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_Y2CoHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.45930635 _cell_length_b 3.45930635 _cell_length_c 7.46610141 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2CoHg _chemical_formula_sum 'Y2 Co1 Hg1' _cell_volume 89.34534551 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 0.00000000 0.00000000 3.73305071 1 Y Y2 1 1.72965317 1.72965317 5.84232298 1 Y Y3 1 1.72965317 1.72965317 1.62377843 1 [/CIF]
CoHgY2
P4/mmm
123
tetragonal
4/mmm
8,128.142257
false
[CIF] data_Bi2PtSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22451080 _cell_length_b 5.22451080 _cell_length_c 3.45403650 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.80310617 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi2PtSe _chemical_formula_sum 'Bi2 Pt1 Se1' _cell_volume 94.23301647 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.81785111 1.87597858 1.72701825 1 Bi Bi1 1 1.81785111 -1.87597857 1.72701825 1 Pt Pt2 1 3.63570222 -0.00000000 0.00000000 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Bi2PtSe
Cmmm
65
orthorhombic
mmm
12,194.250463
false
[CIF] data_LiMgPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99147632 _cell_length_b 4.99147632 _cell_length_c 4.99147632 _cell_angle_alpha 134.70366719 _cell_angle_beta 134.70366719 _cell_angle_gamma 65.99098407 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMgPd2 _chemical_formula_sum 'Li1 Mg1 Pd2' _cell_volume 61.86470096 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mg Mg1 1 1.92207425 -0.00000000 2.09320908 1 Pd Pd2 1 0.00000000 0.00000000 4.18641816 1 Pd Pd3 1 0.00000000 1.92207425 2.09320908 1 [/CIF]
LiMgPd2
I-4m2
119
tetragonal
-42m
6,551.625278
false
[CIF] data_KAgI3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.47868805 _cell_length_b 6.47868805 _cell_length_c 6.47868805 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KAgI3 _chemical_formula_sum 'K1 Ag1 I3' _cell_volume 271.93255754 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy I I0 1 0.00000000 3.23934402 0.00000000 1 I I1 1 0.00000000 0.00000000 3.23934402 1 I I2 1 3.23934402 0.00000000 0.00000000 1 K K3 1 0.00000000 0.00000000 0.00000000 1 Ag Ag4 1 3.23934402 3.23934402 3.23934402 1 [/CIF]
AgI3K
Pm-3m
221
cubic
m-3m
3,222.244196
false
[CIF] data_NaBe2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77735172 _cell_length_b 4.77735172 _cell_length_c 4.77735172 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaBe2Bi _chemical_formula_sum 'Na1 Be2 Bi1' _cell_volume 77.09862840 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.06714670 5.06714670 5.06714670 1 Be Be1 1 1.68904890 1.68904890 1.68904890 1 Bi Bi2 1 3.37809780 3.37809780 3.37809780 1 Na Na3 1 0.00000000 -0.00000000 0.00000000 1 [/CIF]
Be2BiNa
Fm-3m
225
cubic
m-3m
5,384.345967
false
[CIF] data_AsPb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.92018500 _cell_length_b 3.92018500 _cell_length_c 7.46379068 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AsPb3 _chemical_formula_sum 'As1 Pb3' _cell_volume 114.70241884 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 1.96009250 1.96009250 1.62064347 1 Pb Pb2 1 0.00000000 0.00000000 3.73189534 1 Pb Pb3 1 1.96009250 1.96009250 5.84314721 1 [/CIF]
AsPb3
P4/mmm
123
tetragonal
4/mmm
10,083.495529
false
[CIF] data_K2AsP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.10275798 _cell_length_b 5.10108194 _cell_length_c 6.19825133 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2AsP _chemical_formula_sum 'K2 As1 P1' _cell_volume 98.10234359 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.09912566 1 K K1 1 1.55137899 2.55054097 4.67590650 1 K K2 1 1.55137899 2.55054097 1.52234482 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsK2P
Pmmm
47
orthorhombic
mmm
3,116.091009
false
[CIF] data_CaY2Ti _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.46565696 _cell_length_b 5.46565696 _cell_length_c 5.46565696 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaY2Ti _chemical_formula_sum 'Ca1 Y2 Ti1' _cell_volume 115.45483213 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ti Ti1 1 3.86480310 3.86480310 3.86480310 1 Y Y2 1 5.79720465 5.79720465 5.79720465 1 Y Y3 1 1.93240155 1.93240155 1.93240155 1 [/CIF]
CaTiY2
Fm-3m
225
cubic
m-3m
3,822.268626
false
[CIF] data_LaZnCr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74161200 _cell_length_b 4.74161200 _cell_length_c 4.74161200 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaZnCr2 _chemical_formula_sum 'La1 Zn1 Cr2' _cell_volume 75.38119928 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.02923900 5.02923900 5.02923900 1 Cr Cr1 1 1.67641300 1.67641300 1.67641300 1 La La2 1 3.35282600 3.35282600 3.35282600 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cr2LaZn
Fm-3m
225
cubic
m-3m
6,790.912314
false
[CIF] data_AgGe2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.56329630 _cell_length_b 3.56329630 _cell_length_c 7.04886718 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgGe2Pb _chemical_formula_sum 'Ag1 Ge2 Pb1' _cell_volume 89.50003417 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 1.78164815 1.78164815 1.39793775 1 Ge Ge2 1 1.78164815 1.78164815 5.65092943 1 Pb Pb3 1 0.00000000 0.00000000 3.52443359 1 [/CIF]
AgGe2Pb
P4/mmm
123
tetragonal
4/mmm
8,541.071268
false
[CIF] data_ReSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80047899 _cell_length_b 4.80047899 _cell_length_c 4.80047899 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReSi _chemical_formula_sum 'Re4 Si4' _cell_volume 110.62511109 _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 Re Re0 1 1.75557184 4.15581134 3.04490715 1 Re Re1 1 4.15581134 3.04490715 1.75557184 1 Re Re2 1 3.04490715 1.75557184 4.15581134 1 Re Re3 1 0.64466765 0.64466765 0.64466765 1 Si Si4 1 3.14517533 0.74493583 1.65530366 1 Si Si5 1 0.74493583 1.65530366 3.14517533 1 Si Si6 1 1.65530366 3.14517533 0.74493583 1 Si Si7 1 4.05554316 4.05554316 4.05554316 1 [/CIF]
Re4Si4
P2_13
198
cubic
23
12,866.556767
false
[CIF] data_KMgCrBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.39663801 _cell_length_b 5.39663801 _cell_length_c 5.39663801 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KMgCrBi _chemical_formula_sum 'K1 Mg1 Cr1 Bi1' _cell_volume 111.13602645 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.72399899 5.72399899 5.72399899 1 Cr Cr1 1 3.81599933 3.81599933 3.81599933 1 K K2 1 1.90799966 1.90799966 1.90799966 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiCrKMg
F-43m
216
cubic
-43m
4,846.721153
false
[CIF] data_TlIrPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.16267700 _cell_length_b 9.16267700 _cell_length_c 9.16267700 _cell_angle_alpha 18.67937935 _cell_angle_beta 18.67937935 _cell_angle_gamma 18.67937935 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlIrPt2 _chemical_formula_sum 'Tl1 Ir1 Pt2' _cell_volume 68.93897356 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 20.14255246 1 Pt Pt1 1 -0.00000000 -0.00000000 0.03577211 1 Pt Pt2 1 -0.00000000 -0.00000000 6.83756703 1 Tl Tl3 1 0.00000000 -0.00000000 13.48572742 1 [/CIF]
