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_MnBeO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.65673700 _cell_length_b 3.65673700 _cell_length_c 3.65673700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnBeO3 _chemical_formula_sum 'Mn1 Be1 O3' _cell_volume 48.89688334 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Mn Mn1 1 1.82836850 1.82836850 1.82836850 1 O O2 1 1.82836850 1.82836850 0.00000000 1 O O3 1 1.82836850 0.00000000 1.82836850 1 O O4 1 0.00000000 1.82836850 1.82836850 1 [/CIF]
BeMnO3
Pm-3m
221
cubic
m-3m
3,801.77066
false
[CIF] data_Hf2SbRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19755980 _cell_length_b 5.19755980 _cell_length_c 5.19755980 _cell_angle_alpha 134.39045967 _cell_angle_beta 127.77241189 _cell_angle_gamma 71.81592401 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2SbRh _chemical_formula_sum 'Hf2 Sb1 Rh1' _cell_volume 77.60742988 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.28773380 2.20659096 1 Hf Hf1 1 2.01453434 -0.00000000 2.00322535 1 Rh Rh2 1 0.00000000 0.00000000 0.00000000 1 Sb Sb3 1 -0.00000000 0.00000000 4.20981631 1 [/CIF]
Hf2RhSb
Immm
71
orthorhombic
mmm
12,445.265577
false
[CIF] data_LiTm2Tl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20515161 _cell_length_b 5.20515161 _cell_length_c 5.20515161 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTm2Tl _chemical_formula_sum 'Li1 Tm2 Tl1' _cell_volume 99.72066203 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Tl Tl1 1 3.68059800 3.68059800 3.68059800 1 Tm Tm2 1 1.84029900 1.84029900 1.84029900 1 Tm Tm3 1 5.52089700 5.52089700 5.52089700 1 [/CIF]
LiTlTm2
Fm-3m
225
cubic
m-3m
9,145.105419
false
[CIF] data_KYTi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40118451 _cell_length_b 5.40118451 _cell_length_c 5.40118451 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KYTi2 _chemical_formula_sum 'K1 Y1 Ti2' _cell_volume 111.41714903 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ti Ti1 1 5.72882128 5.72882128 5.72882128 1 Ti Ti2 1 1.90960709 1.90960709 1.90960709 1 Y Y3 1 3.81921419 3.81921419 3.81921419 1 [/CIF]
KTi2Y
Fm-3m
225
cubic
m-3m
3,334.548963
false
[CIF] data_VCrSnMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44675218 _cell_length_b 4.44675218 _cell_length_c 4.44675218 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VCrSnMo _chemical_formula_sum 'V1 Cr1 Sn1 Mo1' _cell_volume 62.17471217 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy V V0 1 0.00000000 0.00000000 0.00000000 1 Cr Cr1 1 3.14432862 3.14432862 3.14432862 1 Mo Mo2 1 1.57216431 1.57216431 1.57216431 1 Sn Sn3 1 4.71649294 4.71649294 4.71649294 1 [/CIF]
CrMoSnV
F-43m
216
cubic
-43m
8,482.545543
false
[CIF] data_CrFeCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37860752 _cell_length_b 4.37860752 _cell_length_c 4.37860752 _cell_angle_alpha 147.47714188 _cell_angle_beta 129.05816713 _cell_angle_gamma 61.75218624 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrFeCu _chemical_formula_sum 'Cr1 Fe1 Cu1' _cell_volume 34.70629901 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00708215 1 Cu Cu1 1 0.00000000 0.00000000 5.01278691 1 Fe Fe2 1 -0.00000000 0.00000000 2.49626565 1 [/CIF]
CrCuFe
Imm2
44
orthorhombic
mm2
8,200.095752
false
[CIF] data_TiAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.86970812 _cell_length_b 3.86970812 _cell_length_c 6.10218654 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiAu _chemical_formula_sum 'Ti2 Au2' _cell_volume 79.13571456 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 0.00000000 0.00000000 3.05109327 1 Au Au1 1 0.00000000 0.00000000 0.00000000 1 Ti Ti2 1 1.93485406 1.11708851 4.57663991 1 Ti Ti3 1 0.00000000 2.23417702 1.52554664 1 [/CIF]
Au2Ti2
P6_3/mmc
194
hexagonal
6/mmm
10,274.898221
false
[CIF] data_Sn(TeW)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.84489275 _cell_length_b 5.84489275 _cell_length_c 5.84489275 _cell_angle_alpha 127.43648961 _cell_angle_beta 127.43648961 _cell_angle_gamma 77.53968766 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sn(TeW)2 _chemical_formula_sum 'Sn1 Te2 W2' _cell_volume 122.09175005 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sn Sn0 1 0.00000000 0.00000000 0.00000000 1 Te Te1 1 -0.00000000 2.58803492 2.27853691 1 Te Te2 1 2.58803492 -0.00000000 2.27853691 1 W W3 1 0.00000000 0.00000000 5.72479163 1 W W4 1 -0.00000000 0.00000000 3.38935601 1 [/CIF]
SnTe2W2
I4/mmm
139
tetragonal
4/mmm
10,086.178352
false
