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_TiTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01095186 _cell_length_b 5.01095186 _cell_length_c 7.41792892 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiTe2 _chemical_formula_sum 'Ti2 Te4' _cell_volume 161.30720286 _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 Te Te0 1 0.00000000 2.89307441 7.04071574 1 Te Te1 1 2.50547593 1.44653720 3.33175128 1 Te Te2 1 2.50547593 1.44653720 0.37721318 1 Te Te3 1 0.00000000 2.89307441 4.08617764 1 Ti Ti4 1 0.00000000 0.00000000 5.56344669 1 Ti Ti5 1 0.00000000 0.00000000 1.85448223 1 [/CIF]
Te4Ti2
P6_3/mmc
194
hexagonal
6/mmm
6,239.703923
false
[CIF] data_MnBe2Nb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.51081687 _cell_length_b 3.51477540 _cell_length_c 5.20964884 _cell_angle_alpha 90.00000000 _cell_angle_beta 97.89745090 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnBe2Nb _chemical_formula_sum 'Mn1 Be2 Nb1' _cell_volume 45.53888334 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.74172194 1.75738770 4.11483808 1 Be Be1 1 1.05328669 1.75738770 1.04540025 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Nb Nb3 1 -0.35790412 0.00000000 2.58011916 1 [/CIF]
Be2MnNb
P2/m
10
monoclinic
2/m
6,048.273122
false
[CIF] data_BaScAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.83154142 _cell_length_b 6.81693296 _cell_length_c 3.79683396 _cell_angle_alpha 74.05980543 _cell_angle_beta 73.63631243 _cell_angle_gamma 32.30388213 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaScAs _chemical_formula_sum 'Ba1 Sc1 As1' _cell_volume 90.43610737 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.66613624 2.70326944 0.69025397 1 Ba Ba1 1 2.66613624 2.70326944 4.25425856 1 Sc Sc2 1 2.66613624 2.70326944 7.60336247 1 [/CIF]
AsBaSc
Fmm2
42
orthorhombic
mm2
4,722.650639
false
[CIF] data_ZrGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.87313488 _cell_length_b 3.87313488 _cell_length_c 5.49783929 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrGa _chemical_formula_sum 'Zr2 Ga2' _cell_volume 82.47404271 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 1.93656744 0.00000000 4.47362900 1 Ga Ga1 1 0.00000000 1.93656744 1.02421029 1 Zr Zr2 1 1.93656744 0.00000000 1.74283028 1 Zr Zr3 1 0.00000000 1.93656744 3.75500901 1 [/CIF]
Ga2Zr2
P4/nmm
129
tetragonal
4/mmm
6,481.03991
false
[CIF] data_ZrTi2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04313162 _cell_length_b 5.04313162 _cell_length_c 5.02994504 _cell_angle_alpha 102.34546676 _cell_angle_beta 102.34546676 _cell_angle_gamma 35.03595352 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTi2Ge _chemical_formula_sum 'Zr1 Ti2 Ge1' _cell_volume 71.57227021 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ti Ti1 1 1.64915292 0.00000000 3.80243136 1 Ti Ti2 1 6.84160323 0.00000000 1.09946293 1 Zr Zr3 1 4.24537808 0.00000000 2.45094715 1 [/CIF]
GeTi2Zr
C2/m
12
monoclinic
2/m
6,022.899921
false
[CIF] data_W3Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.35451676 _cell_length_b 5.35451676 _cell_length_c 5.35451676 _cell_angle_alpha 146.07278731 _cell_angle_beta 130.79672828 _cell_angle_gamma 61.11032142 _symmetry_Int_Tables_number 1 _chemical_formula_structural W3Se _chemical_formula_sum 'W3 Se1' _cell_volume 64.23032847 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Se Se0 1 0.00000000 0.00000000 0.00000000 1 W W1 1 -0.00000000 2.22912148 2.35210861 1 W W2 1 0.00000000 0.00000000 4.61098929 1 W W3 1 1.56225636 -0.00000000 2.25888068 1 [/CIF]
SeW3
Immm
71
orthorhombic
mmm
16,299.724689
false
[CIF] data_ZrBMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24880768 _cell_length_b 4.24880768 _cell_length_c 4.24880768 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrBMo _chemical_formula_sum 'Zr1 B1 Mo1' _cell_volume 54.23582133 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 3.00436072 3.00436072 3.00436072 1 Zr Zr2 1 1.50218036 1.50218036 1.50218036 1 [/CIF]
BMoZr
F-43m
216
cubic
-43m
6,062.016291
false
[CIF] data_Ga2MoSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57444894 _cell_length_b 4.57444894 _cell_length_c 3.25024394 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2MoSe _chemical_formula_sum 'Ga2 Mo1 Se1' _cell_volume 68.01324968 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.28722447 1.62512197 1 Ga Ga1 1 2.28722447 0.00000000 1.62512197 1 Mo Mo2 1 2.28722447 2.28722447 0.00000000 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ga2MoSe
P4/mmm
123
tetragonal
4/mmm
7,675.22544
false
[CIF] data_HfTaMn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.09148368 _cell_length_b 3.09148368 _cell_length_c 6.30836008 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTaMn _chemical_formula_sum 'Hf1 Ta1 Mn1' _cell_volume 52.21328556 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000002 1.78486894 0.15816566 1 Mn Mn1 1 0.00000000 0.00000000 2.18037805 1 Ta Ta2 1 1.54574182 0.89243448 3.96981637 1 [/CIF]
HfMnTa
P3m1
156
trigonal
3m
13,178.397109
false
[CIF] data_SrLaYTl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.75114725 _cell_length_b 5.75114725 _cell_length_c 5.75114725 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrLaYTl _chemical_formula_sum 'Sr1 La1 Y1 Tl1' _cell_volume 134.50810798 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.03333761 2.03333761 2.03333761 1 Sr Sr1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 6.10001283 6.10001283 6.10001283 1 Y Y3 1 4.06667522 4.06667522 4.06667522 1 [/CIF]
LaSrTlY
F-43m
216
cubic
-43m
6,417.252438
false
[CIF] data_NaTcGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19155299 _cell_length_b 5.19155299 _cell_length_c 2.81093914 _cell_angle_alpha 101.64930746 _cell_angle_beta 101.64930746 _cell_angle_gamma 108.17496879 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTcGe2 _chemical_formula_sum 'Na1 Tc1 Ge2' _cell_volume 67.58152669 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.03871495 -2.10235452 1.31956339 1 Ge Ge1 1 1.03871495 2.10235452 1.31956339 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 3.04510171 -0.00000000 0.00000000 1 [/CIF]
Ge2NaTc
C2/m
12
monoclinic
2/m
6,564.754547
false
[CIF] data_TaZn2Cd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.85269967 _cell_length_b 2.85269967 _cell_length_c 8.42245119 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.80024012 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaZn2Cd _chemical_formula_sum 'Ta1 Zn2 Cd1' _cell_volume 68.50719680 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ta Ta1 1 0.00000000 0.00000000 4.21122559 1 Zn Zn2 1 1.98522591 0.00000000 6.22002821 1 Zn Zn3 1 1.98522591 0.00000000 2.20242298 1 [/CIF]
CdTaZn2
Cmmm
65
orthorhombic
mmm
10,280.17496
false
[CIF] data_CaIn2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39559245 _cell_length_b 4.39559245 _cell_length_c 4.78415538 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaIn2Pd _chemical_formula_sum 'Ca1 In2 Pd1' _cell_volume 92.43578074 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 0.00000000 2.19779622 2.39207769 1 In In2 1 2.19779622 0.00000000 2.39207769 1 Pd Pd3 1 2.19779622 2.19779622 0.00000000 1 [/CIF]
CaIn2Pd
P4/mmm
123
tetragonal
4/mmm
6,756.963551
false