IrPt2Tl
R3m
160
trigonal
3m
18,950.956628
false
[CIF] data_TiVBi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37014016 _cell_length_b 5.37014016 _cell_length_c 5.37014016 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiVBi3 _chemical_formula_sum 'Ti1 V1 Bi3' _cell_volume 154.86627866 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ti Ti0 1 0.00000000 0.00000000 0.00000000 1 Bi Bi1 1 0.00000000 2.68507008 0.00000000 1 Bi Bi2 1 0.00000000 0.00000000 2.68507008 1 Bi Bi3 1 2.68507008 0.00000000 0.00000000 1 V V4 1 2.68507008 2.68507008 2.68507008 1 [/CIF]
Bi3TiV
Pm-3m
221
cubic
m-3m
7,781.782709
false
[CIF] data_ZnHgW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.75470591 _cell_length_b 2.75470591 _cell_length_c 8.83819407 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnHgW2 _chemical_formula_sum 'Zn1 Hg1 W2' _cell_volume 67.06779298 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 0.00000000 0.00000000 4.41909704 1 W W1 1 1.37735296 1.37735296 6.76718937 1 W W2 1 1.37735296 1.37735296 2.07100470 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgW2Zn
P4/mmm
123
tetragonal
4/mmm
15,688.611966
false
[CIF] data_CrMo2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.10866219 _cell_length_b 4.38783349 _cell_length_c 4.39361765 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrMo2W _chemical_formula_sum 'Cr1 Mo2 W1' _cell_volume 59.93022797 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 0.00000000 2.19391675 2.19680883 1 Mo Mo2 1 1.55433109 0.00000000 2.19680883 1 W W3 1 1.55433109 2.19391675 0.00000000 1 [/CIF]
CrMo2W
Pmmm
47
orthorhombic
mmm
11,852.21113
false
[CIF] data_ScCoSnPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84506820 _cell_length_b 4.84506820 _cell_length_c 4.84506820 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCoSnPb _chemical_formula_sum 'Sc1 Co1 Sn1 Pb1' _cell_volume 80.42381791 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.42598058 3.42598058 3.42598058 1 Pb Pb1 1 5.13897087 5.13897087 5.13897087 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 1.71299029 1.71299029 1.71299029 1 [/CIF]
CoPbScSn
F-43m
216
cubic
-43m
8,874.214462
false
[CIF] data_CaYNiPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03778741 _cell_length_b 5.03778741 _cell_length_c 5.03778741 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaYNiPb _chemical_formula_sum 'Ca1 Y1 Ni1 Pb1' _cell_volume 90.40751090 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 3.56225364 3.56225364 3.56225364 1 Pb Pb2 1 1.78112682 1.78112682 1.78112682 1 Y Y3 1 5.34338046 5.34338046 5.34338046 1 [/CIF]
CaNiPbY
F-43m
216
cubic
-43m
7,252.816648
false
[CIF] data_KScGa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.34151757 _cell_length_b 3.34151757 _cell_length_c 9.38996323 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KScGa2 _chemical_formula_sum 'K1 Sc1 Ga2' _cell_volume 104.84588494 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.12271565 1 Ga Ga1 1 1.67075879 1.67075879 1.72451820 1 K K2 1 0.00000000 0.00000000 4.37075726 1 Sc Sc3 1 1.67075879 1.67075879 7.86695364 1 [/CIF]
Ga2KSc
P4mm
99
tetragonal
4mm
3,539.774915
false
[CIF] data_YVCrCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69349845 _cell_length_b 4.69349845 _cell_length_c 4.69349845 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YVCrCd _chemical_formula_sum 'Y1 V1 Cr1 Cd1' _cell_volume 73.10970608 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.31880458 3.31880458 3.31880458 1 Cr Cr1 1 4.97820687 4.97820687 4.97820687 1 V V2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 1.65940229 1.65940229 1.65940229 1 [/CIF]
CdCrVY
F-43m
216
cubic
-43m
6,910.5243
false
[CIF] data_ZrTaRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.52694767 _cell_length_b 8.52694767 _cell_length_c 8.52694767 _cell_angle_alpha 20.98635904 _cell_angle_beta 20.98635904 _cell_angle_gamma 20.98635904 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTaRu2 _chemical_formula_sum 'Zr1 Ta1 Ru2' _cell_volume 69.63983940 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ru Ru0 1 0.00000000 -0.00000000 18.85195820 1 Ru Ru1 1 -0.00000000 -0.00000000 6.15686024 1 Ta Ta2 1 0.00000000 0.00000000 12.50440922 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ru2TaZr
R-3m
166
trigonal
-3m
11,309.810782
false
[CIF] data_CoSiRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85613562 _cell_length_b 5.04762045 _cell_length_c 5.04762045 _cell_angle_alpha 31.70787081 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoSiRh2 _chemical_formula_sum 'Co1 Si1 Rh2' _cell_volume 51.63825482 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.92806781 0.00000000 4.27356892 1 Rh Rh1 1 0.00000000 -0.00000000 0.38381910 1 Rh Rh2 1 1.92806781 0.00000000 6.87236891 1 Si Si3 1 0.00000000 -0.00000000 2.91159849 1 [/CIF]
CoRh2Si
Amm2
38
orthorhombic
mm2
9,416.573116
false
[CIF] data_Tl2GeP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.04999205 _cell_length_b 3.65408702 _cell_length_c 7.46147278 _cell_angle_alpha 90.00000000 _cell_angle_beta 104.54536833 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2GeP _chemical_formula_sum 'Tl2 Ge1 P1' _cell_volume 106.88336693 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.73926461 1.82704351 3.42936038 1 P P1 1 1.93359888 0.00000000 1.88855136 1 Tl Tl2 1 3.90744082 1.82704351 0.39104820 1 Tl Tl3 1 -0.26620868 0.00000000 5.12452862 1 [/CIF]
GePTl2
Pm
6
monoclinic
m
7,960.336884
false
[CIF] data_TaReP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65783864 _cell_length_b 4.65783864 _cell_length_c 4.65783864 _cell_angle_alpha 141.32295882 _cell_angle_beta 131.94894684 _cell_angle_gamma 63.31089911 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaReP _chemical_formula_sum 'Ta1 Re1 P1' _cell_volume 46.39014249 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P P0 1 -0.00000000 -0.00000000 0.00489333 1 Re Re1 1 0.00000000 -0.00000000 5.31205939 1 Ta Ta2 1 -0.00000000 0.00000000 2.61273282 1 [/CIF]
PReTa
Imm2
44
orthorhombic
mm2
14,251.04835
false
[CIF] data_PmUO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42838608 _cell_length_b 4.42838608 _cell_length_c 4.42838608 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PmUO3 _chemical_formula_sum 'Pm1 U1 O3' _cell_volume 86.84332256 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.21419304 1 O O1 1 2.21419304 0.00000000 0.00000000 1 O O2 1 0.00000000 2.21419304 0.00000000 1 Pm Pm3 1 0.00000000 0.00000000 0.00000000 1 U U4 1 2.21419304 2.21419304 2.21419304 1 [/CIF]
O3PmU
Pm-3m
221
cubic
m-3m
8,241.70856
false
[CIF] data_Be5Zn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.68567051 _cell_length_b 6.32940198 _cell_length_c 6.32940198 _cell_angle_alpha 21.83189364 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be5Zn _chemical_formula_sum 'Be5 Zn1' _cell_volume 54.90982765 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.13011071 1 Be Be1 1 0.00000000 -0.00000000 8.29365160 1 Be Be2 1 0.00000000 -0.00000000 4.01163990 1 Be Be3 1 1.84283526 0.00000000 6.97953304 1 Be Be4 1 1.84283526 -0.00000000 2.66828493 1 Zn Zn5 1 1.84283526 -0.00000000 11.06279618 1 [/CIF]