[CIF] data_Cu4Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79252282 _cell_length_b 4.79252282 _cell_length_c 4.79252282 _cell_angle_alpha 50.47880364 _cell_angle_beta 50.47880364 _cell_angle_gamma 50.47880364 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu4Ag _chemical_formula_sum 'Cu4 Ag1' _cell_volume 60.34392250 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 0.00000000 1 Cu Cu1 1 0.00000000 -0.00000000 2.50281342 1 Cu Cu2 1 0.00000000 0.00000000 5.00562683 1 Cu Cu3 1 -0.00000000 0.00000000 7.50844025 1 Cu Cu4 1 -0.00000000 0.00000000 10.01125367 1 [/CIF]
AgCu4
R-3m
166
trigonal
-3m
9,962.922484
false
[CIF] data_InOsRuPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74550967 _cell_length_b 4.74550967 _cell_length_c 4.74550967 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InOsRuPb _chemical_formula_sum 'In1 Os1 Ru1 Pb1' _cell_volume 75.56724534 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 3.35558207 3.35558207 3.35558207 1 Os Os1 1 1.67779103 1.67779103 1.67779104 1 Pb Pb2 1 5.03337310 5.03337310 5.03337310 1 Ru Ru3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InOsPbRu
F-43m
216
cubic
-43m
13,477.247909
false
[CIF] data_BaLaPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.77736928 _cell_length_b 3.77736928 _cell_length_c 7.69957932 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLaPd2 _chemical_formula_sum 'Ba1 La1 Pd2' _cell_volume 109.86159134 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 0.00000000 0.00000000 3.84978966 1 Pd Pd2 1 1.88868464 1.88868464 5.40588565 1 Pd Pd3 1 1.88868464 1.88868464 2.29369367 1 [/CIF]
BaLaPd2
P4/mmm
123
tetragonal
4/mmm
7,392.246307
false
[CIF] data_CdNi2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.69277376 _cell_length_b 4.26226417 _cell_length_c 5.12007354 _cell_angle_alpha 90.00000000 _cell_angle_beta 104.27636284 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdNi2W _chemical_formula_sum 'Cd1 Ni2 W1' _cell_volume 56.94988967 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.40515001 0.00000000 3.96362080 1 Ni Ni1 1 0.95058253 2.13113208 4.89167573 1 Ni Ni2 1 2.17780656 0.00000000 1.36365512 1 W W3 1 0.85217987 2.13113208 2.18593113 1 [/CIF]
CdNi2W
Pm
6
monoclinic
m
12,060.808727
false
[CIF] data_CrFeHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33842228 _cell_length_b 4.33842228 _cell_length_c 2.84393020 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrFeHg _chemical_formula_sum 'Cr1 Fe1 Hg1' _cell_volume 46.35677436 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.37231898 1 Fe Fe1 1 0.00000000 2.50478927 0.58402043 1 Hg Hg2 1 2.16921114 1.25239464 1.88759079 1 [/CIF]
CrFeHg
P3m1
156
trigonal
3m
11,048.264212
false
[CIF] data_ZrSiAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.91820277 _cell_length_b 3.91820277 _cell_length_c 4.75882015 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSiAg2 _chemical_formula_sum 'Zr1 Si1 Ag2' _cell_volume 73.05889620 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.95910139 0.00000000 2.37941008 1 Ag Ag1 1 0.00000000 1.95910139 2.37941008 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 1.95910139 1.95910139 0.00000000 1 [/CIF]
Ag2SiZr
P4/mmm
123
tetragonal
4/mmm
7,615.182202
false
[CIF] data_Cd2WBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.75247989 _cell_length_b 5.75247989 _cell_length_c 5.75247989 _cell_angle_alpha 137.99786270 _cell_angle_beta 137.99786270 _cell_angle_gamma 60.90627196 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2WBr _chemical_formula_sum 'Cd2 W1 Br1' _cell_volume 84.30537821 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.00000000 0.00000000 0.00000000 1 Cd Cd1 1 2.06160459 -0.00000000 2.47944540 1 Cd Cd2 1 -0.00000000 2.06160459 2.47944540 1 W W3 1 0.00000000 -0.00000000 4.95889080 1 [/CIF]
BrCd2W
I4/mmm
139
tetragonal
4/mmm
9,623.145603
false
[CIF] data_BaTcNiPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86965101 _cell_length_b 4.86965101 _cell_length_c 4.86965101 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTcNiPt _chemical_formula_sum 'Ba1 Tc1 Ni1 Pt1' _cell_volume 81.65419768 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.72168162 1.72168163 1.72168162 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 3.44336325 3.44336325 3.44336325 1 Tc Tc3 1 5.16504488 5.16504488 5.16504488 1 [/CIF]
BaNiPtTc
F-43m
216
cubic
-43m
9,964.971398
false