[CIF] data_KLiP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.19219713 _cell_length_b 6.19219713 _cell_length_c 6.19219713 _cell_angle_alpha 146.48627622 _cell_angle_beta 146.48627622 _cell_angle_gamma 48.12504109 _symmetry_Int_Tables_number 1 _chemical_formula_structural KLiP _chemical_formula_sum 'K1 Li1 P1' _cell_volume 72.08342908 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.14878407 1 Li Li1 1 0.00000000 0.00000000 3.03156447 1 P P2 1 0.00000000 0.00000000 8.12785532 1 [/CIF]
KLiP
I4mm
107
tetragonal
4mm
1,774.099814
false
[CIF] data_Be2SiRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.99107028 _cell_length_b 2.99107028 _cell_length_c 4.87741826 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2SiRu _chemical_formula_sum 'Be2 Si1 Ru1' _cell_volume 43.63582939 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.49553514 1.49553514 0.07012825 1 Be Be1 1 0.00000000 0.00000000 1.12748195 1 Ru Ru2 1 1.49553514 1.49553514 2.43515315 1 Si Si3 1 0.00000000 0.00000000 3.68336403 1 [/CIF]
Be2RuSi
P4mm
99
tetragonal
4mm
5,600.854101
false
[CIF] data_LaSiPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.83116015 _cell_length_b 5.83116015 _cell_length_c 5.83116015 _cell_angle_alpha 43.08757942 _cell_angle_beta 43.08757942 _cell_angle_gamma 43.08757942 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaSiPd2 _chemical_formula_sum 'La1 Si1 Pd2' _cell_volume 83.87865939 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 12.03797833 1 Pd Pd1 1 -0.00000000 -0.00000000 15.21035179 1 Pd Pd2 1 -0.00000000 0.00000000 3.39809354 1 Si Si3 1 -0.00000000 0.00000000 8.96112355 1 [/CIF]
LaPd2Si
R3m
160
trigonal
3m
7,519.483136
false
[CIF] data_YIrSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.97376390 _cell_length_b 5.97376390 _cell_length_c 5.97376390 _cell_angle_alpha 40.90771697 _cell_angle_beta 40.90771697 _cell_angle_gamma 40.90771697 _symmetry_Int_Tables_number 1 _chemical_formula_structural YIrSe2 _chemical_formula_sum 'Y1 Ir1 Se2' _cell_volume 82.51270058 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.19875519 1 Se Se1 1 0.00000000 -0.00000000 3.85889990 1 Se Se2 1 0.00000000 0.00000000 12.53861047 1 Y Y3 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
IrSe2Y
R-3m
166
trigonal
-3m
8,835.582875
false
[CIF] data_ScZnCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34497403 _cell_length_b 5.34497403 _cell_length_c 5.34497403 _cell_angle_alpha 145.51298618 _cell_angle_beta 145.51298618 _cell_angle_gamma 49.57071235 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScZnCu _chemical_formula_sum 'Sc1 Zn1 Cu1' _cell_volume 48.72833521 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.54567809 1 Sc Sc1 1 0.00000000 0.00000000 6.43113047 1 Zn Zn2 1 0.00000000 -0.00000000 3.43367104 1 [/CIF]
CuScZn
I4mm
107
tetragonal
4mm
5,925.458086
false
[CIF] data_YBeGaSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95646931 _cell_length_b 4.95646931 _cell_length_c 4.95646931 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YBeGaSn _chemical_formula_sum 'Y1 Be1 Ga1 Sn1' _cell_volume 86.09982455 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 5.25712959 5.25712959 5.25712959 1 Sn Sn2 1 3.50475306 3.50475306 3.50475306 1 Y Y3 1 1.75237653 1.75237653 1.75237653 1 [/CIF]
BeGaSnY
F-43m
216
cubic
-43m
5,522.62537
false
[CIF] data_LiTi2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.72341776 _cell_length_b 9.72341776 _cell_length_c 9.72341776 _cell_angle_alpha 16.72536759 _cell_angle_beta 16.72536759 _cell_angle_gamma 16.72536759 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTi2Ir _chemical_formula_sum 'Li1 Ti2 Ir1' _cell_volume 66.40413410 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 14.37798190 1 Li Li1 1 0.00000000 -0.00000000 -0.00000000 1 Ti Ti2 1 0.00000000 -0.00000000 6.97768178 1 Ti Ti3 1 0.00000000 -0.00000000 21.77828202 1 [/CIF]
IrLiTi2
R-3m
166
trigonal
-3m
7,374.234955
false
[CIF] data_NbIn2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.24631675 _cell_length_b 9.24631675 _cell_length_c 9.24631675 _cell_angle_alpha 19.40091754 _cell_angle_beta 19.40091754 _cell_angle_gamma 19.40091754 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbIn2Rh _chemical_formula_sum 'Nb1 In2 Rh1' _cell_volume 76.26107318 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 -0.00000000 -0.00000000 6.64356891 1 In In1 1 0.00000000 0.00000000 20.56528578 1 Nb Nb2 1 -0.00000000 -0.00000000 -0.00000000 1 Rh Rh3 1 0.00000000 -0.00000000 13.60442734 1 [/CIF]
In2NbRh
R-3m
166
trigonal
-3m
9,263.872064
false
[CIF] data_Na2InTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.42846484 _cell_length_b 3.42846484 _cell_length_c 9.58149391 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 94.37019905 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2InTe _chemical_formula_sum 'Na2 In1 Te1' _cell_volume 112.29698268 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 0.00000000 0.00000000 0.00000000 1 Na Na1 1 2.33009475 0.00000000 2.54101401 1 Na Na2 1 2.33009475 0.00000000 7.04047990 1 Te Te3 1 0.00000000 0.00000000 4.79074696 1 [/CIF]
InNa2Te
Cmmm
65
orthorhombic
mmm
4,264.543606
false
[CIF] data_NaCr2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24392865 _cell_length_b 5.24392865 _cell_length_c 5.24392865 _cell_angle_alpha 139.74220490 _cell_angle_beta 139.74220490 _cell_angle_gamma 58.24493356 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCr2Au _chemical_formula_sum 'Na1 Cr2 Au1' _cell_volume 59.67426693 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 0.00000000 -0.00000000 4.58099882 1 Cr Cr1 1 0.00000000 1.80461042 2.29049941 1 Cr Cr2 1 1.80461042 -0.00000000 2.29049941 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuCr2Na
I4/mmm
139
tetragonal
4/mmm
9,014.424995
false
[CIF] data_Sc2BeCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76474959 _cell_length_b 4.76474959 _cell_length_c 3.42190977 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2BeCd _chemical_formula_sum 'Sc2 Be1 Cd1' _cell_volume 77.68706527 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cd Cd1 1 2.38237479 2.38237479 0.00000000 1 Sc Sc2 1 2.38237479 0.00000000 1.71095488 1 Sc Sc3 1 0.00000000 2.38237479 1.71095488 1 [/CIF]
BeCdSc2
P4/mmm
123
tetragonal
4/mmm
4,517.237103
false
[CIF] data_CrGeAu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83438309 _cell_length_b 4.83438309 _cell_length_c 4.83438309 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrGeAu3 _chemical_formula_sum 'Cr1 Ge1 Au3' _cell_volume 112.98562346 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 2.41719155 2.41719155 2.41719155 1 Au Au2 1 0.00000000 2.41719155 0.00000000 1 Au Au3 1 0.00000000 0.00000000 2.41719155 1 Au Au4 1 2.41719155 0.00000000 0.00000000 1 [/CIF]
Au3CrGe
Pm-3m
221
cubic
m-3m
10,516.162363
false
[CIF] data_SrTi2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28934371 _cell_length_b 3.28934371 _cell_length_c 8.45438918 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTi2Mo _chemical_formula_sum 'Sr1 Ti2 Mo1' _cell_volume 91.47464823 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 0.00000000 0.00000000 4.22719459 1 Sr Sr1 1 0.00000000 0.00000000 0.00000000 1 Ti Ti2 1 1.64467185 1.64467185 2.85958825 1 Ti Ti3 1 1.64467185 1.64467185 5.59480093 1 [/CIF]
MoSrTi2
P4/mmm
123
tetragonal
4/mmm
5,070.386495
false