Be5Zn
Amm2
38
orthorhombic
mm2
3,339.865621
false
[CIF] data_NaZrOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58739350 _cell_length_b 4.58739350 _cell_length_c 4.58739350 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaZrOs2 _chemical_formula_sum 'Na1 Zr1 Os2' _cell_volume 68.26262520 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 4.86566557 4.86566557 4.86566557 1 Os Os2 1 1.62188852 1.62188852 1.62188852 1 Zr Zr3 1 3.24377705 3.24377705 3.24377705 1 [/CIF]
NaOs2Zr
Fm-3m
225
cubic
m-3m
12,033.306904
false
[CIF] data_AgHg2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.91144798 _cell_length_b 2.91144798 _cell_length_c 10.43294660 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 118.97779212 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgHg2Os _chemical_formula_sum 'Ag1 Hg2 Os1' _cell_volume 77.36376181 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.77086240 1 Hg Hg1 1 1.47815768 -0.00000000 0.15256692 1 Hg Hg2 1 0.00000000 0.00000000 7.59893608 1 Os Os3 1 1.47815768 -0.00000000 5.12705450 1 [/CIF]
AgHg2Os
Cmm2
35
orthorhombic
mm2
15,009.33696
false
[CIF] data_Ge2AsRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76686442 _cell_length_b 4.76686442 _cell_length_c 3.05109928 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 104.10061971 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ge2AsRh _chemical_formula_sum 'Ge2 As1 Rh1' _cell_volume 67.24115850 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 1.46573766 1.87945796 1.52554964 1 Ge Ge2 1 1.46573766 -1.87945796 1.52554964 1 Rh Rh3 1 2.93147531 -0.00000000 0.00000000 1 [/CIF]
AsGe2Rh
Cmmm
65
orthorhombic
mmm
7,979.219488
false
[CIF] data_TiRe2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39753344 _cell_length_b 4.39753344 _cell_length_c 3.13288102 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiRe2Se _chemical_formula_sum 'Ti1 Re2 Se1' _cell_volume 60.58459414 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Re Re0 1 0.00000000 2.19876672 1.56644051 1 Re Re1 1 2.19876672 0.00000000 1.56644051 1 Se Se2 1 2.19876672 2.19876672 0.00000000 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Re2SeTi
P4/mmm
123
tetragonal
4/mmm
13,683.498187
false
[CIF] data_Li4SiAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93526920 _cell_length_b 4.93526920 _cell_length_c 4.93526920 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li4SiAu _chemical_formula_sum 'Li4 Si1 Au1' _cell_volume 84.99972939 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 1.74488116 1.74488116 1.74488116 1 Li Li1 1 2.61473576 2.61473576 4.36478888 1 Li Li2 1 2.61473576 4.36478888 2.61473576 1 Li Li3 1 4.36478888 2.61473576 2.61473576 1 Li Li4 1 4.36478888 4.36478888 4.36478888 1 Si Si5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuLi4Si
F-43m
216
cubic
-43m
4,938.968186
false
[CIF] data_TaSiPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88089941 _cell_length_b 4.88089941 _cell_length_c 2.86926238 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 112.32463122 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaSiPt2 _chemical_formula_sum 'Ta1 Si1 Pt2' _cell_volume 63.23150895 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.35894501 -2.02708244 1.43463119 1 Pt Pt1 1 1.35894501 2.02708244 1.43463119 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 2.71789002 0.00000000 0.00000000 1 [/CIF]
Pt2SiTa
Cmmm
65
orthorhombic
mmm
15,735.782946
false
[CIF] data_ScRe2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32456350 _cell_length_b 4.32456350 _cell_length_c 3.33461140 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScRe2As _chemical_formula_sum 'Sc1 Re2 As1' _cell_volume 62.36340043 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.16228175 2.16228175 0.00000000 1 Re Re1 1 2.16228175 0.00000000 1.66730570 1 Re Re2 1 0.00000000 2.16228175 1.66730570 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsRe2Sc
P4/mmm
123
tetragonal
4/mmm
13,108.157705
false
[CIF] data_Ti2BeIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.67971323 _cell_length_b 6.67971323 _cell_length_c 6.67971323 _cell_angle_alpha 147.04111902 _cell_angle_beta 147.04111902 _cell_angle_gamma 47.30290265 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2BeIr2 _chemical_formula_sum 'Ti2 Be1 Ir2' _cell_volume 87.87411872 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Ir Ir1 1 0.00000000 1.89484275 3.05931818 1 Ir Ir2 1 1.89484275 0.00000000 3.05931818 1 Ti Ti3 1 -0.00000000 -0.00000000 7.50481354 1 Ti Ti4 1 0.00000000 0.00000000 4.73245916 1 [/CIF]
BeIr2Ti2
I4/mmm
139
tetragonal
4/mmm
9,243.936834
false
[CIF] data_AlZnOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26212622 _cell_length_b 4.26212622 _cell_length_c 3.04526596 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlZnOs2 _chemical_formula_sum 'Al1 Zn1 Os2' _cell_volume 55.31944854 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 0.00000000 2.13106311 1.52263298 1 Os Os2 1 2.13106311 0.00000000 1.52263298 1 Zn Zn3 1 2.13106311 2.13106311 0.00000000 1 [/CIF]
AlOs2Zn
P4/mmm
123
tetragonal
4/mmm
14,192.969533
false
[CIF] data_AlCdB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.12162967 _cell_length_b 3.12162967 _cell_length_c 5.44888965 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCdB2 _chemical_formula_sum 'Al1 Cd1 B2' _cell_volume 53.09709641 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 B B1 1 1.56081483 1.56081483 0.80585711 1 B B2 1 1.56081483 1.56081483 4.64303254 1 Cd Cd3 1 0.00000000 0.00000000 2.72444482 1 [/CIF]
AlB2Cd
P4/mmm
123
tetragonal
4/mmm
5,035.509467
false
[CIF] data_Na4CdP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.06934690 _cell_length_b 10.38808075 _cell_length_c 5.21056110 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na4CdP2 _chemical_formula_sum 'Na8 Cd2 P4' _cell_volume 328.51996700 _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 Cd Cd0 1 0.00000000 0.00000000 0.00000000 1 Cd Cd1 1 3.03467345 5.19404038 0.00000000 1 Na Na2 1 0.93691664 7.44061326 0.00000000 1 Na Na3 1 5.13243026 2.94746749 0.00000000 1 Na Na4 1 2.09775681 2.24657288 0.00000000 1 Na Na5 1 3.97159009 8.14150787 0.00000000 1 Na Na6 1 1.57936078 10.33013510 2.60528055 1 Na Na7 1 4.48998612 0.05794565 2.60528055 1 Na Na8 1 1.45531267 5.13609473 2.60528055 1 Na Na9 1 4.61403423 5.25198602 2.60528055 1 P P10 1 2.72415553 7.74596258 2.60528055 1 P P11 1 3.34519137 2.64211817 2.60528055 1 P P12 1 0.31051792 2.55192220 2.60528055 1 P P13 1 5.75882898 7.83615855 2.60528055 1 [/CIF]
Cd2Na8P4
Pbam
55
orthorhombic
mmm
2,692.261203
false
[CIF] data_NpU2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06117194 _cell_length_b 5.06117194 _cell_length_c 5.06117194 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NpU2Pb _chemical_formula_sum 'Np1 U2 Pb1' _cell_volume 91.67233153 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Np Np0 1 3.57878900 3.57878900 3.57878900 1 Pb Pb1 1 0.00000000 0.00000000 0.00000000 1 U U2 1 1.78939450 1.78939450 1.78939450 1 U U3 1 5.36818350 5.36818350 5.36818350 1 [/CIF]