[CIF] data_Mg4Si7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.02022445 _cell_length_b 7.12831606 _cell_length_c 14.45082807 _cell_angle_alpha 94.92208460 _cell_angle_beta 97.54035147 _cell_angle_gamma 90.12110144 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg4Si7 _chemical_formula_sum 'Mg8 Si14' _cell_volume 408.99109552 _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 -1.69045371 -0.65348518 13.11730430 1 Mg Mg1 1 2.31423396 1.59861460 7.29590993 1 Mg Mg2 1 0.26407603 0.43785096 5.14689665 1 Mg Mg3 1 0.33198260 2.85789605 9.34476399 1 Mg Mg4 1 2.31723873 2.97430778 11.86384404 1 Mg Mg5 1 0.22711602 3.94334104 3.06538880 1 Mg Mg6 1 0.34049451 3.84479320 6.07434706 1 Mg Mg7 1 0.29951519 -0.60823608 8.28952423 1 Si Si8 1 0.29819051 1.77270572 13.63571176 1 Si Si9 1 0.29867592 4.21789510 13.71507702 1 Si Si10 1 0.19547582 5.64309264 0.79108373 1 Si Si11 1 0.18699092 2.73416470 0.65127756 1 Si Si12 1 2.36241138 4.28505213 8.01175294 1 Si Si13 1 2.26771917 6.06734592 6.41589886 1 Si Si14 1 2.21428437 0.69897697 3.13617674 1 Si Si15 1 0.30647860 5.11423740 11.45017704 1 Si Si16 1 2.32216936 0.80720305 10.01772035 1 Si Si17 1 0.18704647 0.67004043 1.79697174 1 Si Si18 1 2.36441516 2.52822724 4.65910212 1 Si Si19 1 0.30859536 0.63690541 11.51188814 1 Si Si20 1 2.32733229 5.44600153 10.08355599 1 Si Si21 1 2.19088985 5.54720246 4.10208955 1 [/CIF]
Mg8Si14
P1
1
triclinic
1
2,385.856822
false
[CIF] data_TlZn4W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18637655 _cell_length_b 5.18637655 _cell_length_c 5.18637655 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlZn4W _chemical_formula_sum 'Tl1 Zn4 W1' _cell_volume 98.64546802 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.50098304 5.50098304 5.50098304 1 W W1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 4.59641543 4.59641543 2.73822863 1 Zn Zn3 1 4.59641543 2.73822863 4.59641543 1 Zn Zn4 1 2.73822863 4.59641543 4.59641543 1 Zn Zn5 1 2.73822863 2.73822863 2.73822863 1 [/CIF]
TlWZn4
F-43m
216
cubic
-43m
10,937.391799
false
[CIF] data_HgB2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.10778905 _cell_length_b 3.16368174 _cell_length_c 5.35999948 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgB2Ru _chemical_formula_sum 'Hg1 B2 Ru1' _cell_volume 52.69981220 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 B B1 1 0.00000000 1.58184087 2.67999974 1 Hg Hg2 1 1.55389453 1.58184087 0.00000000 1 Ru Ru3 1 1.55389453 0.00000000 2.67999974 1 [/CIF]
B2HgRu
Pmmm
47
orthorhombic
mmm
10,186.419421
false
[CIF] data_SrHfScRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04807720 _cell_length_b 5.04807720 _cell_length_c 5.04807720 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrHfScRh _chemical_formula_sum 'Sr1 Hf1 Sc1 Rh1' _cell_volume 90.96262106 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.35429443 5.35429443 5.35429443 1 Rh Rh1 1 3.56952962 3.56952962 3.56952962 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Sr Sr3 1 1.78476481 1.78476481 1.78476481 1 [/CIF]
HfRhScSr
F-43m
216
cubic
-43m
7,557.122849
false
[CIF] data_TiSe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.01423523 _cell_length_b 3.01423523 _cell_length_c 11.01163733 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.27287708 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiSe3 _chemical_formula_sum 'Ti1 Se3' _cell_volume 100.02279848 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.10757984 0.00000000 9.37278206 1 Se Se1 1 0.00000000 0.00000000 5.50581867 1 Se Se2 1 2.10757984 0.00000000 1.63885527 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Se3Ti
Cmmm
65
orthorhombic
mmm
4,727.257433
false
[CIF] data_CaLaBiPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27685094 _cell_length_b 5.27685094 _cell_length_c 5.27685094 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaLaBiPt _chemical_formula_sum 'Ca1 La1 Bi1 Pt1' _cell_volume 103.89854852 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.86564854 1.86564854 1.86564854 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 La La2 1 5.59694562 5.59694562 5.59694562 1 Pt Pt3 1 3.73129708 3.73129708 3.73129708 1 [/CIF]
BiCaLaPt
F-43m
216
cubic
-43m
9,318.453237
false
[CIF] data_CoSn2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99300491 _cell_length_b 4.99300491 _cell_length_c 4.99300491 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoSn2Hg _chemical_formula_sum 'Co1 Sn2 Hg1' _cell_volume 88.01789571 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.29588145 5.29588145 5.29588145 1 Sn Sn2 1 3.53058763 3.53058763 3.53058763 1 Sn Sn3 1 1.76529382 1.76529382 1.76529381 1 [/CIF]
CoHgSn2
F-43m
216
cubic
-43m
9,375.293315
false