[CIF] data_Er12In3Fe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.28133578 _cell_length_b 8.28133578 _cell_length_c 8.28133578 _cell_angle_alpha 110.20361207 _cell_angle_beta 110.20361207 _cell_angle_gamma 108.01616304 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er12In3Fe2 _chemical_formula_sum 'Er12 In3 Fe2' _cell_volume 436.98831641 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Er Er0 1 2.89538433 2.89538433 -0.00000000 1 Er Er1 1 1.84253367 1.84253367 4.86670200 1 Er Er2 1 1.84253367 -1.84253367 4.86670200 1 Er Er3 1 -1.84253367 1.84253367 4.86670200 1 Er Er4 1 -0.00000000 2.34551578 2.01596317 1 Er Er5 1 4.73791800 2.39240222 2.85073883 1 Er Er6 1 -0.00000000 7.13032022 2.01596317 1 Er Er7 1 7.13032022 -0.00000000 2.01596317 1 Er Er8 1 4.73791800 -2.39240222 2.85073883 1 Er Er9 1 -2.39240222 4.73791800 2.85073883 1 Er Er10 1 2.34551578 -0.00000000 2.01596317 1 Er Er11 1 2.39240222 4.73791800 2.85073883 1 In In12 1 0.00000000 0.00000000 0.00000000 1 In In13 1 0.00000000 4.73791800 -0.00000000 1 In In14 1 4.73791800 0.00000000 -0.00000000 1 Fe Fe15 1 -0.00000000 0.00000000 3.77603515 1 Fe Fe16 1 0.00000000 -0.00000000 5.95736885 1 [/CIF]
Er12Fe2In3
I4/mmm
139
tetragonal
4/mmm
9,360.26439
false
[CIF] data_NaCr2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.86340592 _cell_length_b 2.86340592 _cell_length_c 9.68991641 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 115.79237299 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCr2Hg _chemical_formula_sum 'Na1 Cr2 Hg1' _cell_volume 71.53360530 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 1.52177128 -0.00000000 9.20190441 1 Cr Cr1 1 0.00000000 0.00000000 7.66401526 1 Hg Hg2 1 1.52177128 -0.00000000 5.11086783 1 Na Na3 1 0.00000000 0.00000000 2.24800353 1 [/CIF]
Cr2HgNa
Cmm2
35
orthorhombic
mm2
7,604.063151
false
[CIF] data_LaCd2In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.05634152 _cell_length_b 6.05634152 _cell_length_c 6.05634152 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCd2In _chemical_formula_sum 'La1 Cd2 In1' _cell_volume 157.07825737 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.42372024 6.42372024 6.42372024 1 In In2 1 4.28248016 4.28248016 4.28248016 1 La La3 1 2.14124008 2.14124008 2.14124008 1 [/CIF]
Cd2InLa
F-43m
216
cubic
-43m
5,058.901603
false
[CIF] data_NaAlFeMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39746688 _cell_length_b 4.39746688 _cell_length_c 4.39746688 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaAlFeMo _chemical_formula_sum 'Na1 Al1 Fe1 Mo1' _cell_volume 60.13021178 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 3.10947865 3.10947865 3.10947865 1 Fe Fe1 1 1.55473932 1.55473932 1.55473932 1 Mo Mo2 1 4.66421798 4.66421798 4.66421798 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AlFeMoNa
F-43m
216
cubic
-43m
5,572.197936
false
[CIF] data_CdPbSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24401590 _cell_length_b 4.24401590 _cell_length_c 7.10071247 _cell_angle_alpha 107.09246242 _cell_angle_beta 107.09246242 _cell_angle_gamma 55.89300221 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdPbSe2 _chemical_formula_sum 'Cd1 Pb1 Se2' _cell_volume 99.86343809 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 2.56784983 0.00000000 3.34808479 1 Se Se2 1 5.09745264 0.00000000 1.52278697 1 Se Se3 1 0.03824703 0.00000000 5.17338261 1 [/CIF]
CdPbSe2
C2/m
12
monoclinic
2/m
7,940.432416
false
[CIF] data_Li2BeOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93268722 _cell_length_b 4.93268722 _cell_length_c 2.46992744 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 124.06404408 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2BeOs _chemical_formula_sum 'Li2 Be1 Os1' _cell_volume 49.78491065 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Li Li1 1 1.15666094 2.17829894 1.23496372 1 Li Li2 1 1.15666094 -2.17829894 1.23496372 1 Os Os3 1 2.31332188 -0.00000000 0.00000000 1 [/CIF]
BeLi2Os
Cmmm
65
orthorhombic
mmm
7,108.600289
false
[CIF] data_Hf2InCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.21794210 _cell_length_b 3.21794210 _cell_length_c 9.70343142 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 121.68274034 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2InCl _chemical_formula_sum 'Hf2 In1 Cl1' _cell_volume 85.50582779 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 0.00000000 0.00000000 0.00000000 1 Hf Hf1 1 1.56787549 0.00000000 2.25290389 1 Hf Hf2 1 1.56787549 0.00000000 7.45052753 1 In In3 1 0.00000000 0.00000000 4.85171571 1 [/CIF]
ClHf2In
Cmmm
65
orthorhombic
mmm
9,850.90869
false
[CIF] data_FeRe2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66676788 _cell_length_b 4.66676788 _cell_length_c 4.66676788 _cell_angle_alpha 133.75148362 _cell_angle_beta 133.75148362 _cell_angle_gamma 67.47642623 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeRe2P _chemical_formula_sum 'Fe1 Re2 P1' _cell_volume 52.14289213 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.83276351 1.94040449 1 P P1 1 0.00000000 -0.00000000 0.00000000 1 Re Re2 1 1.83276351 0.00000000 1.94040449 1 Re Re3 1 0.00000000 -0.00000000 3.88080897 1 [/CIF]
FePRe2
I-4m2
119
tetragonal
-42m
14,624.695923
false
[CIF] data_Ba2YW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.89395923 _cell_length_b 4.01175347 _cell_length_c 9.41500094 _cell_angle_alpha 90.00000000 _cell_angle_beta 93.94137168 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2YW _chemical_formula_sum 'Ba2 Y1 W1' _cell_volume 146.72956891 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.51330722 2.00587674 8.84057254 1 Ba Ba1 1 1.80845055 0.00000000 3.00328909 1 W W2 1 3.42953509 2.00587674 5.27523373 1 Y Y3 1 1.44537398 0.00000000 6.36273861 1 [/CIF]
Ba2WY
Pm
6
monoclinic
m
6,194.926099
false
[CIF] data_LiGeOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.74547898 _cell_length_b 4.23937646 _cell_length_c 4.87112524 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.91144146 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiGeOs2 _chemical_formula_sum 'Li1 Ge1 Os2' _cell_volume 56.66405941 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.29150189 0.00000000 2.43420741 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 1.92220489 2.11968823 1.14963687 1 Os Os3 1 0.66079888 2.11968823 3.71877795 1 [/CIF]
GeLiOs2
P2/m
10
monoclinic
2/m
13,481.491807
false
[CIF] data_Mg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19463698 _cell_length_b 3.19463698 _cell_length_c 5.17724588 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg _chemical_formula_sum Mg2 _cell_volume 45.75857073 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 1.59731849 0.92221226 3.88293441 1 Mg Mg1 1 0.00000000 1.84442452 1.29431147 1 [/CIF]
Mg2
P6_3/mmc
194
hexagonal
6/mmm
1,764.014977
false
[CIF] data_YGeOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89884593 _cell_length_b 4.89884593 _cell_length_c 4.89884593 _cell_angle_alpha 129.18986133 _cell_angle_beta 129.18986133 _cell_angle_gamma 74.70527014 _symmetry_Int_Tables_number 1 _chemical_formula_structural YGeOs2 _chemical_formula_sum 'Y1 Ge1 Os2' _cell_volume 68.80308097 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 2.10167866 -0.00000000 1.94708661 1 Os Os2 1 -0.00000000 2.10167866 1.94708661 1 Y Y3 1 0.00000000 -0.00000000 3.89417322 1 [/CIF]
GeOs2Y
I4/mmm
139
tetragonal
4/mmm
13,081.127698
false
[CIF] data_Fe2OsRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.69314074 _cell_length_b 3.69314074 _cell_length_c 3.61471490 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2OsRu _chemical_formula_sum 'Fe2 Os1 Ru1' _cell_volume 49.30213946 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.84657037 1.80735745 1 Fe Fe1 1 1.84657037 0.00000000 1.80735745 1 Os Os2 1 1.84657037 1.84657037 0.00000000 1 Ru Ru3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Fe2OsRu