NpPbU2
Fm-3m
225
cubic
m-3m
16,669.414161
false
[CIF] data_LiHfSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04142549 _cell_length_b 5.04142549 _cell_length_c 5.04142549 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiHfSb2 _chemical_formula_sum 'Li1 Hf1 Sb2' _cell_volume 90.60351790 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 3.56482615 3.56482615 3.56482615 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Sb Sb2 1 1.78241307 1.78241307 1.78241307 1 Sb Sb3 1 5.34723923 5.34723923 5.34723923 1 [/CIF]
HfLiSb2
Fm-3m
225
cubic
m-3m
7,861.614092
false
[CIF] data_LiCu2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.99883543 _cell_length_b 2.99883543 _cell_length_c 5.64480487 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCu2Pt _chemical_formula_sum 'Li1 Cu2 Pt1' _cell_volume 50.76380886 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.08199858 1 Cu Cu1 1 1.49941771 1.49941771 1.41300936 1 Li Li2 1 0.00000000 0.00000000 2.78477851 1 Pt Pt3 1 1.49941771 1.49941771 4.18742085 1 [/CIF]
Cu2LiPt
P4mm
99
tetragonal
4mm
10,765.772865
false
[CIF] data_YRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.75858256 _cell_length_b 4.27547434 _cell_length_c 8.77011695 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YRh2 _chemical_formula_sum 'Y4 Rh8' _cell_volume 215.92617256 _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 Rh Rh0 1 0.54483424 1.06886858 2.22612615 1 Rh Rh1 1 0.80340801 1.06886858 5.02921874 1 Rh Rh2 1 2.07588327 3.20660576 0.64416027 1 Rh Rh3 1 2.33445704 3.20660576 6.61118463 1 Rh Rh4 1 3.42412552 1.06886858 2.15893232 1 Rh Rh5 1 3.68269929 1.06886858 8.12595668 1 Rh Rh6 1 4.95517455 3.20660576 3.74089821 1 Rh Rh7 1 5.21374832 3.20660576 6.54399080 1 Y Y8 1 0.90902779 1.06886858 7.84437401 1 Y Y9 1 1.97026349 3.20660576 3.45931554 1 Y Y10 1 3.78831907 1.06886858 5.31080141 1 Y Y11 1 4.84955477 3.20660576 0.92574294 1 [/CIF]
Rh8Y4
Pnma
62
orthorhombic
mmm
9,065.855004
false
[CIF] data_AlGaPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39439864 _cell_length_b 4.39439864 _cell_length_c 5.08911179 _cell_angle_alpha 101.11751027 _cell_angle_beta 101.11751027 _cell_angle_gamma 39.10536246 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlGaPd2 _chemical_formula_sum 'Al1 Ga1 Pd2' _cell_volume 60.67493278 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.62032110 -0.00000000 2.49071606 1 Pd Pd2 1 5.93331620 0.00000000 1.22859168 1 Pd Pd3 1 1.30732600 0.00000000 3.75284045 1 [/CIF]
AlGaPd2
C2/m
12
monoclinic
2/m
8,471.551194
false
[CIF] data_Sn2BiMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.72048858 _cell_length_b 4.93271075 _cell_length_c 5.25586868 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sn2BiMo _chemical_formula_sum 'Sn2 Bi1 Mo1' _cell_volume 96.45619614 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.86024429 0.00000000 2.62793434 1 Mo Mo1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 0.00000000 2.46635538 2.62793434 1 Sn Sn3 1 1.86024429 2.46635538 0.00000000 1 [/CIF]
BiMoSn2
Pmmm
47
orthorhombic
mmm
9,336.99097
false
[CIF] data_CuOs2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.81751014 _cell_length_b 2.81751014 _cell_length_c 9.48963266 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.16658414 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuOs2Br _chemical_formula_sum 'Cu1 Os2 Br1' _cell_volume 65.12977004 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.40520645 0.00000000 4.59642524 1 Cu Cu1 1 0.00000000 0.00000000 2.23447066 1 Os Os2 1 1.40520645 0.00000000 0.02076673 1 Os Os3 1 0.00000000 0.00000000 7.38278636 1 [/CIF]
BrCuOs2
Cmm2
35
orthorhombic
mm2
13,357.532537
false
[CIF] data_Re2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86583295 _cell_length_b 4.86583295 _cell_length_c 4.86583295 _cell_angle_alpha 147.10952699 _cell_angle_beta 131.17614737 _cell_angle_gamma 60.12652630 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re2Ag _chemical_formula_sum 'Re2 Ag1' _cell_volume 46.66401128 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 -0.00000000 0.00000000 5.68123550 1 Re Re2 1 -0.00000000 0.00000000 2.74125664 1 [/CIF]
AgRe2
Immm
71
orthorhombic
mmm
17,090.844405
false
[CIF] data_LaZrRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86208254 _cell_length_b 4.86208254 _cell_length_c 3.37771218 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaZrRu2 _chemical_formula_sum 'La1 Zr1 Ru2' _cell_volume 79.84859786 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.43104127 2.43104127 0.00000000 1 Ru Ru1 1 2.43104127 0.00000000 1.68885609 1 Ru Ru2 1 0.00000000 2.43104127 1.68885609 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
LaRu2Zr
P4/mmm
123
tetragonal
4/mmm
8,989.589107
false
[CIF] data_LiLaSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.68187791 _cell_length_b 3.68187791 _cell_length_c 7.46931071 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiLaSn2 _chemical_formula_sum 'Li1 La1 Sn2' _cell_volume 101.25565616 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.73465536 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 1.84093896 1.84093896 1.52815397 1 Sn Sn3 1 1.84093896 1.84093896 5.94115674 1 [/CIF]
LaLiSn2
P4/mmm
123
tetragonal
4/mmm
6,285.366867
false
[CIF] data_GeBi2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.44393175 _cell_length_b 3.44393175 _cell_length_c 8.53774122 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 93.42890564 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeBi2Au _chemical_formula_sum 'Ge1 Bi2 Au1' _cell_volume 101.08201285 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.36127929 0.00000000 2.46332882 1 Bi Bi1 1 0.00000000 0.00000000 0.35467143 1 Bi Bi2 1 2.36127929 0.00000000 6.12885297 1 Ge Ge3 1 0.00000000 0.00000000 3.85975861 1 [/CIF]
AuBi2Ge
Cmm2
35
orthorhombic
mm2
11,295.110228
false
[CIF] data_BaFeReAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75292168 _cell_length_b 4.75292168 _cell_length_c 4.75292168 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaFeReAu _chemical_formula_sum 'Ba1 Fe1 Re1 Au1' _cell_volume 75.92188387 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.04123473 5.04123473 5.04123473 1 Ba Ba1 1 1.68041158 1.68041158 1.68041158 1 Fe Fe2 1 -0.00000000 -0.00000000 -0.00000000 1 Re Re3 1 3.36082315 3.36082315 3.36082315 1 [/CIF]
AuBaFeRe
F-43m
216
cubic
-43m
12,605.64523
false
[CIF] data_PuPaO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.84073400 _cell_length_b 3.84073400 _cell_length_c 5.48404300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PuPaO4 _chemical_formula_sum 'Pu1 Pa1 O4' _cell_volume 80.89642162 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.92036700 1.92036700 2.74202150 1 Pa Pa1 1 0.00000000 0.00000000 0.00000000 1 O O2 1 0.00000000 1.92036700 1.30628807 1 O O3 1 1.92036700 0.00000000 4.17775493 1 O O4 1 0.00000000 1.92036700 4.17775493 1 O O5 1 1.92036700 0.00000000 1.30628807 1 [/CIF]