[CIF] data_Cd3Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.95403273 _cell_length_b 5.95403273 _cell_length_c 9.57784784 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd3Ni _chemical_formula_sum 'Cd12 Ni4' _cell_volume 294.04987604 _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 Cd Cd0 1 -1.48850818 2.57817180 0.00000000 1 Cd Cd1 1 -1.48850818 2.57817180 4.78892392 1 Cd Cd2 1 -0.00000000 1.65266433 7.18338588 1 Cd Cd3 1 -1.54576707 4.33001144 7.18338588 1 Cd Cd4 1 1.43124929 0.82633216 2.39446196 1 Cd Cd5 1 2.97701637 0.00000000 0.00000000 1 Cd Cd6 1 2.97701637 0.00000000 4.78892392 1 Cd Cd7 1 1.48850818 2.57817180 0.00000000 1 Cd Cd8 1 1.48850818 2.57817180 4.78892392 1 Cd Cd9 1 1.54576707 4.33001144 7.18338588 1 Cd Cd10 1 4.52278344 0.82633216 2.39446196 1 Cd Cd11 1 2.97701637 3.50367927 2.39446196 1 Ni Ni12 1 0.00000000 0.00000000 0.00000000 1 Ni Ni13 1 0.00000000 0.00000000 4.78892392 1 Ni Ni14 1 0.00000000 3.43756240 2.39446196 1 Ni Ni15 1 2.97701637 1.71878120 7.18338588 1 [/CIF]
Cd12Ni4
P6_3/mmc
194
hexagonal
6/mmm
8,943.397617
false
[CIF] data_Li2FeW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.57895035 _cell_length_b 4.75244581 _cell_length_c 4.40768581 _cell_angle_alpha 90.00000000 _cell_angle_beta 93.06544840 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2FeW _chemical_formula_sum 'Li2 Fe1 W1' _cell_volume 53.94471549 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Li Li1 1 0.36116208 2.37622291 3.33681048 1 Li Li2 1 1.98208002 2.37622291 1.06456837 1 W W3 1 1.17162105 0.00000000 2.20068943 1 [/CIF]
FeLi2W
P2/m
10
monoclinic
2/m
7,805.359722
false
[CIF] data_RbSr2Mg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.41357023 _cell_length_b 6.41357023 _cell_length_c 6.41357023 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbSr2Mg _chemical_formula_sum 'Rb1 Sr2 Mg1' _cell_volume 186.54540931 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rb Rb1 1 4.53507900 4.53507900 4.53507900 1 Sr Sr2 1 6.80261850 6.80261850 6.80261850 1 Sr Sr3 1 2.26753950 2.26753950 2.26753950 1 [/CIF]
MgRbSr2
Fm-3m
225
cubic
m-3m
2,537.04924
false
[CIF] data_La2TcAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61003428 _cell_length_b 3.61003428 _cell_length_c 7.62546933 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2TcAu _chemical_formula_sum 'La2 Tc1 Au1' _cell_volume 99.37776618 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.81273467 1 La La1 1 1.80501714 1.80501714 5.88424404 1 La La2 1 1.80501714 1.80501714 1.74122529 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuLa2Tc
P4/mmm
123
tetragonal
4/mmm
9,585.888748
false
[CIF] data_MgNbCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.83039918 _cell_length_b 2.83039918 _cell_length_c 7.69812726 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgNbCu2 _chemical_formula_sum 'Mg1 Nb1 Cu2' _cell_volume 61.67092547 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.20847907 1 Cu Cu1 1 1.41519959 1.41519959 1.72661643 1 Mg Mg2 1 0.00000000 0.00000000 3.61628512 1 Nb Nb3 1 1.41519959 1.41519959 5.99581028 1 [/CIF]
Cu2MgNb
P4mm
99
tetragonal
4mm
6,578.064193
false
[CIF] data_NaFeSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39855369 _cell_length_b 4.39855369 _cell_length_c 4.39855369 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaFeSe _chemical_formula_sum 'Na1 Fe1 Se1' _cell_volume 60.17480532 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.11024714 3.11024714 3.11024714 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Se Se2 1 1.55512357 1.55512357 1.55512357 1 [/CIF]
FeNaSe
F-43m
216
cubic
-43m
4,354.386815
false
[CIF] data_LaHf2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.84039586 _cell_length_b 7.84039586 _cell_length_c 7.84039586 _cell_angle_alpha 156.04467384 _cell_angle_beta 156.04467384 _cell_angle_gamma 34.13429300 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaHf2 _chemical_formula_sum 'La1 Hf2' _cell_volume 79.37386878 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.75617204 1 Hf Hf1 1 -0.00000000 -0.00000000 10.23406052 1 La La2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hf2La
I4/mmm
139
tetragonal
4/mmm
10,374.15976
false
[CIF] data_BeAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.04544156 _cell_length_b 3.04544156 _cell_length_c 3.04544156 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeAs _chemical_formula_sum 'Be1 As1' _cell_volume 28.24560037 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 1.52272078 1.52272078 1.52272078 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsBe
Pm-3m
221
cubic