P4/mmm
123
tetragonal
4/mmm
13,573.054756
false
[CIF] data_LiAu5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.61494679 _cell_length_b 6.61494679 _cell_length_c 4.09964887 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 144.51762593 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiAu5 _chemical_formula_sum 'Li1 Au5' _cell_volume 104.12764454 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.01569205 -4.23649280 2.04982443 1 Au Au1 1 2.01569205 -2.01998287 0.00000000 1 Au Au2 1 2.01569205 -0.00000000 2.04982443 1 Au Au3 1 2.01569205 2.01998287 0.00000000 1 Au Au4 1 2.01569205 4.23649280 2.04982443 1 Li Li5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au5Li
Cmmm
65
orthorhombic
mmm
15,815.965319
false
[CIF] data_VPtBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.99413516 _cell_length_b 6.99413516 _cell_length_c 6.99413516 _cell_angle_alpha 149.67666153 _cell_angle_beta 137.48445056 _cell_angle_gamma 53.10976465 _symmetry_Int_Tables_number 1 _chemical_formula_structural VPtBr2 _chemical_formula_sum 'V1 Pt1 Br2' _cell_volume 116.08466011 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.53582514 5.18915841 1 Br Br1 1 0.00000000 -0.00000000 2.18383136 1 Pt Pt2 1 -0.00000000 2.53582514 1.72807394 1 V V3 1 -0.00000000 0.00000000 9.66783540 1 [/CIF]
Br2PtV
Imm2
44
orthorhombic
mm2
5,805.266438
false
[CIF] data_MgCuPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19499729 _cell_length_b 4.19499729 _cell_length_c 4.19499729 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCuPd _chemical_formula_sum 'Mg1 Cu1 Pd1' _cell_volume 52.20114819 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 1.48315551 1.48315551 1.48315551 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 4.44946654 4.44946654 4.44946654 1 [/CIF]
CuMgPd
F-43m
216
cubic
-43m
6,179.836961
false
[CIF] data_LaFeAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.82824135 _cell_length_b 5.82824135 _cell_length_c 5.82824135 _cell_angle_alpha 145.59102566 _cell_angle_beta 145.59102566 _cell_angle_gamma 49.45462879 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaFeAg _chemical_formula_sum 'La1 Fe1 Ag1' _cell_volume 62.92919022 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.26247192 1 Fe Fe1 1 -0.00000000 0.00000000 3.67830949 1 La La2 1 0.00000000 0.00000000 7.23459176 1 [/CIF]
AgFeLa
I4mm
107
tetragonal
4mm
7,985.326397
false
[CIF] data_Ga2CuRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31090051 _cell_length_b 4.31090051 _cell_length_c 2.99520599 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 98.75412138 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2CuRu _chemical_formula_sum 'Ga2 Cu1 Ru1' _cell_volume 55.01406188 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 1.40336657 1.63600980 1.49760299 1 Ga Ga2 1 1.40336657 -1.63600981 1.49760299 1 Ru Ru3 1 2.80673314 -0.00000000 0.00000000 1 [/CIF]
CuGa2Ru
Cmmm
65
orthorhombic
mmm
9,177.777688
false
[CIF] data_TaIn4Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.61703017 _cell_length_b 5.61703017 _cell_length_c 5.61703017 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaIn4Ru _chemical_formula_sum 'Ta1 In4 Ru1' _cell_volume 125.31563835 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.97931877 2.97931877 4.96436147 1 In In1 1 2.97931877 4.96436147 2.97931877 1 In In2 1 4.96436147 2.97931877 2.97931877 1 In In3 1 4.96436147 4.96436147 4.96436147 1 Ru Ru4 1 0.00000000 0.00000000 0.00000000 1 Ta Ta5 1 1.98592006 1.98592006 1.98592006 1 [/CIF]
In4RuTa
F-43m
216
cubic
-43m
9,822.723018
false
[CIF] data_HfNbHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01139614 _cell_length_b 5.01139614 _cell_length_c 2.79647000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfNbHg _chemical_formula_sum 'Hf1 Nb1 Hg1' _cell_volume 60.82165925 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000003 2.89333092 0.09164362 1 Hg Hg1 1 2.50569804 1.44666547 0.95033584 1 Nb Nb2 1 0.00000000 0.00000000 1.75449054 1 [/CIF]
HfHgNb
P3m1
156
trigonal
3m
12,886.064472
false
[CIF] data_K2CuH12(SeO7)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.47007134 _cell_length_b 11.87999544 _cell_length_c 8.65650922 _cell_angle_alpha 90.00000000 _cell_angle_beta 100.24471371 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2CuH12(SeO7)2 _chemical_formula_sum 'K4 Cu2 H24 Se4 O28' _cell_volume 654.76950359 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 0.00000000 0.00000000 0.00000000 1 Cu Cu1 1 -0.76979200 5.93999772 4.25924973 1 H H2 1 -0.92571221 9.30972754 7.39588713 1 H H3 1 -0.15592021 8.51026562 3.13663740 1 H H4 1 -0.55893135 5.17052661 6.47271588 1 H H5 1 0.21086065 0.76947111 2.21346615 1 H H6 1 0.15227149 9.98894822 2.42924758 1 H H7 1 -0.61752052 7.83104494 6.68849731 1 H H8 1 2.39148385 11.63580023 1.45221675 1 H H9 1 1.62169185 6.18419293 5.71146648 1 H H10 1 1.75200522 5.41346634 3.16743127 1 H H11 1 0.98221321 0.52653138 7.42668100 1 H H12 1 0.98383009 4.39841173 4.69089786 1 H H13 1 1.75362209 1.54158599 0.43164813 1 H H14 1 3.17686525 10.33840945 8.08685133 1 H H15 1 3.94665725 7.48158371 3.82760160 1 H H16 1 3.94827413 11.35346406 1.09181846 1 H H17 1 3.17848212 6.46652910 5.35106819 1 H H18 1 3.30879549 5.69580251 2.80703298 1 H H19 1 2.53900349 0.24419521 7.06628271 1 H H20 1 5.54800785 4.04895050 1.83000215 1 H H21 1 4.77821585 1.89104722 6.08925188 1 H H22 1 4.71962669 11.11052433 6.30503331 1 H H23 1 5.48941869 6.70946883 2.04578358 1 H H24 1 5.08640755 3.36972982 5.38186205 1 H H25 1 5.85619955 2.57026790 1.12261233 1 K K26 1 1.32880404 9.66014606 5.63702016 1 K K27 1 2.09859604 8.15984710 1.37777043 1 K K28 1 2.83189130 3.72014834 7.14072903 1 K K29 1 3.60168330 2.21984938 2.88147930 1 O O30 1 5.58432196 3.51229071 0.92484752 1 O O31 1 4.81452996 2.42770701 5.18409725 1 O O32 1 -1.03646255 10.93161398 6.96937524 1 O O33 1 -0.26667055 6.88837918 2.71012551 1 O O34 1 0.30187370 10.36814829 1.03525494 1 O O35 1 -0.46791830 7.45184487 5.29450467 1 O O36 1 0.43793543 5.32392967 7.89908290 1 O O37 1 1.20772744 0.61606805 3.63983317 1 O O38 1 0.97880484 5.39115749 4.52425582 1 O O39 1 1.74859684 0.54884023 0.26500609 1 O O40 1 2.41301330 5.46298917 2.37867376 1 O O41 1 1.64322129 0.47700855 6.63792349 1 O O42 1 2.34673922 3.04253954 0.62349368 1 O O43 1 1.57694722 2.89745818 4.88274341 1 O O44 1 3.35354012 8.98253726 3.63575605 1 O O45 1 2.58374812 8.83745590 7.89500578 1 O O46 1 3.28726605 11.40298689 1.88057597 1 O O47 1 2.51747404 6.41700627 6.13982570 1 O O48 1 3.18189050 11.33115521 8.25349337 1 O O49 1 3.95168250 6.48883795 3.99424364 1 O O50 1 3.72275990 11.26392739 4.87866628 1 O O51 1 4.49255191 6.55606577 0.61941655 1 O O52 1 5.39840564 4.42815057 3.22399479 1 O O53 1 4.62861364 1.51184715 7.48324452 1 O O54 1 5.19715789 4.99161626 5.80837395 1 O O55 1 5.96694989 0.94838146 1.54912422 1 O O56 1 0.11595738 9.45228843 3.33440221 1 O O57 1 -0.65383462 8.36770473 7.59365193 1 Se Se58 1 1.45965470 4.45803624 0.71323786 1 Se Se59 1 0.68986270 1.48196148 4.97248759 1 Se Se60 1 4.24062464 10.39803396 3.54601187 1 Se Se61 1 3.47083264 7.42195920 7.80526160 1 [/CIF]
Cu2H24K4O28Se4
P2_1/c
14
monoclinic
2/m
2,717.392721
true
