0.00000000 4.16670248 1 Nb Nb1 1 2.57542800 -0.00000000 0.98399922 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Ni Ni3 1 5.06405284 -0.00000000 1.71540247 1 Ni Ni4 1 -0.83180181 0.00000000 2.57535085 1 Ni Ni5 1 1.68268702 -0.00000000 3.43529923 1 [/CIF]
Nb2Ni4
C2/m
12
monoclinic
2/m
8,924.395459
false
[CIF] data_ZrRe2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50848612 _cell_length_b 4.50848612 _cell_length_c 4.50848612 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrRe2Ru _chemical_formula_sum 'Zr1 Re2 Ru1' _cell_volume 64.80032944 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Re Re0 1 1.59399056 1.59399056 1.59399055 1 Re Re1 1 3.18798111 3.18798111 3.18798111 1 Ru Ru2 1 4.78197167 4.78197167 4.78197167 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Re2RuZr
F-43m
216
cubic
-43m
14,470.909382
false
[CIF] data_ScP2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.42833314 _cell_length_b 3.74772367 _cell_length_c 5.28127858 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScP2Pd _chemical_formula_sum 'Sc1 P2 Pd1' _cell_volume 67.85621860 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.71416657 1.87386184 1.11977614 1 P P1 1 1.71416657 1.87386184 4.16150244 1 Pd Pd2 1 1.71416657 0.00000000 2.64063929 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
P2PdSc
Pmmm
47
orthorhombic
mmm
5,220.385626
false
[CIF] data_GaNiMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.69599261 _cell_length_b 4.10508826 _cell_length_c 5.18271302 _cell_angle_alpha 90.00000000 _cell_angle_beta 94.14711932 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaNiMo2 _chemical_formula_sum 'Ga1 Ni1 Mo2' _cell_volume 57.20839060 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.18740095 0.00000000 2.58457142 1 Mo Mo1 1 1.09876661 2.05254413 3.91770334 1 Mo Mo2 1 1.22242410 2.05254413 1.25143951 1 Ni Ni3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GaMo2Ni
P2/m
10
monoclinic
2/m
9,298.13094
false
[CIF] data_La2TiB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87529456 _cell_length_b 4.87529456 _cell_length_c 5.59158692 _cell_angle_alpha 105.35005472 _cell_angle_beta 105.35005472 _cell_angle_gamma 47.30707393 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2TiB _chemical_formula_sum 'La2 Ti1 B1' _cell_volume 93.51583432 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 0.00000000 1 La La1 1 1.16730612 -0.00000000 4.26128409 1 La La2 1 6.14818079 0.00000000 1.09171398 1 Ti Ti3 1 3.65774345 0.00000000 2.67649903 1 [/CIF]
BLa2Ti
C2/m
12
monoclinic
2/m
5,974.956374
false
[CIF] data_Li2CaY _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41058576 _cell_length_b 5.41058576 _cell_length_c 5.41058576 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2CaY _chemical_formula_sum 'Li2 Ca1 Y1' _cell_volume 111.99995736 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Li Li1 1 5.73879282 5.73879282 5.73879282 1 Li Li2 1 1.91293094 1.91293094 1.91293094 1 Y Y3 1 3.82586188 3.82586188 3.82586188 1 [/CIF]
CaLi2Y
Fm-3m
225
cubic
m-3m
2,118.164424
false
[CIF] data_NbZnP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20388337 _cell_length_b 4.20388337 _cell_length_c 4.20388337 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbZnP _chemical_formula_sum 'Nb1 Zn1 P1' _cell_volume 52.53357776 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.97259444 2.97259444 2.97259444 1 P P1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 1.48629722 1.48629722 1.48629722 1 [/CIF]
NbPZn
F-43m
216
cubic
-43m
5,982.342588
false
[CIF] data_AlTlP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63288098 _cell_length_b 4.63288098 _cell_length_c 4.63288098 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlTlP _chemical_formula_sum 'Al1 Tl1 P1' _cell_volume 70.31345409 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 P P1 1 4.91391234 4.91391234 4.91391234 1 Tl Tl2 1 1.63797078 1.63797078 1.63797078 1 [/CIF]
AlPTl
F-43m
216
cubic
-43m
6,195.450083
false
[CIF] data_NbAlGa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08529505 _cell_length_b 3.86753887 _cell_length_c 5.53595447 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbAlGa2 _chemical_formula_sum 'Nb1 Al1 Ga2' _cell_volume 66.05776858 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 1.54264753 1.93376944 1.38325676 1 Ga Ga2 1 1.54264753 1.93376944 4.15269771 1 Nb Nb3 1 0.00000000 0.00000000 2.76797724 1 [/CIF]