m-3m
4,934.408268
false
[CIF] data_Pm3O2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.76870462 _cell_length_b 6.76870462 _cell_length_c 6.76870462 _cell_angle_alpha 54.97019511 _cell_angle_beta 54.97019511 _cell_angle_gamma 54.97019511 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pm3O2 _chemical_formula_sum 'Pm6 O4' _cell_volume 193.61607003 _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 O O0 1 0.00000000 0.00000000 14.35909211 1 O O1 1 -0.00000000 -0.00000000 11.41450811 1 O O2 1 -0.00000000 0.00000000 5.76789204 1 O O3 1 0.00000000 0.00000000 2.82330804 1 Pm Pm4 1 -2.09392551 0.01964146 10.02306675 1 Pm Pm5 1 1.02995275 -1.82321342 10.02306675 1 Pm Pm6 1 1.06397276 1.80357196 10.02306675 1 Pm Pm7 1 -1.06397276 -1.80357196 7.15933340 1 Pm Pm8 1 -1.02995275 1.82321342 7.15933340 1 Pm Pm9 1 2.09392551 -0.01964146 7.15933340 1 [/CIF]
O4Pm6
R-3c
167
trigonal
-3m
8,010.386239
false
[CIF] data_Ir2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.70222555 _cell_length_b 7.70222555 _cell_length_c 6.56536659 _cell_angle_alpha 112.56920701 _cell_angle_beta 112.56920701 _cell_angle_gamma 20.81138950 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ir2Br _chemical_formula_sum 'Ir4 Br2' _cell_volume 127.41097192 _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 Br Br0 1 -1.72857698 0.00000000 4.60528167 1 Br Br1 1 14.31776287 -0.00000000 1.43960241 1 Ir Ir2 1 7.87564525 0.00000000 5.45478585 1 Ir Ir3 1 2.08420078 -0.00000000 3.99561594 1 Ir Ir4 1 10.50498511 -0.00000000 2.04926814 1 Ir Ir5 1 4.71354065 -0.00000000 0.59009823 1 [/CIF]
Br2Ir4
C2/m
12
monoclinic
2/m
12,103.375046
false
[CIF] data_Sc6Te2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.69192769 _cell_length_b 7.69192769 _cell_length_c 3.85189324 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc6Te2Os _chemical_formula_sum 'Sc6 Te2 Os1' _cell_volume 197.36732694 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 1 Sc Sc1 1 1.84377014 0.00000000 1.92594662 1 Sc Sc2 1 -0.92188507 1.59675178 1.92594662 1 Sc Sc3 1 2.92407877 5.06465300 1.92594662 1 Sc Sc4 1 4.71793469 0.00000000 0.00000000 1 Sc Sc5 1 1.48699650 2.57555349 0.00000000 1 Sc Sc6 1 -2.35896735 4.08585130 0.00000000 1 Te Te7 1 3.84596385 2.22046826 1.92594662 1 Te Te8 1 0.00000000 4.44093652 1.92594662 1 [/CIF]
OsSc6Te2
P-62m
189
hexagonal
-6m2
6,017.267279
false
[CIF] data_MgZr4Al _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.77968505 _cell_length_b 5.77968505 _cell_length_c 5.77968505 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgZr4Al _chemical_formula_sum 'Mg1 Zr4 Al1' _cell_volume 136.52039031 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.13028174 6.13028174 6.13028174 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 5.10789258 5.10789258 3.06581640 1 Zr Zr3 1 5.10789258 3.06581640 5.10789258 1 Zr Zr4 1 3.06581640 5.10789258 5.10789258 1 Zr Zr5 1 3.06581640 3.06581640 3.06581640 1 [/CIF]
AlMgZr4
F-43m
216
cubic
-43m
5,062.154911
false
[CIF] data_LaBeIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.55200893 _cell_length_b 4.35775165 _cell_length_c 6.52001599 _cell_angle_alpha 90.00000000 _cell_angle_beta 101.24982628 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaBeIn2 _chemical_formula_sum 'La1 Be1 In2' _cell_volume 98.98272061 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 2.80996691 2.17887582 1.27683093 1 In In2 1 -0.52993061 2.17887582 5.11790863 1 La La3 1 1.14001815 0.00000000 3.19736978 1 [/CIF]
BeIn2La
P2/m
10
monoclinic
2/m
6,333.85893
false
[CIF] data_TaSiMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31460409 _cell_length_b 4.31460409 _cell_length_c 3.34066283 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.38698186 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaSiMo2 _chemical_formula_sum 'Ta1 Si1 Mo2' _cell_volume 62.17091883 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.50686812 -1.54379422 1.67033142 1 Mo Mo1 1 1.50686812 1.54379422 1.67033142 1 Si Si2 1 -0.00000000 -0.00000000 0.00000000 1 Ta Ta3 1 3.01373623 -0.00000000 0.00000000 1 [/CIF]
Mo2SiTa
Cmmm
65
orthorhombic
mmm
10,709.166985
false
[CIF] data_LiPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39607126 _cell_length_b 4.39607126 _cell_length_c 4.39607126 _cell_angle_alpha 58.47316766 _cell_angle_beta 58.47316766 _cell_angle_gamma 58.47316766 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiPd _chemical_formula_sum 'Li2 Pd2' _cell_volume 57.97445906 _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 Li Li0 1 -0.00000000 -0.00000000 6.80083730 1 Li Li1 1 -0.00000000 0.00000000 4.08987972 1 Pd Pd2 1 -0.00000000 -0.00000000 9.55767540 1 Pd Pd3 1 0.00000000 -0.00000000 1.33304162 1 [/CIF]