[CIF] data_SrGa2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.41440066 _cell_length_b 3.41440066 _cell_length_c 7.20140424 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrGa2Pd _chemical_formula_sum 'Sr1 Ga2 Pd1' _cell_volume 83.95492026 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.70720033 1.70720033 2.27794344 1 Ga Ga1 1 1.70720033 1.70720033 4.92346080 1 Pd Pd2 1 0.00000000 0.00000000 3.60070212 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ga2PdSr
P4/mmm
123
tetragonal
4/mmm
6,595.998537
false
[CIF] data_Ga3CuN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27077783 _cell_length_b 4.27077783 _cell_length_c 4.27077783 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga3CuN _chemical_formula_sum 'Ga3 Cu1 N1' _cell_volume 77.89703704 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 2.13538892 2.13538892 2.13538892 1 Ga Ga1 1 0.00000000 2.13538892 0.00000000 1 Ga Ga2 1 0.00000000 0.00000000 2.13538892 1 Ga Ga3 1 2.13538892 0.00000000 0.00000000 1 N N4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CuGa3N
Pm-3m
221
cubic
m-3m
6,112.07566
false
[CIF] data_VZn2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.03264207 _cell_length_b 4.03264207 _cell_length_c 3.80602532 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VZn2Ag _chemical_formula_sum 'V1 Zn2 Ag1' _cell_volume 61.89435282 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.01632103 2.01632103 0.00000000 1 V V1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 0.00000000 2.01632103 1.90301266 1 Zn Zn3 1 2.01632103 0.00000000 1.90301266 1 [/CIF]
AgVZn2
P4/mmm
123
tetragonal
4/mmm
7,768.750742
false
[CIF] data_LiTlIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45606967 _cell_length_b 4.45606967 _cell_length_c 4.45606967 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTlIr _chemical_formula_sum 'Li1 Tl1 Ir1' _cell_volume 62.56636425 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 4.72637562 4.72637562 4.72637562 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 3.15091708 3.15091708 3.15091708 1 [/CIF]
IrLiTl
F-43m
216
cubic
-43m
10,710.165144
false
[CIF] data_CaSc2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97290743 _cell_length_b 3.97290743 _cell_length_c 7.02195842 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaSc2Bi _chemical_formula_sum 'Ca1 Sc2 Bi1' _cell_volume 110.83454569 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.98645371 1.98645371 3.28727534 1 Ca Ca1 1 0.00000000 0.00000000 5.18360802 1 Sc Sc2 1 1.98645371 1.98645371 0.27599639 1 Sc Sc3 1 0.00000000 0.00000000 1.78605788 1 [/CIF]
BiCaSc2
P4mm
99
tetragonal
4mm
5,078.500533
false
[CIF] data_As2PtBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76615013 _cell_length_b 4.11437425 _cell_length_c 4.89625931 _cell_angle_alpha 90.00000000 _cell_angle_beta 115.31762821 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural As2PtBr _chemical_formula_sum 'As2 Pt1 Br1' _cell_volume 86.79222481 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.58419435 2.05718713 1.43640333 1 As As1 1 0.08813902 2.05718713 2.98957527 1 Br Br2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 1.33616669 0.00000000 2.21298930 1 [/CIF]
As2BrPt
P2/m
10
monoclinic
2/m
8,128.018447
false
[CIF] data_Co3RhAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59818226 _cell_length_b 4.59818226 _cell_length_c 4.59818226 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co3RhAu _chemical_formula_sum 'Co3 Rh1 Au1' _cell_volume 97.22065546 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 0.00000000 1 Au Au1 1 2.29909113 2.29909113 2.29909113 1 Co Co2 1 2.29909113 0.00000000 2.29909113 1 Co Co3 1 2.29909113 2.29909113 0.00000000 1 Co Co4 1 0.00000000 2.29909113 2.29909113 1 [/CIF]
AuCo3Rh
Pm-3m
221
cubic
m-3m
8,141.602211
false
[CIF] data_Mg2TlOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.53923443 _cell_length_b 5.53923443 _cell_length_c 5.53923443 _cell_angle_alpha 144.01140292 _cell_angle_beta 130.82794676 _cell_angle_gamma 62.42406875 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2TlOs _chemical_formula_sum 'Mg2 Tl1 Os1' _cell_volume 74.73247466 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.30464853 2.58413227 1 Mg Mg1 1 1.71119334 -0.00000000 2.15332809 1 Os Os2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 0.00000000 0.00000000 4.73746036 1 [/CIF]
Mg2OsTl
Immm
71
orthorhombic
mmm
9,848.753971
false
[CIF] data_Hf2ZrP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.18555301 _cell_length_b 3.18555301 _cell_length_c 8.35805660 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 106.82859646 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2ZrP _chemical_formula_sum 'Hf2 Zr1 P1' _cell_volume 81.18324064 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 1.89866768 0.00000000 6.62199271 1 Hf Hf1 1 1.89866768 0.00000000 1.73606389 1 P P2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 0.00000000 0.00000000 4.17902830 1 [/CIF]
Hf2PZr
Cmmm
65
orthorhombic
mmm
9,801.202654
false
[CIF] data_AlAg2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.79773019 _cell_length_b 4.26612018 _cell_length_c 5.73629764 _cell_angle_alpha 90.00000000 _cell_angle_beta 103.62497156 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlAg2W _chemical_formula_sum 'Al1 Ag2 W1' _cell_volume 66.53859046 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.64025135 0.00000000 0.04409933 1 Ag Ag1 1 1.26394811 2.13306009 1.34397932 1 Al Al2 1 1.21998395 0.00000000 2.95748823 1 W W3 1 -0.15677042 2.13306009 4.01673695 1 [/CIF]
Ag2AlW
Pm
6
monoclinic
m
10,645.192756
false
[CIF] data_MnAgMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12602525 _cell_length_b 5.12602525 _cell_length_c 5.12602525 _cell_angle_alpha 143.98017614 _cell_angle_beta 129.87307893 _cell_angle_gamma 63.26256003 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnAgMo2 _chemical_formula_sum 'Mn1 Ag1 Mo2' _cell_volume 60.08256905 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 -0.00000000 0.00000000 4.36450674 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Mo Mo2 1 1.58487227 -0.00000000 1.97433002 1 Mo Mo3 1 0.00000000 2.17149617 2.39017673 1 [/CIF]
AgMnMo2
Immm
71
orthorhombic
mmm
9,803.882983
false
[CIF] data_BaTiCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.53033889 _cell_length_b 5.53033889 _cell_length_c 5.53033889 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTiCd _chemical_formula_sum 'Ba1 Ti1 Cd1' _cell_volume 119.60249421 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 5.86581019 5.86581019 5.86581019 1 Cd Cd1 1 3.91054013 3.91054013 3.91054013 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaCdTi
F-43m
216
cubic
-43m
4,131.89317
false
[CIF] data_Ca2GeSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36049793 _cell_length_b 5.36049793 _cell_length_c 5.36049793 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2GeSb _chemical_formula_sum 'Ca2 Ge1 Sb1' _cell_volume 108.91818638 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ca Ca1 1 1.89522222 1.89522222 1.89522222 1 Ge Ge2 1 3.79044444 3.79044444 3.79044444 1 Sb Sb3 1 5.68566666 5.68566666 5.68566666 1 [/CIF]
Ca2GeSb
F-43m
216
cubic
-43m
4,185.811196
false