AlGa2Nb
Pmmm
47
orthorhombic
mmm
6,519.053131
false
[CIF] data_Na2ScP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97536924 _cell_length_b 3.97536924 _cell_length_c 5.13559428 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2ScP _chemical_formula_sum 'Na2 Sc1 P1' _cell_volume 81.16067539 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 1.98768462 0.00000000 2.56779714 1 Na Na1 1 0.00000000 1.98768462 2.56779714 1 P P2 1 0.00000000 0.00000000 0.00000000 1 Sc Sc3 1 1.98768462 1.98768462 0.00000000 1 [/CIF]
Na2PSc
P4/mmm
123
tetragonal
4/mmm
2,494.249944
false
[CIF] data_CsZnNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79720435 _cell_length_b 4.79720435 _cell_length_c 4.79720435 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsZnNi2 _chemical_formula_sum 'Cs1 Zn1 Ni2' _cell_volume 78.06379486 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cs Cs0 1 3.39213573 3.39213573 3.39213573 1 Ni Ni1 1 1.69606786 1.69606786 1.69606786 1 Ni Ni2 1 5.08820359 5.08820359 5.08820359 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CsNi2Zn
Fm-3m
225
cubic
m-3m
6,714.842744
false
[CIF] data_Ba2BP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.05193889 _cell_length_b 6.05193889 _cell_length_c 4.82820187 _cell_angle_alpha 98.90729697 _cell_angle_beta 98.90729697 _cell_angle_gamma 41.47708451 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2BP _chemical_formula_sum 'Ba2 B1 P1' _cell_volume 115.50671963 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 3.21830434 0.00000000 1.13098146 1 Ba Ba1 1 0.13891880 0.00000000 0.40358515 1 Ba Ba2 1 7.85140196 -0.00000000 3.17607543 1 P P3 1 4.57174158 0.00000000 2.43171041 1 [/CIF]
BBa2P
Cm
8
monoclinic
m
4,549.163271
false
[CIF] data_Hg4TeOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.75599693 _cell_length_b 5.75599693 _cell_length_c 5.75599693 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hg4TeOs _chemical_formula_sum 'Hg4 Te1 Os1' _cell_volume 134.84866848 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.08354579 5.08354579 3.05666313 1 Hg Hg1 1 5.08354579 3.05666313 5.08354579 1 Hg Hg2 1 3.05666313 5.08354579 5.08354579 1 Hg Hg3 1 3.05666313 3.05666313 3.05666313 1 Os Os4 1 6.10515669 6.10515669 6.10515669 1 Te Te5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hg4OsTe
F-43m
216
cubic
-43m
13,794.12402
false
[CIF] data_KPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88186449 _cell_length_b 4.88186449 _cell_length_c 7.99143800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KPd _chemical_formula_sum 'K2 Pd2' _cell_volume 164.94038620 _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 2.44093225 1.40927289 3.98247351 1 K K1 1 0.00000000 2.81854578 7.97819251 1 Pd Pd2 1 2.44093225 1.40927289 6.97378799 1 Pd Pd3 1 0.00000000 2.81854578 2.97806899 1 [/CIF]
K2Pd2
P6_3mc
186
hexagonal
6mm
2,930.014023
false
[CIF] data_AlCuSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.54217494 _cell_length_b 6.54217494 _cell_length_c 3.49552905 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCuSi _chemical_formula_sum 'Al3 Cu3 Si3' _cell_volume 129.56504589 _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 Al Al0 1 1.77136609 0.00000000 1.74776453 1 Al Al1 1 -0.88568304 1.53404803 1.74776453 1 Al Al2 1 2.38540442 4.13164166 1.74776453 1 Cu Cu3 1 0.00000000 0.00000000 0.00000000 1 Cu Cu4 1 0.00000000 3.77712646 1.74776453 1 Cu Cu5 1 3.27108747 1.88856323 1.74776453 1 Si Si6 1 4.07886132 0.00000000 0.00000000 1 Si Si7 1 -2.03943066 3.53239752 0.00000000 1 Si Si8 1 1.23165681 2.13329217 0.00000000 1 [/CIF]
Al3Cu3Si3
P-62m
189
hexagonal
-6m2
4,560.609774
false
[CIF] data_MgSb2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84575612 _cell_length_b 4.84575612 _cell_length_c 4.84575612 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgSb2Os _chemical_formula_sum 'Mg1 Sb2 Os1' _cell_volume 80.45807915 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 5.13970052 5.13970052 5.13970052 1 Sb Sb2 1 3.42646701 3.42646701 3.42646701 1 Sb Sb3 1 1.71323351 1.71323351 1.71323350 1 [/CIF]
MgOsSb2
F-43m
216
cubic
-43m
9,453.596584
false