Li2Pd2
R-3m
166
trigonal
-3m
6,493.906873
false
[CIF] data_CuWSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.56056556 _cell_length_b 5.56056556 _cell_length_c 5.56056556 _cell_angle_alpha 147.98070797 _cell_angle_beta 147.98070797 _cell_angle_gamma 45.91384573 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuWSe _chemical_formula_sum 'Cu1 W1 Se1' _cell_volume 48.16897249 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.11400128 1 Se Se1 1 0.00000000 -0.00000000 3.21129050 1 W W2 1 0.00000000 0.00000000 6.91502752 1 [/CIF]
CuSeW
I4mm
107
tetragonal
4mm
11,250.193936
false
[CIF] data_ZrZnCuAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55632407 _cell_length_b 4.55632407 _cell_length_c 4.55632407 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrZnCuAg _chemical_formula_sum 'Zr1 Zn1 Cu1 Ag1' _cell_volume 66.88501377 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 3.22180765 3.22180765 3.22180765 1 Cu Cu1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 4.83271147 4.83271148 4.83271148 1 Zr Zr3 1 1.61090383 1.61090383 1.61090383 1 [/CIF]
AgCuZnZr
F-43m
216
cubic
-43m
8,143.633453
false
[CIF] data_LaNbCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75556153 _cell_length_b 4.75556153 _cell_length_c 3.67764457 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaNbCl2 _chemical_formula_sum 'La1 Nb1 Cl2' _cell_volume 83.17127600 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.37778077 1.83882229 1 Cl Cl1 1 2.37778077 0.00000000 1.83882229 1 La La2 1 2.37778077 2.37778077 0.00000000 1 Nb Nb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cl2LaNb
P4/mmm
123
tetragonal
4/mmm
6,043.851198
false
[CIF] data_NaLi2N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.77018625 _cell_length_b 3.77018625 _cell_length_c 3.77018625 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLi2N _chemical_formula_sum 'Na1 Li2 N1' _cell_volume 37.89425900 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.99888640 3.99888640 3.99888640 1 Li Li1 1 1.33296213 1.33296213 1.33296213 1 N N2 1 -0.00000000 0.00000000 0.00000000 1 Na Na3 1 2.66592427 2.66592427 2.66592427 1 [/CIF]
Li2NNa
Fm-3m
225
cubic
m-3m
2,229.548933
false
[CIF] data_NaCoNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.15130745 _cell_length_b 4.15130745 _cell_length_c 4.15130745 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCoNi2 _chemical_formula_sum 'Na1 Co1 Ni2' _cell_volume 50.58709021 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 2.93541765 2.93541765 2.93541765 1 Na Na1 1 -0.00000000 -0.00000000 -0.00000000 1 Ni Ni2 1 1.46770883 1.46770883 1.46770883 1 Ni Ni3 1 4.40312648 4.40312648 4.40312648 1 [/CIF]
CoNaNi2
Fm-3m
225
cubic
m-3m
6,542.413264
false
[CIF] data_CdInCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57460560 _cell_length_b 4.57460560 _cell_length_c 4.57460560 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdInCu _chemical_formula_sum 'Cd1 In1 Cu1' _cell_volume 67.69334480 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.85210196 4.85210196 4.85210196 1 Cu Cu1 1 0.00000000 0.00000000 0.00000000 1 In In2 1 3.23473464 3.23473464 3.23473464 1 [/CIF]
CdCuIn
F-43m
216
cubic
-43m
7,132.802323
false
[CIF] data_Y2TaAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42326722 _cell_length_b 5.42326722 _cell_length_c 3.19863850 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 104.84779330 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2TaAs _chemical_formula_sum 'Y2 Ta1 As1' _cell_volume 90.93654275 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ta Ta1 1 3.30718789 0.00000000 0.00000000 1 Y Y2 1 1.65359395 -2.14908908 1.59931925 1 Y Y3 1 1.65359395 2.14908909 1.59931925 1 [/CIF]
AsTaY2
Cmmm
65
orthorhombic
mmm
7,919.198598
false
[CIF] data_TlAgOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49644760 _cell_length_b 4.49644760 _cell_length_c 4.49644760 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlAgOs _chemical_formula_sum 'Tl1 Ag1 Os1' _cell_volume 64.28262640 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 1.58973430 1.58973429 1.58973430 1 Tl Tl2 1 4.76920288 4.76920289 4.76920289 1 [/CIF]
AgOsTl
F-43m
216
cubic
-43m
12,980.025983
false