[CIF] data_Ca2ReAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29954582 _cell_length_b 4.26010293 _cell_length_c 5.75757350 _cell_angle_alpha 90.00000000 _cell_angle_beta 109.05478379 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2ReAs _chemical_formula_sum 'Ca2 Re1 As1' _cell_volume 99.68022843 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.53482876 0.00000000 1.42768688 1 Ca Ca1 1 0.41891422 2.13005147 0.51495699 1 Ca Ca2 1 0.32330055 0.00000000 3.59599691 1 Re Re3 1 2.50251766 2.13005147 2.62450608 1 [/CIF]
AsCa2Re
Pm
6
monoclinic
m
5,685.344226
false
[CIF] data_La2AlP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26928693 _cell_length_b 5.26928693 _cell_length_c 5.26928693 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2AlP _chemical_formula_sum 'La2 Al1 P1' _cell_volume 103.45239421 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 La La1 1 5.58892278 5.58892278 5.58892278 1 La La2 1 1.86297426 1.86297426 1.86297426 1 P P3 1 3.72594852 3.72594852 3.72594852 1 [/CIF]
AlLa2P
Fm-3m
225
cubic
m-3m
5,389.464053
false
[CIF] data_BAsOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.85499064 _cell_length_b 2.85499064 _cell_length_c 7.66537035 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.37397837 _symmetry_Int_Tables_number 1 _chemical_formula_structural BAsOs2 _chemical_formula_sum 'B1 As1 Os2' _cell_volume 54.44755124 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.83268517 1 B B1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 1.44098136 0.00000000 1.50165747 1 Os Os3 1 1.44098136 0.00000000 6.16371288 1 [/CIF]
AsBOs2
Cmmm
65
orthorhombic
mmm
14,217.921783
false
[CIF] data_CaHf2Sc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.78973408 _cell_length_b 5.78973408 _cell_length_c 5.78973408 _cell_angle_alpha 133.59359241 _cell_angle_beta 133.59359241 _cell_angle_gamma 67.72347184 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaHf2Sc _chemical_formula_sum 'Ca1 Hf2 Sc1' _cell_volume 100.06744281 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 2.28111646 -0.00000000 2.40385296 1 Hf Hf2 1 -0.00000000 2.28111646 2.40385296 1 Sc Sc3 1 0.00000000 -0.00000000 4.80770591 1 [/CIF]
CaHf2Sc
I4/mmm
139
tetragonal
4/mmm
7,334.866848
false
[CIF] data_LaGa2Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36983877 _cell_length_b 5.36983877 _cell_length_c 5.36983877 _cell_angle_alpha 139.04868384 _cell_angle_beta 123.12069798 _cell_angle_gamma 72.44198667 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaGa2Re _chemical_formula_sum 'La1 Ga2 Re1' _cell_volume 83.23964711 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.87842012 0.00000000 2.44543923 1 Ga Ga1 1 -0.00000000 2.55729361 1.88664522 1 La La2 1 0.00000000 0.00000000 0.00000000 1 Re Re3 1 0.00000000 0.00000000 4.33208445 1 [/CIF]
Ga2LaRe
Immm
71
orthorhombic
mmm
9,267.428623
false
[CIF] data_LaSbAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63302967 _cell_length_b 4.63302967 _cell_length_c 4.53024292 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaSbAu2 _chemical_formula_sum 'La1 Sb1 Au2' _cell_volume 97.24150084 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 0.00000000 2.31651483 2.26512146 1 Au Au1 1 2.31651483 0.00000000 2.26512146 1 La La2 1 2.31651483 2.31651483 0.00000000 1 Sb Sb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2LaSb
P4/mmm
123
tetragonal
4/mmm
11,178.216627
false
[CIF] data_KScVZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98481419 _cell_length_b 4.98481419 _cell_length_c 4.98481419 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KScVZn _chemical_formula_sum 'K1 Sc1 V1 Zn1' _cell_volume 87.58544220 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sc Sc1 1 5.28719388 5.28719388 5.28719388 1 V V2 1 1.76239796 1.76239796 1.76239796 1 Zn Zn3 1 3.52479592 3.52479592 3.52479592 1 [/CIF]
KScVZn
F-43m
216
cubic
-43m
3,798.938378
false
[CIF] data_Cu2TcRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.64703459 _cell_length_b 4.03961039 _cell_length_c 5.01081362 _cell_angle_alpha 90.00000000 _cell_angle_beta 95.27782872 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu2TcRu _chemical_formula_sum 'Cu2 Tc1 Ru1' _cell_volume 53.35341018 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 1.28999621 2.01980519 1.23604413 1 Cu Cu1 1 0.89611732 2.01980519 3.75352549 1 Ru Ru2 1 -0.23046053 0.00000000 2.49478481 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cu2RuTc
P2/m
10
monoclinic
2/m
10,179.471598
false
[CIF] data_GaMoPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.47227700 _cell_length_b 5.47227700 _cell_length_c 5.47227700 _cell_angle_alpha 143.18729753 _cell_angle_beta 143.18729753 _cell_angle_gamma 53.04431851 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaMoPb _chemical_formula_sum 'Ga1 Mo1 Pb1' _cell_volume 58.47495959 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.46971060 1 Mo Mo1 1 0.00000000 -0.00000000 3.55220890 1 Pb Pb2 1 0.00000000 0.00000000 6.56361659 1 [/CIF]
GaMoPb
I4mm
107
tetragonal
4mm
10,589.119149
false
[CIF] data_TiIrPdPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43980402 _cell_length_b 4.43980402 _cell_length_c 4.43980402 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiIrPdPt _chemical_formula_sum 'Ti1 Ir1 Pd1 Pt1' _cell_volume 61.88371859 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 1.56970776 1.56970776 1.56970776 1 Pd Pd1 1 4.70912329 4.70912329 4.70912329 1 Pt Pt2 1 3.13941553 3.13941553 3.13941553 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrPdPtTi
F-43m
216
cubic
-43m
14,532.546726
false
[CIF] data_Na2BePb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.58406969 _cell_length_b 10.58406969 _cell_length_c 10.58406969 _cell_angle_alpha 18.29228479 _cell_angle_beta 18.29228479 _cell_angle_gamma 18.29228479 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2BePb _chemical_formula_sum 'Na2 Be1 Pb1' _cell_volume 102.01076052 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Na Na1 1 -0.00000000 0.00000000 23.15398681 1 Na Na2 1 -0.00000000 0.00000000 8.05880348 1 Pb Pb3 1 0.00000000 -0.00000000 15.60639514 1 [/CIF]
BeNa2Pb
R-3m
166
trigonal
-3m
4,267.977148
false
[CIF] data_LiSc2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.39538943 _cell_length_b 3.39538943 _cell_length_c 7.44591156 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 96.36024699 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiSc2Hg _chemical_formula_sum 'Li1 Sc2 Hg1' _cell_volume 85.31310005 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 0.00000000 0.00000000 3.72295578 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Sc Sc2 1 2.26401526 0.00000000 1.93694027 1 Sc Sc3 1 2.26401526 0.00000000 5.50897129 1 [/CIF]
HgLiSc2
Cmmm
65
orthorhombic
mmm
5,789.444166
false
[CIF] data_Ba2NaW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.71713273 _cell_length_b 6.71713273 _cell_length_c 6.71713273 _cell_angle_alpha 134.91493537 _cell_angle_beta 134.91493537 _cell_angle_gamma 65.66239947 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2NaW _chemical_formula_sum 'Ba2 Na1 W1' _cell_volume 149.71514524 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.64421518 1 Ba Ba1 1 0.00000000 2.57514146 2.82210759 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 2.57514146 -0.00000000 2.82210759 1 [/CIF]
Ba2NaW
I-4m2
119
tetragonal
-42m
5,340.29211
false