[CIF] data_BeSiPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.99481554 _cell_length_b 5.99481554 _cell_length_c 5.99481554 _cell_angle_alpha 148.43371953 _cell_angle_beta 148.43371953 _cell_angle_gamma 45.24551435 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeSiPb _chemical_formula_sum 'Be1 Si1 Pb1' _cell_volume 58.84976783 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.60890625 1 Pb Pb1 1 0.00000000 -0.00000000 3.67462382 1 Si Si2 1 0.00000000 0.00000000 6.78358892 1 [/CIF]
BePbSi
I4mm
107
tetragonal
4mm
6,893.244609
false
[CIF] data_SrGePt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90761001 _cell_length_b 4.90761001 _cell_length_c 4.90761001 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrGePt _chemical_formula_sum 'Sr1 Ge1 Pt1' _cell_volume 83.57860805 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 3.47020432 3.47020432 3.47020432 1 Sr Sr2 1 5.20530648 5.20530648 5.20530648 1 [/CIF]
GePtSr
F-43m
216
cubic
-43m
7,059.971539
false
[CIF] data_Cd2NiSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.06440100 _cell_length_b 3.06440100 _cell_length_c 8.62923030 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2NiSe _chemical_formula_sum 'Cd2 Ni1 Se1' _cell_volume 81.03324856 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.05681408 1 Cd Cd1 1 1.53220050 1.53220050 2.59172149 1 Ni Ni2 1 0.00000000 0.00000000 4.58355417 1 Se Se3 1 1.53220050 1.53220050 5.71175562 1 [/CIF]
Cd2NiSe
P4mm
99
tetragonal
4mm
7,427.899951
false
[CIF] data_Ba2InTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.83141200 _cell_length_b 3.83141200 _cell_length_c 9.43836064 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2InTc _chemical_formula_sum 'Ba2 In1 Tc1' _cell_volume 138.55247176 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.91570600 1.91570600 8.68558805 1 Ba Ba1 1 0.00000000 0.00000000 3.19847486 1 In In2 1 1.91570600 1.91570600 5.47099832 1 Tc Tc3 1 0.00000000 0.00000000 6.24084037 1 [/CIF]
Ba2InTc
P4mm
99
tetragonal
4mm
5,853.169345
false
[CIF] data_GaHg2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17514914 _cell_length_b 5.17514914 _cell_length_c 5.17514914 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaHg2Se _chemical_formula_sum 'Ga1 Hg2 Se1' _cell_volume 98.00621387 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 5.48907458 5.48907458 5.48907457 1 Hg Hg2 1 1.82969152 1.82969152 1.82969152 1 Se Se3 1 3.65938305 3.65938305 3.65938305 1 [/CIF]
GaHg2Se
Fm-3m
225
cubic
m-3m
9,316.439813
false
[CIF] data_Ca2CrBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.69255101 _cell_length_b 4.37554639 _cell_length_c 7.18719575 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2CrBi _chemical_formula_sum 'Ca2 Cr1 Bi1' _cell_volume 116.12300586 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.59359787 1 Ca Ca1 1 1.84627550 2.18777320 5.40777193 1 Ca Ca2 1 1.84627550 2.18777320 1.77942382 1 Cr Cr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiCa2Cr
Pmmm
47
orthorhombic
mmm
4,878.136554
false
[CIF] data_KGeB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62437735 _cell_length_b 3.62437735 _cell_length_c 5.36097007 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KGeB _chemical_formula_sum 'K1 Ge1 B1' _cell_volume 60.98749994 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 0.00000000 2.09253524 0.00000000 1 K K2 1 1.81218868 1.04626762 2.68048504 1 [/CIF]
BGeK
P-6m2
187
hexagonal
-6m2
3,336.714904
false
[CIF] data_KRuW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43795754 _cell_length_b 4.43795754 _cell_length_c 4.43795754 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KRuW _chemical_formula_sum 'K1 Ru1 W1' _cell_volume 61.80653974 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ru Ru1 1 4.70716480 4.70716480 4.70716480 1 W W2 1 1.56905493 1.56905493 1.56905494 1 [/CIF]
KRuW
F-43m
216
cubic
-43m
8,705.040637
false
[CIF] data_NbTc2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.09560815 _cell_length_b 3.09560815 _cell_length_c 6.08672284 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbTc2P _chemical_formula_sum 'Nb1 Tc2 P1' _cell_volume 58.32778566 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 3.04336142 1 P P1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 1.54780408 1.54780408 1.40781675 1 Tc Tc3 1 1.54780408 1.54780408 4.67890609 1 [/CIF]
NbPTc2
P4/mmm
123
tetragonal
4/mmm
9,158.294411
false