[CIF] data_SrMnAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03738900 _cell_length_b 5.03738900 _cell_length_c 5.03738900 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrMnAs _chemical_formula_sum 'Sr1 Mn1 As1' _cell_volume 90.38606302 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.56197192 3.56197192 3.56197192 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 5.34295788 5.34295788 5.34295788 1 [/CIF]
AsMnSr
F-43m
216
cubic
-43m
3,995.454992
false
[CIF] data_KInPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38080400 _cell_length_b 5.38080400 _cell_length_c 5.38080400 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KInPb _chemical_formula_sum 'K1 In1 Pb1' _cell_volume 110.16065811 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 3.80480300 3.80480300 3.80480300 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Pb Pb2 1 1.90240150 1.90240150 1.90240150 1 [/CIF]
InKPb
F-43m
216
cubic
-43m
5,443.392714
false
[CIF] data_PmHf _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67562853 _cell_length_b 4.67562853 _cell_length_c 4.67562853 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PmHf _chemical_formula_sum 'Pm1 Hf1' _cell_volume 72.27781284 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.65308432 1.65308432 1.65308432 1 Pm Pm1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfPm
F-43m
216
cubic
-43m
7,431.987239
false
[CIF] data_LuCuSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.09205095 _cell_length_b 4.09205095 _cell_length_c 7.06864400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LuCuSi _chemical_formula_sum 'Lu2 Cu2 Si2' _cell_volume 102.50588684 _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 2.36254672 5.30148300 1 Cu Cu1 1 2.04602548 1.18127336 1.76716100 1 Lu Lu2 1 0.00000000 0.00000000 3.53432200 1 Lu Lu3 1 0.00000000 0.00000000 0.00000000 1 Si Si4 1 -0.00000000 2.36254672 1.76716100 1 Si Si5 1 2.04602548 1.18127336 5.30148300 1 [/CIF]
Cu2Lu2Si2
P6_3/mmc
194
hexagonal
6/mmm
8,636.808589
false
[CIF] data_GeBP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23362260 _cell_length_b 4.23362260 _cell_length_c 3.54516809 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 112.87815386 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeBP2 _chemical_formula_sum 'Ge1 B1 P2' _cell_volume 58.54341773 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 0.00000000 1 Ge Ge1 1 2.34044543 0.00000000 0.00000000 1 P P2 1 1.17022272 -1.76393562 1.77258405 1 P P3 1 1.17022272 1.76393562 1.77258405 1 [/CIF]
BGeP2
Cmmm
65
orthorhombic
mmm
4,124.117428
false
[CIF] data_Ta2NbOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.39099924 _cell_length_b 5.39099924 _cell_length_c 5.39099924 _cell_angle_alpha 145.18525862 _cell_angle_beta 129.43458909 _cell_angle_gamma 62.85787815 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2NbOs _chemical_formula_sum 'Ta2 Nb1 Os1' _cell_volume 68.32602338 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 0.00000000 0.00000000 0.00000000 1 Os Os1 1 0.00000000 0.00000000 4.60007246 1 Ta Ta2 1 1.61279045 0.00000000 2.34053922 1 Ta Ta3 1 -0.00000000 2.30241464 2.25953324 1 [/CIF]
NbOsTa2
Immm
71
orthorhombic
mmm
15,676.326744
false
[CIF] data_CdSbAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94456357 _cell_length_b 4.94456357 _cell_length_c 4.94456357 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdSbAu2 _chemical_formula_sum 'Cd1 Sb1 Au2' _cell_volume 85.48086267 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.74816722 1.74816721 1.74816721 1 Au Au1 1 5.24450164 5.24450164 5.24450165 1 Cd Cd2 1 0.00000000 0.00000000 0.00000000 1 Sb Sb3 1 3.49633443 3.49633443 3.49633443 1 [/CIF]
Au2CdSb
Fm-3m
225
cubic
m-3m
12,201.461549
false
[CIF] data_HfSn2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14056575 _cell_length_b 5.14056575 _cell_length_c 3.72572736 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfSn2Sb _chemical_formula_sum 'Hf1 Sn2 Sb1' _cell_volume 98.45389625 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 2.57028287 2.57028287 0.00000000 1 Sb Sb1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 0.00000000 2.57028287 1.86286368 1 Sn Sn3 1 2.57028287 0.00000000 1.86286368 1 [/CIF]
HfSbSn2
P4/mmm
123
tetragonal
4/mmm
9,068.4277
false
[CIF] data_ZrTc2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33291814 _cell_length_b 5.33291814 _cell_length_c 5.33291814 _cell_angle_alpha 143.88502231 _cell_angle_beta 132.09354899 _cell_angle_gamma 61.43346890 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTc2As _chemical_formula_sum 'Zr1 Tc2 As1' _cell_volume 65.63576531 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Tc Tc1 1 -0.00000000 2.16511526 2.36682748 1 Tc Tc2 1 1.65305050 0.00000000 2.21789888 1 Zr Zr3 1 0.00000000 0.00000000 4.58472636 1 [/CIF]