[CIF] data_Tl2AgPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.41171104 _cell_length_b 3.41171104 _cell_length_c 7.46401089 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2AgPt _chemical_formula_sum 'Tl2 Ag1 Pt1' _cell_volume 86.87938661 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 0.00000000 0.00000000 3.73200544 1 Tl Tl2 1 1.70585552 1.70585552 5.46237948 1 Tl Tl3 1 1.70585552 1.70585552 2.00163141 1 [/CIF]
AgPtTl2
P4/mmm
123
tetragonal
4/mmm
13,603.190791
false
[CIF] data_AlC2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37399145 _cell_length_b 4.37399145 _cell_length_c 4.72622525 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 146.08713361 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlC2 _chemical_formula_sum 'Al2 C4' _cell_volume 50.44883531 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 1.27565038 -2.84841573 3.54466894 1 Al Al1 1 1.27565038 2.84841573 1.18155631 1 C C2 1 1.27565038 3.05979437 3.54466894 1 C C3 1 1.27565038 -0.32446504 3.54466894 1 C C4 1 1.27565038 0.32446504 1.18155631 1 C C5 1 1.27565038 -3.05979437 1.18155631 1 [/CIF]
C4Al2
Cmcm
63
orthorhombic
mmm
3,357.555097
false
[CIF] data_BaTlBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.22813524 _cell_length_b 7.22813524 _cell_length_c 7.22813524 _cell_angle_alpha 144.64334495 _cell_angle_beta 144.64334495 _cell_angle_gamma 50.86634129 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTlBr _chemical_formula_sum 'Ba1 Tl1 Br1' _cell_volume 125.79974840 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 12.80516907 1 Br Br1 1 0.00000000 -0.00000000 4.95731175 1 Tl Tl2 1 0.00000000 -0.00000000 8.34805370 1 [/CIF]
BaBrTl
I4mm
107
tetragonal
4mm
5,565.249734
false
[CIF] data_Tl2CdFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20052164 _cell_length_b 5.20052164 _cell_length_c 5.87603010 _cell_angle_alpha 102.94474301 _cell_angle_beta 102.94474301 _cell_angle_gamma 36.51326207 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2CdFe _chemical_formula_sum 'Tl2 Cd1 Fe1' _cell_volume 91.89029237 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.24570858 -0.00000000 2.85510712 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 1.53316543 0.00000000 4.40890986 1 Tl Tl3 1 6.95825174 -0.00000000 1.30130438 1 [/CIF]
CdFeTl2
C2/m
12
monoclinic
2/m
10,427.310055
false
[CIF] data_Al2SbPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58280392 _cell_length_b 4.58280392 _cell_length_c 5.79409102 _cell_angle_alpha 102.43547548 _cell_angle_beta 102.43547548 _cell_angle_gamma 41.27652773 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2SbPd _chemical_formula_sum 'Al2 Sb1 Pd1' _cell_volume 78.12263737 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.26526828 0.00000000 5.33741663 1 Al Al1 1 1.10338058 0.00000000 4.00224475 1 Pd Pd2 1 3.55065978 0.00000000 3.29873884 1 Sb Sb3 1 6.19103256 0.00000000 1.45812010 1 [/CIF]
Al2PdSb
Cm
8
monoclinic
m
5,997.104269
false
[CIF] data_YHfMn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.47009546 _cell_length_b 5.47009546 _cell_length_c 4.97751000 _cell_angle_alpha 105.07920954 _cell_angle_beta 105.07920954 _cell_angle_gamma 32.87602773 _symmetry_Int_Tables_number 1 _chemical_formula_structural YHfMn2 _chemical_formula_sum 'Y1 Hf1 Mn2' _cell_volume 77.81552025 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 1.73272568 0.00000000 3.90533529 1 Mn Mn1 1 -1.05461971 0.00000000 4.64799670 1 Mn Mn2 1 7.22029271 -0.00000000 1.24881726 1 Y Y3 1 4.46588220 0.00000000 2.17512784 1 [/CIF]
HfMn2Y
Cm
8
monoclinic
m
8,050.769218
false
[CIF] data_SrFeIrOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56872421 _cell_length_b 4.56872421 _cell_length_c 4.56872421 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrFeIrOs _chemical_formula_sum 'Sr1 Fe1 Ir1 Os1' _cell_volume 67.43258839 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 4.84586380 4.84586380 4.84586381 1 Os Os2 1 1.61528793 1.61528793 1.61528794 1 Sr Sr3 1 3.23057587 3.23057587 3.23057587 1 [/CIF]
FeIrOsSr
F-43m
216
cubic
-43m
12,950.673293
false
[CIF] data_Sr2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.59092419 _cell_length_b 7.59092419 _cell_length_c 7.59092419 _cell_angle_alpha 150.08158759 _cell_angle_beta 150.08158759 _cell_angle_gamma 42.82165445 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2Au _chemical_formula_sum 'Sr2 Au1' _cell_volume 108.53471802 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Sr Sr1 1 0.00000000 -0.00000000 8.89946783 1 Sr Sr2 1 0.00000000 -0.00000000 5.23463335 1 [/CIF]
AuSr2
I4/mmm
139
tetragonal
4/mmm
5,694.616063
false
[CIF] data_Ba(CdRh)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.54069214 _cell_length_b 6.54069214 _cell_length_c 6.54069214 _cell_angle_alpha 139.16070364 _cell_angle_beta 139.16070364 _cell_angle_gamma 59.12989606 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba(CdRh)2 _chemical_formula_sum 'Ba1 Cd2 Rh2' _cell_volume 118.50443741 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 0.00000000 0.00000000 1 Cd Cd1 1 0.00000000 2.28200461 2.84453702 1 Cd Cd2 1 2.28200461 -0.00000000 2.84453703 1 Rh Rh3 1 0.00000000 0.00000000 6.93393220 1 Rh Rh4 1 -0.00000000 0.00000000 4.44421590 1 [/CIF]
BaCd2Rh2
I4/mmm
139
tetragonal
4/mmm
7,958.518591
false
[CIF] data_BaCrCoBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16246929 _cell_length_b 5.16246929 _cell_length_c 5.16246929 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCrCoBi _chemical_formula_sum 'Ba1 Cr1 Co1 Bi1' _cell_volume 97.28758990 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.82520852 1.82520852 1.82520852 1 Bi Bi1 1 5.47562556 5.47562556 5.47562556 1 Co Co2 1 3.65041704 3.65041704 3.65041704 1 Cr Cr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaBiCoCr
F-43m
216
cubic
-43m
7,804.277971
false
[CIF] data_AlRuAu4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.39081744 _cell_length_b 5.39081744 _cell_length_c 5.39081744 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlRuAu4 _chemical_formula_sum 'Al1 Ru1 Au4' _cell_volume 110.77681566 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Au Au1 1 4.76394136 4.76394136 2.85982578 1 Au Au2 1 4.76394136 2.85982578 4.76394136 1 Au Au3 1 2.85982578 4.76394136 4.76394136 1 Au Au4 1 2.85982578 2.85982578 2.85982578 1 Ru Ru5 1 5.71782536 5.71782536 5.71782535 1 [/CIF]
AlAu4Ru
F-43m
216
cubic
-43m
13,729.563392
false
[CIF] data_ZrMo2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36681292 _cell_length_b 5.36681292 _cell_length_c 5.36681292 _cell_angle_alpha 144.74913792 _cell_angle_beta 128.47704346 _cell_angle_gamma 63.97049746 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrMo2W _chemical_formula_sum 'Zr1 Mo2 W1' _cell_volume 69.01775498 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 1.62503306 0.00000000 2.36009344 1 Mo Mo1 1 0.00000000 2.33255476 2.19195409 1 W W2 1 -0.00000000 -0.00000000 4.55204753 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mo2WZr
Immm
71
orthorhombic
mmm
11,235.444788
false
[CIF] data_TlRhW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.86130883 _cell_length_b 2.86130883 _cell_length_c 8.80282193 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 104.54956677 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlRhW2 _chemical_formula_sum 'Tl1 Rh1 W2' _cell_volume 69.75826026 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 4.60169488 1 Tl Tl1 1 1.75076394 0.00000000 2.29924321 1 W W2 1 0.00000000 0.00000000 8.60326213 1 W W3 1 1.75076394 0.00000000 6.50285451 1 [/CIF]
RhTlW2
Cmm2
35
orthorhombic
mm2
16,067.087352
false