O4PaPu
P4/mmm
123
tetragonal
4/mmm
11,064.595118
false
[CIF] data_ZnRe2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.65983595 _cell_length_b 3.65983595 _cell_length_c 4.10052178 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnRe2Ni _chemical_formula_sum 'Zn1 Re2 Ni1' _cell_volume 54.92402557 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 0.00000000 1.82991798 2.05026089 1 Re Re2 1 1.82991798 0.00000000 2.05026089 1 Zn Zn3 1 1.82991798 1.82991798 0.00000000 1 [/CIF]
NiRe2Zn
P4/mmm
123
tetragonal
4/mmm
15,010.493408
false
[CIF] data_K2SiAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.63639528 _cell_length_b 3.63639528 _cell_length_c 10.01953807 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.85200913 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2SiAu _chemical_formula_sum 'K2 Si1 Au1' _cell_volume 132.47741658 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.55213063 0.00000000 3.43178477 1 K K1 1 0.00000000 0.00000000 0.81700927 1 K K2 1 2.55213063 0.00000000 6.66795830 1 Si Si3 1 0.00000000 0.00000000 4.11255477 1 [/CIF]
AuK2Si
Cmm2
35
orthorhombic
mm2
3,801.072475
false
[CIF] data_PPtBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89097610 _cell_length_b 4.89097610 _cell_length_c 3.28916801 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PPtBr2 _chemical_formula_sum 'P1 Pt1 Br2' _cell_volume 78.68231675 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 2.44548805 0.00000000 1.64458401 1 Br Br1 1 0.00000000 2.44548805 1.64458401 1 P P2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 2.44548805 2.44548805 0.00000000 1 [/CIF]
Br2PPt
P4/mmm
123
tetragonal
4/mmm
8,143.445678
false
[CIF] data_SrBeTcPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74111813 _cell_length_b 4.74111813 _cell_length_c 4.74111813 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrBeTcPd _chemical_formula_sum 'Sr1 Be1 Tc1 Pd1' _cell_volume 75.35764731 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 3.35247678 3.35247678 3.35247678 1 Sr Sr2 1 1.67623839 1.67623839 1.67623839 1 Tc Tc3 1 5.02871517 5.02871517 5.02871517 1 [/CIF]
BePdSrTc
F-43m
216
cubic
-43m
6,653.786413
false
[CIF] data_Y2HfRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02954724 _cell_length_b 5.02954724 _cell_length_c 5.02954724 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2HfRe _chemical_formula_sum 'Y2 Hf1 Re1' _cell_volume 89.96460493 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 3.55642696 3.55642696 3.55642696 1 Re Re1 1 1.77821348 1.77821348 1.77821348 1 Y Y2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 5.33464044 5.33464044 5.33464044 1 [/CIF]
HfReY2
F-43m
216
cubic
-43m
10,013.459083
false
[CIF] data_Ba2BeGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.70157233 _cell_length_b 5.70157233 _cell_length_c 4.01259657 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2BeGe _chemical_formula_sum 'Ba2 Be1 Ge1' _cell_volume 130.44119652 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.85078617 0.00000000 2.00629829 1 Ba Ba1 1 0.00000000 2.85078617 2.00629829 1 Be Be2 1 0.00000000 0.00000000 0.00000000 1 Ge Ge3 1 2.85078617 2.85078617 0.00000000 1 [/CIF]
Ba2BeGe
P4/mmm
123
tetragonal
4/mmm
4,535.839525
false
[CIF] data_CoNiAgRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25681971 _cell_length_b 4.25681971 _cell_length_c 4.25681971 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoNiAgRu _chemical_formula_sum 'Co1 Ni1 Ag1 Ru1' _cell_volume 54.54321974 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.50501304 1.50501304 1.50501304 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 Ni Ni2 1 3.01002608 3.01002608 3.01002608 1 Ru Ru3 1 4.51503912 4.51503912 4.51503912 1 [/CIF]
AgCoNiRu
F-43m
216
cubic
-43m
9,942.090007
false
[CIF] data_NaFe2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36341013 _cell_length_b 4.36341013 _cell_length_c 6.03144661 _cell_angle_alpha 92.18083759 _cell_angle_beta 92.18083759 _cell_angle_gamma 34.24491778 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaFe2Mo _chemical_formula_sum 'Na1 Fe2 Mo1' _cell_volume 64.56992826 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.21257398 0.00000000 1.98640056 1 Fe Fe1 1 1.88729051 0.00000000 4.04026269 1 Mo Mo2 1 4.04993224 -0.00000000 3.01333163 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Fe2MoNa
C2/m
12
monoclinic
2/m
5,931.342306
false
[CIF] data_AlAgOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.47944703 _cell_length_b 5.47944703 _cell_length_c 5.47944703 _cell_angle_alpha 147.91798935 _cell_angle_beta 147.91798935 _cell_angle_gamma 46.00644507 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlAgOs _chemical_formula_sum 'Al1 Ag1 Os1' _cell_volume 46.25162675 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.03299298 1 Al Al1 1 -0.00000000 0.00000000 3.21608322 1 Os Os2 1 0.00000000 -0.00000000 6.92587234 1 [/CIF]
AgAlOs
I4mm
107
tetragonal
4mm
11,671.105291
false
[CIF] data_Mn6Nb7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.21900074 _cell_length_b 9.21900074 _cell_length_c 9.21900074 _cell_angle_alpha 32.89348016 _cell_angle_beta 32.89348016 _cell_angle_gamma 32.89348016 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn6Nb7 _chemical_formula_sum 'Mn6 Nb7' _cell_volume 205.61298599 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 14.04656442 1 Mn Mn1 1 -0.00000000 0.00000000 12.09070910 1 Mn Mn2 1 0.00000000 0.00000000 16.94967085 1 Mn Mn3 1 0.00000000 0.00000000 9.18760266 1 Mn Mn4 1 0.00000000 0.00000000 21.70787707 1 Mn Mn5 1 0.00000000 0.00000000 4.42939644 1 Nb Nb6 1 -1.28652341 0.74277464 6.57624901 1 Nb Nb7 1 0.00000000 -1.48554928 6.57624901 1 Nb Nb8 1 1.28652341 0.74277464 6.57624901 1 Nb Nb9 1 1.28652341 -0.74277464 19.56102450 1 Nb Nb10 1 -1.28652341 -0.74277464 19.56102450 1 Nb Nb11 1 -0.00000000 1.48554928 19.56102450 1 Nb Nb12 1 -0.00000000 -0.00000000 0.00000000 1 [/CIF]
Mn6Nb7
R-3m
166
trigonal
-3m
7,914.30233
false
[CIF] data_TiS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.97497744 _cell_length_b 5.97497744 _cell_length_c 3.30752012 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiS _chemical_formula_sum 'Ti3 S3' _cell_volume 102.25997132 _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 S S0 1 0.00000000 0.00000000 0.00000000 1 S S1 1 2.98748872 1.72482742 1.65376006 1 S S2 1 0.00000000 3.44965484 1.65376006 1 Ti Ti3 1 -1.15254185 1.99626105 0.00000000 1 Ti Ti4 1 1.83494687 3.17822120 0.00000000 1 Ti Ti5 1 2.30508371 0.00000000 0.00000000 1 [/CIF]
S3Ti3
P-62m
189
hexagonal
-6m2
3,893.854177
false
[CIF] data_GaRe2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.10194670 _cell_length_b 3.10194670 _cell_length_c 5.92155768 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaRe2P _chemical_formula_sum 'Ga1 Re2 P1' _cell_volume 56.97766222 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.55097335 1.55097335 2.95573243 1 P P1 1 0.00000000 0.00000000 4.55978322 1 Re Re2 1 1.55097335 1.55097335 5.69961071 1 Re Re3 1 0.00000000 0.00000000 1.58876784 1 [/CIF]
GaPRe2