[CIF] data_Ti2CdTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.83598004 _cell_length_b 2.83598004 _cell_length_c 9.20281088 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 112.30036553 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2CdTc _chemical_formula_sum 'Ti2 Cd1 Tc1' _cell_volume 68.48033684 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.57969172 0.00000000 4.52005784 1 Tc Tc1 1 0.00000000 0.00000000 2.07463549 1 Ti Ti2 1 1.57969172 0.00000000 0.16616559 1 Ti Ti3 1 0.00000000 0.00000000 7.04335741 1 [/CIF]
CdTcTi2
Cmm2
35
orthorhombic
mm2
7,445.502411
false
[CIF] data_Nb2CrHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.60776569 _cell_length_b 4.30135618 _cell_length_c 4.34866524 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2CrHg _chemical_formula_sum 'Nb2 Cr1 Hg1' _cell_volume 67.48382764 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 1.80388284 2.15067809 0.00000000 1 Nb Nb2 1 1.80388284 0.00000000 2.17433262 1 Nb Nb3 1 0.00000000 2.15067809 2.17433262 1 [/CIF]
CrHgNb2
Pmmm
47
orthorhombic
mmm
10,787.450257
false
[CIF] data_La2ZrRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.08330526 _cell_length_b 6.08330526 _cell_length_c 6.08330526 _cell_angle_alpha 144.05171376 _cell_angle_beta 128.20110284 _cell_angle_gamma 64.66115512 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2ZrRu _chemical_formula_sum 'La2 Zr1 Ru1' _cell_volume 102.55999048 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.87723356 0.00000000 3.05230814 1 La La1 1 0.00000000 2.65714595 2.08794209 1 Ru Ru2 1 0.00000000 -0.00000000 5.14025023 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
La2RuZr
Immm
71
orthorhombic
mmm
7,611.424441
false
[CIF] data_CaTiCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.37599745 _cell_length_b 6.37599745 _cell_length_c 6.37599745 _cell_angle_alpha 150.39695325 _cell_angle_beta 150.39695325 _cell_angle_gamma 42.35902952 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTiCu _chemical_formula_sum 'Ca1 Ti1 Cu1' _cell_volume 63.09808139 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 11.72658492 1 Cu Cu1 1 -0.00000000 0.00000000 3.64368586 1 Ti Ti2 1 0.00000000 -0.00000000 8.41100190 1 [/CIF]
CaCuTi
I4mm
107
tetragonal
4mm
3,986.757096
false
[CIF] data_GaBi2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.41237774 _cell_length_b 3.41237774 _cell_length_c 8.31461467 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaBi2W _chemical_formula_sum 'Ga1 Bi2 W1' _cell_volume 96.81804920 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.70618887 1.70618887 5.89982732 1 Bi Bi1 1 1.70618887 1.70618887 2.41478735 1 Ga Ga2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 0.00000000 0.00000000 4.15730733 1 [/CIF]
Bi2GaW
P4/mmm
123
tetragonal
4/mmm
11,517.392814
false
[CIF] data_LaSi2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08173200 _cell_length_b 3.69006832 _cell_length_c 6.71853632 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaSi2Pd _chemical_formula_sum 'La1 Si2 Pd1' _cell_volume 76.40186223 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.35926816 1 Pd Pd1 1 0.00000000 0.00000000 0.00000000 1 Si Si2 1 1.54086600 1.84503416 1.21796925 1 Si Si3 1 1.54086600 1.84503416 5.50056707 1 [/CIF]
LaPdSi2
Pmmm
47
orthorhombic
mmm
6,552.807121
false
[CIF] data_V2AgHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15875276 _cell_length_b 3.15875276 _cell_length_c 6.70386536 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2AgHg _chemical_formula_sum 'V2 Ag1 Hg1' _cell_volume 66.88928477 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 3.20050858 1 Hg Hg1 1 1.57937638 1.57937638 5.14385055 1 V V2 1 0.00000000 0.00000000 0.31281060 1 V V3 1 1.57937638 1.57937638 1.39862830 1 [/CIF]
AgHgV2
P4mm
99
tetragonal
4mm
10,186.800582
false
[CIF] data_Sm2PuU _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.52798560 _cell_length_b 5.52798560 _cell_length_c 5.52798560 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm2PuU _chemical_formula_sum 'Sm2 Pu1 U1' _cell_volume 119.44987841 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pu Pu0 1 3.90887611 3.90887611 3.90887611 1 Sm Sm1 1 1.95443805 1.95443805 1.95443805 1 Sm Sm2 1 5.86331416 5.86331416 5.86331416 1 U U3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PuSm2U
Fm-3m
225
cubic
m-3m
10,881.427103
false