[CIF] data_UFe2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32465100 _cell_length_b 4.32465100 _cell_length_c 4.32465100 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural UFe2Pd _chemical_formula_sum 'U1 Fe2 Pd1' _cell_volume 57.19238372 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.52899502 1.52899502 1.52899502 1 Fe Fe1 1 4.58698507 4.58698507 4.58698507 1 Pd Pd2 1 -0.00000000 -0.00000000 0.00000000 1 U U3 1 3.05799005 3.05799005 3.05799005 1 [/CIF]
Fe2PdU
Fm-3m
225
cubic
m-3m
13,243.659916
false
[CIF] data_TiBiW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.35821378 _cell_length_b 9.35821378 _cell_length_c 9.35821378 _cell_angle_alpha 19.03557338 _cell_angle_beta 19.03557338 _cell_angle_gamma 19.03557338 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiBiW2 _chemical_formula_sum 'Ti1 Bi1 W2' _cell_volume 76.19624354 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 13.77907409 1 Ti Ti1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 -0.00000000 -0.00000000 20.45497266 1 W W3 1 0.00000000 0.00000000 7.10317553 1 [/CIF]
BiTiW2
R-3m
166
trigonal
-3m
13,610.279152
false
[CIF] data_K2CdSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59974909 _cell_length_b 5.29946354 _cell_length_c 7.33097261 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2CdSb _chemical_formula_sum 'K2 Cd1 Sb1' _cell_volume 139.85105154 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 K K1 1 1.79987455 2.64973177 1.98658992 1 K K2 1 1.79987455 2.64973177 5.34438269 1 Sb Sb3 1 0.00000000 0.00000000 3.66548630 1 [/CIF]
CdK2Sb
Pmmm
47
orthorhombic
mmm
3,708.938079
false
[CIF] data_VFeOsRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25522239 _cell_length_b 4.25522239 _cell_length_c 4.25522239 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VFeOsRh _chemical_formula_sum 'V1 Fe1 Os1 Rh1' _cell_volume 54.48184304 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.51334492 4.51334492 4.51334491 1 Os Os1 1 1.50444831 1.50444831 1.50444831 1 Rh Rh2 1 3.00889661 3.00889661 3.00889661 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
FeOsRhV
F-43m
216
cubic
-43m
12,189.12701
false
[CIF] data_Lu2BAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77160323 _cell_length_b 4.77160323 _cell_length_c 4.77160323 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu2BAu _chemical_formula_sum 'Lu2 B1 Au1' _cell_volume 76.82064928 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.37403300 3.37403300 3.37403300 1 B B1 1 0.00000000 0.00000000 0.00000000 1 Lu Lu2 1 1.68701650 1.68701650 1.68701650 1 Lu Lu3 1 5.06104950 5.06104950 5.06104950 1 [/CIF]
AuBLu2
Fm-3m
225
cubic
m-3m
12,055.36783
false
[CIF] data_NbAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27643871 _cell_length_b 4.27643871 _cell_length_c 3.32633161 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbAs2 _chemical_formula_sum 'Nb1 As2' _cell_volume 60.83171312 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.13821935 1.66316581 1 As As1 1 2.13821935 0.00000000 1.66316581 1 Nb Nb2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As2Nb
P4/mmm
123
tetragonal
4/mmm
6,626.398309
false
[CIF] data_SrZnW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.04543279 _cell_length_b 3.04543279 _cell_length_c 7.74744655 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrZnW _chemical_formula_sum 'Sr1 Zn1 W1' _cell_volume 62.22820277 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000002 1.75828145 0.04113484 1 W W1 1 1.52271638 0.87914073 2.77498482 1 Zn Zn2 1 0.00000000 0.00000000 4.93132689 1 [/CIF]
SrWZn
P3m1
156
trigonal
3m
8,988.464314
false
[CIF] data_AlAgRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.97661523 _cell_length_b 2.97661523 _cell_length_c 6.70603255 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlAgRu2 _chemical_formula_sum 'Al1 Ag1 Ru2' _cell_volume 59.41704595 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.35301627 1 Al Al1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 1.48830762 1.48830762 1.43379509 1 Ru Ru3 1 1.48830762 1.48830762 5.27223746 1 [/CIF]
AgAlRu2
P4/mmm
123
tetragonal
4/mmm
9,417.91395
false
[CIF] data_LiAlPtAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43913190 _cell_length_b 4.43913190 _cell_length_c 4.43913190 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiAlPtAu _chemical_formula_sum 'Li1 Al1 Pt1 Au1' _cell_volume 61.85561807 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 4.70841040 4.70841040 4.70841041 1 Au Au1 1 1.56947013 1.56947013 1.56947014 1 Li Li2 1 -0.00000000 -0.00000000 0.00000000 1 Pt Pt3 1 3.13894027 3.13894027 3.13894027 1 [/CIF]
AlAuLiPt
F-43m
216
cubic
-43m
11,435.420234
false
[CIF] data_Ta2CoTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.41145888 _cell_length_b 3.62538230 _cell_length_c 5.94092704 _cell_angle_alpha 90.00000000 _cell_angle_beta 105.44440159 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2CoTe _chemical_formula_sum 'Ta2 Co1 Te1' _cell_volume 70.82316631 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.01246333 0.00000000 4.53977547 1 Ta Ta1 1 1.61376282 1.81269115 5.53288466 1 Ta Ta2 1 1.48478634 0.00000000 1.41451530 1 Te Te3 1 -0.21838728 1.81269115 2.82881489 1 [/CIF]
CoTa2Te
Pm
6
monoclinic
m
12,858.613254
false
[CIF] data_LaVAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.80249870 _cell_length_b 6.80249870 _cell_length_c 6.80249870 _cell_angle_alpha 33.54497867 _cell_angle_beta 33.54497867 _cell_angle_gamma 33.54497867 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaVAs2 _chemical_formula_sum 'La1 V1 As2' _cell_volume 85.61459976 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 14.08950326 1 As As1 1 -0.00000000 -0.00000000 5.15172678 1 La La2 1 -0.00000000 0.00000000 9.62061502 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As2LaV
R-3m
166
trigonal
-3m
6,588.465043
false
[CIF] data_Y2IrOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82389002 _cell_length_b 4.82389002 _cell_length_c 3.44428949 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2IrOs _chemical_formula_sum 'Y2 Ir1 Os1' _cell_volume 80.14832329 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.41194501 2.41194501 0.00000000 1 Os Os1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 0.00000000 2.41194501 1.72214474 1 Y Y3 1 2.41194501 0.00000000 1.72214474 1 [/CIF]
IrOsY2
P4/mmm
123
tetragonal
4/mmm
11,607.622425
false
[CIF] data_ScInBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.18798143 _cell_length_b 4.18798143 _cell_length_c 6.55673801 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScInBi2 _chemical_formula_sum 'Sc1 In1 Bi2' _cell_volume 114.99986363 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.09399072 2.09399072 6.05348358 1 Bi Bi1 1 0.00000000 0.00000000 2.02616751 1 In In2 1 2.09399072 2.09399072 3.08848751 1 Sc Sc3 1 0.00000000 0.00000000 5.22370649 1 [/CIF]
Bi2InSc
P4mm
99
tetragonal
4mm
8,343.265309
false
[CIF] data_Sr2YGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27686043 _cell_length_b 4.27686043 _cell_length_c 8.49272576 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2YGa _chemical_formula_sum 'Sr2 Y1 Ga1' _cell_volume 155.34499165 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sr Sr1 1 2.13843022 2.13843022 2.09386098 1 Sr Sr2 1 2.13843022 2.13843022 6.39886478 1 Y Y3 1 0.00000000 0.00000000 4.24636288 1 [/CIF]
GaSr2Y
P4/mmm
123
tetragonal
4/mmm
3,568.845462
false