P4mm
99
tetragonal
4mm
13,788.191244
false
[CIF] data_GePPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.02867948 _cell_length_b 3.02867948 _cell_length_c 7.64804449 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.56776121 _symmetry_Int_Tables_number 1 _chemical_formula_structural GePPt2 _chemical_formula_sum 'Ge1 P1 Pt2' _cell_volume 70.12848137 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.11210042 0.00000000 4.20286821 1 P P1 1 0.00000000 0.00000000 1.37037806 1 Pt Pt2 1 2.11210042 0.00000000 0.16629503 1 Pt Pt3 1 0.00000000 0.00000000 5.73252544 1 [/CIF]
GePPt2
Cmm2
35
orthorhombic
mm2
11,692.02427
false
[CIF] data_Ba2ScPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.08968169 _cell_length_b 7.15143665 _cell_length_c 7.15143665 _cell_angle_alpha 45.64269082 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2ScPd _chemical_formula_sum 'Ba2 Sc1 Pd1' _cell_volume 149.54723010 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.04484084 -0.00000000 1.14195444 1 Ba Ba1 1 0.00000000 -0.00000000 5.06430894 1 Pd Pd2 1 2.04484084 -0.00000000 10.88991148 1 Sc Sc3 1 0.00000000 0.00000000 9.24292083 1 [/CIF]
Ba2PdSc
Amm2
38
orthorhombic
mm2
4,730.541288
false
[CIF] data_Mg4NbAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.60632464 _cell_length_b 5.60632464 _cell_length_c 5.60632464 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg4NbAg _chemical_formula_sum 'Mg4 Nb1 Ag1' _cell_volume 124.60048399 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.98213509 1.98213509 1.98213508 1 Mg Mg1 1 2.97102577 2.97102577 4.95751457 1 Mg Mg2 1 2.97102577 4.95751457 2.97102577 1 Mg Mg3 1 4.95751457 2.97102577 2.97102577 1 Mg Mg4 1 4.95751457 4.95751457 4.95751457 1 Nb Nb5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgMg4Nb
F-43m
216
cubic
-43m
3,971.346064
false
[CIF] data_CaCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.05859588 _cell_length_b 7.05859588 _cell_length_c 6.19671594 _cell_angle_alpha 115.59319673 _cell_angle_beta 115.59319673 _cell_angle_gamma 30.51202236 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCo _chemical_formula_sum 'Ca3 Co3' _cell_volume 140.16336832 _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 Ca Ca0 1 -2.21859552 0.00000000 5.12147795 1 Ca Ca1 1 1.44982900 0.00000000 5.51872527 1 Ca Ca2 1 6.69342375 0.00000000 2.72695743 1 Co Co3 1 9.06626622 0.00000000 1.18368743 1 Co Co4 1 11.06392347 0.00000000 2.31786228 1 Co Co5 1 2.82310042 0.00000000 2.52417342 1 [/CIF]
Ca3Co3
Cm
8
monoclinic
m
3,519.006984
false
[CIF] data_NaLiBeCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24725658 _cell_length_b 4.24725658 _cell_length_c 4.24725658 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLiBeCo _chemical_formula_sum 'Na1 Li1 Be1 Co1' _cell_volume 54.17644405 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.00326393 3.00326393 3.00326393 1 Co Co1 1 1.50163196 1.50163196 1.50163196 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Na Na3 1 4.50489589 4.50489590 4.50489590 1 [/CIF]
BeCoLiNa
F-43m
216
cubic
-43m
2,999.959991
false
[CIF] data_GeBAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51342805 _cell_length_b 4.51342805 _cell_length_c 4.51342805 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeBAu2 _chemical_formula_sum 'Ge1 B1 Au2' _cell_volume 65.01365358 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 4.78721337 4.78721337 4.78721337 1 Au Au1 1 1.59573779 1.59573779 1.59573779 1 B B2 1 0.00000000 0.00000000 0.00000000 1 Ge Ge3 1 3.19147558 3.19147558 3.19147558 1 [/CIF]
Au2BGe
Fm-3m
225
cubic
m-3m
12,193.05434
false
[CIF] data_Tl3SiBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36694944 _cell_length_b 5.36694944 _cell_length_c 5.36694944 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl3SiBi _chemical_formula_sum 'Tl3 Si1 Bi1' _cell_volume 154.59039681 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tl Tl0 1 0.00000000 2.68347472 0.00000000 1 Tl Tl1 1 0.00000000 0.00000000 2.68347472 1 Tl Tl2 1 2.68347472 0.00000000 0.00000000 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 Bi Bi4 1 2.68347472 2.68347472 2.68347472 1 [/CIF]
BiSiTl3
Pm-3m
221
cubic
m-3m
9,132.62777
false
[CIF] data_ZrAgBr4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.08004477 _cell_length_b 6.08004477 _cell_length_c 6.08004477 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrAgBr4 _chemical_formula_sum 'Zr1 Ag1 Br4' _cell_volume 158.92979920 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.14962045 2.14962045 2.14962045 1 Br Br1 1 3.22541393 3.22541393 5.37306785 1 Br Br2 1 3.22541393 5.37306785 3.22541393 1 Br Br3 1 5.37306785 3.22541393 3.22541393 1 Br Br4 1 5.37306785 5.37306785 5.37306785 1 Zr Zr5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgBr4Zr
F-43m
216
cubic
-43m
5,419.595536
false
[CIF] data_CaHfB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45305085 _cell_length_b 4.45305085 _cell_length_c 2.92435081 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaHfB2 _chemical_formula_sum 'Ca1 Hf1 B2' _cell_volume 57.98888776 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.22652543 0.00000000 1.46217541 1 B B1 1 0.00000000 2.22652543 1.46217541 1 Ca Ca2 1 0.00000000 0.00000000 0.00000000 1 Hf Hf3 1 2.22652543 2.22652543 0.00000000 1 [/CIF]
B2CaHf
P4/mmm
123
tetragonal
4/mmm
6,877.953584
false
[CIF] data_TiSnOsPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52855806 _cell_length_b 4.52855806 _cell_length_c 4.52855806 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiSnOsPd _chemical_formula_sum 'Ti1 Sn1 Os1 Pd1' _cell_volume 65.66966846 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ti Ti0 1 0.00000000 0.00000000 0.00000000 1 Os Os1 1 3.20217412 3.20217412 3.20217412 1 Pd Pd2 1 1.60108706 1.60108706 1.60108706 1 Sn Sn3 1 4.80326117 4.80326117 4.80326117 1 [/CIF]
OsPdSnTi
F-43m
216
cubic
-43m
11,713.269584
false
[CIF] data_FeHgRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33174149 _cell_length_b 4.33174149 _cell_length_c 4.33174149 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeHgRu _chemical_formula_sum 'Fe1 Hg1 Ru1' _cell_volume 57.47415488 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 3.06300378 3.06300378 3.06300378 1 Ru Ru2 1 4.59450567 4.59450567 4.59450567 1 [/CIF]
FeHgRu
F-43m
216
cubic
-43m
10,329.008235
false
[CIF] data_P2OsRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05096885 _cell_length_b 5.05096885 _cell_length_c 5.05096885 _cell_angle_alpha 139.49587709 _cell_angle_beta 139.49587709 _cell_angle_gamma 58.61954322 _symmetry_Int_Tables_number 1 _chemical_formula_structural P2OsRu _chemical_formula_sum 'P2 Os1 Ru1' _cell_volume 53.85477096 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Os Os0 1 0.00000000 1.74839697 2.20218655 1 P P1 1 0.00000000 0.00000000 0.00000000 1 P P2 1 1.74839697 -0.00000000 2.20218655 1 Ru Ru3 1 -0.00000000 0.00000000 4.40437310 1 [/CIF]
OsP2Ru
I-4m2
119
tetragonal
-42m
10,891.909916
false
[CIF] data_NbSiBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11735613 _cell_length_b 3.11735613 _cell_length_c 10.04044635 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbSiBr2 _chemical_formula_sum 'Nb1 Si1 Br2' _cell_volume 97.57214637 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.55867807 1.55867807 3.36938463 1 Br Br1 1 1.55867807 1.55867807 6.67106172 1 Nb Nb2 1 0.00000000 0.00000000 5.02022317 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Br2NbSi
P4/mmm
123
tetragonal
4/mmm
4,778.814323
false
[CIF] data_NaFeB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98191883 _cell_length_b 3.98191883 _cell_length_c 3.98191883 _cell_angle_alpha 128.54572705 _cell_angle_beta 128.54572705 _cell_angle_gamma 75.74262453 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaFeB2 _chemical_formula_sum 'Na1 Fe1 B2' _cell_volume 37.56477953 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.72849444 -0.00000000 1.57164655 1 B B1 1 -0.00000000 1.72849444 1.57164655 1 Fe Fe2 1 -0.00000000 0.00000000 3.14329310 1 Na Na3 1 -0.00000000 0.00000000 -0.00000000 1 [/CIF]
B2FeNa
I4/mmm
139
tetragonal
4/mmm
4,440.659361
false
[CIF] data_La4Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.05091461 _cell_length_b 10.05091461 _cell_length_c 10.05091461 _cell_angle_alpha 156.11509439 _cell_angle_beta 156.11509439 _cell_angle_gamma 34.03239083 _symmetry_Int_Tables_number 1 _chemical_formula_structural La4Si _chemical_formula_sum 'La4 Si1' _cell_volume 166.29486497 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.07982718 0.00000000 4.80545321 1 La La1 1 -0.00000000 2.07982718 4.80545321 1 La La2 1 0.00000000 0.00000000 11.09193057 1 La La3 1 -0.00000000 0.00000000 8.12988227 1 Si Si4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
La4Si
I4/mmm
139
tetragonal
4/mmm
5,828.615984
false
[CIF] data_Cd2TcMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.75861546 _cell_length_b 4.77193840 _cell_length_c 5.48728239 _cell_angle_alpha 90.00000000 _cell_angle_beta 104.20856935 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2TcMo _chemical_formula_sum 'Cd2 Tc1 Mo1' _cell_volume 70.02452882 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.24135513 2.38596920 3.97521539 1 Cd Cd1 1 1.65310409 2.38596920 1.34420362 1 Mo Mo2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 0.70587448 0.00000000 2.65970951 1 [/CIF]
Cd2MoTc
P2/m
10
monoclinic
2/m
9,952.350464
false
[CIF] data_LaCuRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66427787 _cell_length_b 4.66427787 _cell_length_c 4.66427787 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCuRh _chemical_formula_sum 'La1 Cu1 Rh1' _cell_volume 71.75269991 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 0.00000000 0.00000000 0.00000000 1 La La1 1 1.64907126 1.64907126 1.64907126 1 Rh Rh2 1 3.29814251 3.29814251 3.29814251 1 [/CIF]
CuLaRh
F-43m
216
cubic
-43m
7,066.733079
false
[CIF] data_KSeCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36277755 _cell_length_b 5.36277755 _cell_length_c 5.36277755 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSeCl _chemical_formula_sum 'K1 Se1 Cl1' _cell_volume 109.05720160 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 K K1 1 3.79205637 3.79205637 3.79205637 1 Se Se2 1 5.68808456 5.68808456 5.68808456 1 [/CIF]
ClKSe
F-43m
216
cubic
-43m
2,337.411075
false
[CIF] data_MnFeCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.71828461 _cell_length_b 3.71828461 _cell_length_c 3.71828461 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnFeCo _chemical_formula_sum 'Mn1 Fe1 Co1' _cell_volume 36.35070920 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.31461213 1.31461213 1.31461213 1 Fe Fe1 1 3.94383639 3.94383639 3.94383639 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CoFeMn
F-43m
216
cubic
-43m
7,752.81839
false
[CIF] data_Na2BiRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96157736 _cell_length_b 4.96157736 _cell_length_c 4.96157736 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2BiRu _chemical_formula_sum 'Na2 Bi1 Ru1' _cell_volume 86.36629811 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.50836500 3.50836500 3.50836500 1 Na Na1 1 1.75418250 1.75418250 1.75418250 1 Na Na2 1 5.26254750 5.26254750 5.26254750 1 Ru Ru3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiNa2Ru
Fm-3m
225
cubic
m-3m
6,845.281491
false
[CIF] data_KZn2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.13117257 _cell_length_b 6.13117257 _cell_length_c 6.13117257 _cell_angle_alpha 139.78669044 _cell_angle_beta 125.31005302 _cell_angle_gamma 70.02275702 _symmetry_Int_Tables_number 1 _chemical_formula_structural KZn2Te _chemical_formula_sum 'K1 Zn2 Te1' _cell_volume 119.23450476 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Te Te1 1 0.00000000 0.00000000 5.02166406 1 Zn Zn2 1 2.10770563 0.00000000 2.98151883 1 Zn Zn3 1 0.00000000 2.81633524 2.04014523 1 [/CIF]
KTeZn2
Immm
71
orthorhombic
mmm
4,142.602251
false
[CIF] data_BeOsRhAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33644520 _cell_length_b 4.33644520 _cell_length_c 4.33644520 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeOsRhAu _chemical_formula_sum 'Be1 Os1 Rh1 Au1' _cell_volume 57.66158698 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 4.59949472 4.59949472 4.59949472 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 3.06632981 3.06632981 3.06632981 1 Rh Rh3 1 1.53316491 1.53316491 1.53316491 1 [/CIF]
AuBeOsRh
F-43m
216
cubic
-43m
14,373.498127
false
[CIF] data_CaBeInAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83751306 _cell_length_b 4.83751306 _cell_length_c 4.83751306 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaBeInAu _chemical_formula_sum 'Ca1 Be1 In1 Au1' _cell_volume 80.04817853 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.42063829 3.42063829 3.42063829 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Ca Ca2 1 5.13095744 5.13095744 5.13095744 1 In In3 1 1.71031915 1.71031915 1.71031915 1 [/CIF]
AuBeCaIn
F-43m
216
cubic
-43m
7,486.074426
false
[CIF] data_MgMnRu4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05440384 _cell_length_b 5.05440384 _cell_length_c 5.05440384 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgMnRu4 _chemical_formula_sum 'Mg1 Mn1 Ru4' _cell_volume 91.30505400 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mn Mn1 1 1.78700162 1.78700162 1.78700161 1 Ru Ru2 1 2.68129011 2.68129011 4.46671635 1 Ru Ru3 1 2.68129011 4.46671635 2.68129011 1 Ru Ru4 1 4.46671635 2.68129011 2.68129011 1 Ru Ru5 1 4.46671635 4.46671635 4.46671635 1 [/CIF]
MgMnRu4
F-43m
216
cubic
-43m
8,793.696194
false
[CIF] data_HfNiHgPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57675534 _cell_length_b 4.57675534 _cell_length_c 4.57675534 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfNiHgPt _chemical_formula_sum 'Hf1 Ni1 Hg1 Pt1' _cell_volume 67.78882313 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.85438211 4.85438211 4.85438211 1 Hg Hg1 1 1.61812737 1.61812737 1.61812737 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 3.23625474 3.23625474 3.23625474 1 [/CIF]
HfHgNiPt
F-43m
216
cubic
-43m
15,502.326014
false
[CIF] data_MgOs2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.73473409 _cell_length_b 2.73473409 _cell_length_c 7.99295023 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgOs2Ru _chemical_formula_sum 'Mg1 Os2 Ru1' _cell_volume 59.77744073 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.36736704 1.36736704 2.13037573 1 Os Os2 1 1.36736704 1.36736704 5.86257450 1 Ru Ru3 1 0.00000000 0.00000000 3.99647511 1 [/CIF]
MgOs2Ru
P4/mmm
123
tetragonal
4/mmm
14,051.434261
false
[CIF] data_Ba2TeRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87679573 _cell_length_b 4.90902742 _cell_length_c 6.28055498 _cell_angle_alpha 90.00000000 _cell_angle_beta 112.46134984 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2TeRu _chemical_formula_sum 'Ba2 Te1 Ru1' _cell_volume 138.95194322 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.17656206 0.00000000 5.19171645 1 Ba Ba1 1 2.17804144 2.45451371 1.91542737 1 Ru Ru2 1 -0.33660083 0.00000000 3.17593399 1 Te Te3 1 -0.26328521 2.45451371 4.22716267 1 [/CIF]
Ba2RuTe
Pm
6
monoclinic
m
6,014.951254
false
[CIF] data_MgZrMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66728627 _cell_length_b 4.66728627 _cell_length_c 4.66728627 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgZrMo2 _chemical_formula_sum 'Mg1 Zr1 Mo2' _cell_volume 71.89162821 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 1.65013488 1.65013488 1.65013488 1 Mo Mo2 1 4.95040465 4.95040465 4.95040465 1 Zr Zr3 1 3.30026977 3.30026977 3.30026977 1 [/CIF]
MgMo2Zr
Fm-3m
225
cubic
m-3m
7,101.398149
false
[CIF] data_MgBe2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.10507257 _cell_length_b 4.10507257 _cell_length_c 4.10507257 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgBe2Pd _chemical_formula_sum 'Mg1 Be2 Pd1' _cell_volume 48.91561505 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.45136233 1.45136233 1.45136233 1 Be Be1 1 4.35408698 4.35408698 4.35408698 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 2.90272465 2.90272465 2.90272465 1 [/CIF]
Be2MgPd
Fm-3m
225
cubic
m-3m
5,049.596735
false
[CIF] data_BaTiO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99888600 _cell_length_b 4.10719110 _cell_length_c 4.10719110 _cell_angle_alpha 89.65481098 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTiO3 _chemical_formula_sum 'Ba1 Ti1 O3' _cell_volume 67.45605852 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 -0.00000000 5.72240695 1 Ti Ti1 1 1.99944300 -0.00000000 2.71717809 1 O O2 1 0.00000000 0.00000000 2.94025824 1 O O3 1 1.99944300 -1.40272056 1.50450494 1 O O4 1 1.99944300 1.40272056 1.50450494 1 [/CIF]
BaO3Ti
Amm2
38
orthorhombic
mm2
5,740.399997
false
[CIF] data_NaHfV _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.11392967 _cell_length_b 8.11392967 _cell_length_c 8.11392967 _cell_angle_alpha 159.56035337 _cell_angle_beta 159.56035337 _cell_angle_gamma 29.06358632 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaHfV _chemical_formula_sum 'Na1 Hf1 V1' _cell_volume 65.11240339 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.38642900 1 Na Na1 1 0.00000000 -0.00000000 5.11461289 1 V V2 1 0.00000000 0.00000000 10.20766480 1 [/CIF]
HfNaV
I4mm
107
tetragonal
4mm
6,437.412183
false
[CIF] data_LaSc2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.90147521 _cell_length_b 9.90147521 _cell_length_c 9.90147521 _cell_angle_alpha 20.62912861 _cell_angle_beta 20.62912861 _cell_angle_gamma 20.62912861 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaSc2Au _chemical_formula_sum 'La1 Sc2 Au1' _cell_volume 105.47844264 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 14.53130736 1 La La1 1 0.00000000 0.00000000 -0.00000000 1 Sc Sc2 1 0.00000000 0.00000000 6.78817759 1 Sc Sc3 1 -0.00000000 0.00000000 22.27443714 1 [/CIF]
AuLaSc2
R-3m
166
trigonal
-3m
6,703.082839
false
[CIF] data_BaLaTlIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.16910387 _cell_length_b 6.16910387 _cell_length_c 6.16910387 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLaTlIn _chemical_formula_sum 'Ba1 La1 Tl1 In1' _cell_volume 166.01649850 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.18110759 2.18110759 2.18110759 1 In In1 1 0.00000000 0.00000000 0.00000000 1 La La2 1 4.36221518 4.36221518 4.36221518 1 Tl Tl3 1 6.54332277 6.54332277 6.54332277 1 [/CIF]
BaInLaTl
F-43m
216
cubic
-43m
5,955.679379
false
[CIF] data_Y2ZnPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37855931 _cell_length_b 5.37855931 _cell_length_c 5.37855931 _cell_angle_alpha 123.96401706 _cell_angle_beta 123.96401706 _cell_angle_gamma 83.26114187 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2ZnPb _chemical_formula_sum 'Y2 Zn1 Pb1' _cell_volume 102.65207494 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb Pb0 1 0.00000000 0.00000000 4.02017047 1 Y Y1 1 0.00000000 2.52657175 2.01008524 1 Y Y2 1 2.52657175 0.00000000 2.01008523 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PbY2Zn
I4/mmm
139
tetragonal
4/mmm
7,285.707703
false
[CIF] data_AlNi5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34419164 _cell_length_b 4.34419164 _cell_length_c 4.07465628 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlNi5 _chemical_formula_sum 'Al1 Ni5' _cell_volume 66.59468397 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 2.86358961 0.00000000 2.03732814 1 Ni Ni2 1 0.74030102 1.28223898 2.03732814 1 Ni Ni3 1 -1.43179480 2.47994134 2.03732814 1 Ni Ni4 1 2.17209582 1.25406011 0.00000000 1 Ni Ni5 1 -0.00000000 2.50812021 0.00000000 1 [/CIF]
AlNi5
P-62m
189
hexagonal
-6m2
7,990.387303
false
[CIF] data_Na2HfBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.57477290 _cell_length_b 5.57477290 _cell_length_c 5.57477290 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2HfBr _chemical_formula_sum 'Na2 Hf1 Br1' _cell_volume 122.50859026 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 3.94195972 3.94195972 3.94195972 1 Na Na2 1 5.91293958 5.91293958 5.91293958 1 Na Na3 1 1.97097986 1.97097986 1.97097986 1 [/CIF]
BrHfNa2
Fm-3m
225
cubic
m-3m
4,125.622134
false
[CIF] data_GaSiTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78416529 _cell_length_b 4.78416529 _cell_length_c 4.36052764 _cell_angle_alpha 106.46356706 _cell_angle_beta 106.46356706 _cell_angle_gamma 36.05450384 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaSiTc2 _chemical_formula_sum 'Ga1 Si1 Tc2' _cell_volume 56.07107414 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.86684381 -0.00000000 2.26983566 1 Si Si1 1 6.49440340 -0.00000000 0.83209782 1 Tc Tc2 1 -0.05523903 0.00000000 0.21949459 1 Tc Tc3 1 1.39252170 0.00000000 2.92211398 1 [/CIF]
GaSiTc2
Cm
8
monoclinic
m
8,754.782406
false
[CIF] data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 1.71352893 _cell_length_b 1.71352893 _cell_length_c 6.43706438 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C2 _cell_volume 16.36821682 _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 C C0 1 -0.00000000 0.98930639 1.60926609 1 C C1 1 0.85676447 0.49465320 4.82779829 1 [/CIF]
C2
P6_3/mmc
194
hexagonal
6/mmm
2,436.946777
false