AsTc2Zr
Immm
71
orthorhombic
mmm
9,207.883457
false
[CIF] data_HfNiPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96587657 _cell_length_b 4.96587657 _cell_length_c 4.96587657 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfNiPb2 _chemical_formula_sum 'Hf1 Ni1 Pb2' _cell_volume 86.59100202 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.51140500 3.51140500 3.51140500 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Pb Pb2 1 1.75570250 1.75570250 1.75570250 1 Pb Pb3 1 5.26710750 5.26710750 5.26710750 1 [/CIF]
HfNiPb2
Fm-3m
225
cubic
m-3m
12,495.290106
false
[CIF] data_CdCoIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.76743073 _cell_length_b 4.30792769 _cell_length_c 5.29964736 _cell_angle_alpha 90.00000000 _cell_angle_beta 104.44204339 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdCoIr2 _chemical_formula_sum 'Cd1 Co1 Ir2' _cell_volume 61.18530122 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.72284785 0.00000000 2.56609034 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 Ir Ir2 1 2.05297900 2.15396384 1.15405582 1 Ir Ir3 1 -0.60728329 2.15396384 3.97812487 1 [/CIF]
CdCoIr2
P2/m
10
monoclinic
2/m
15,083.54763
false
[CIF] data_Y2TcNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.33878272 _cell_length_b 3.33878272 _cell_length_c 7.81623580 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2TcNi _chemical_formula_sum 'Y2 Tc1 Ni1' _cell_volume 87.13125462 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.36702442 1 Tc Tc1 1 1.66939136 1.66939136 5.35235881 1 Y Y2 1 0.00000000 0.00000000 7.26586189 1 Y Y3 1 1.66939136 1.66939136 2.55534431 1 [/CIF]
NiTcY2
P4mm
99
tetragonal
4mm
6,392.338509
false
[CIF] data_HfBi2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.39848949 _cell_length_b 8.39848949 _cell_length_c 8.39848949 _cell_angle_alpha 155.29313164 _cell_angle_beta 154.97542311 _cell_angle_gamma 35.45370096 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfBi2P _chemical_formula_sum 'Hf1 Bi2 P1' _cell_volume 104.61376705 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.81952434 5.29434602 1 Bi Bi1 1 1.79678534 0.00000000 2.70537393 1 Hf Hf2 1 0.00000000 -0.00000000 7.99971995 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Bi2HfP
Immm
71
orthorhombic
mmm
9,959.597669
false
[CIF] data_MgTcMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.88895135 _cell_length_b 2.88895135 _cell_length_c 6.84756583 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTcMo _chemical_formula_sum 'Mg1 Tc1 Mo1' _cell_volume 49.49340186 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.80759857 1 Mo Mo1 1 0.00000000 1.66793684 2.43972169 1 Tc Tc2 1 1.44447568 0.83396842 4.44781139 1 [/CIF]
MgMoTc
P3m1
156
trigonal
3m
7,353.350661
false
[CIF] data_NaMgVPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57044115 _cell_length_b 4.57044115 _cell_length_c 4.57044115 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaMgVPd _chemical_formula_sum 'Na1 Mg1 V1 Pd1' _cell_volume 67.50864107 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.61589497 1.61589497 1.61589497 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 3.23178993 3.23178993 3.23178993 1 V V3 1 4.84768490 4.84768490 4.84768490 1 [/CIF]
MgNaPdV
F-43m
216
cubic
-43m
5,034.018238
false
[CIF] data_KSrCrIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.57691598 _cell_length_b 5.57691598 _cell_length_c 5.57691598 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSrCrIn _chemical_formula_sum 'K1 Sr1 Cr1 In1' _cell_volume 122.64993088 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 3.94347511 3.94347511 3.94347511 1 In In1 1 1.97173755 1.97173756 1.97173756 1 K K2 1 0.00000000 0.00000000 0.00000000 1 Sr Sr3 1 5.91521267 5.91521267 5.91521267 1 [/CIF]
CrInKSr
F-43m
216
cubic
-43m
3,974.091253
false
[CIF] data_LaCoBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98394916 _cell_length_b 4.98394916 _cell_length_c 4.98394916 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCoBi _chemical_formula_sum 'La1 Co1 Bi1' _cell_volume 87.53985310 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.28627638 5.28627638 5.28627638 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 La La2 1 3.52418425 3.52418425 3.52418425 1 [/CIF]
BiCoLa
F-43m
216
cubic
-43m
7,716.930364
false
[CIF] data_HfCoIrPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65096653 _cell_length_b 4.65096653 _cell_length_c 4.65096653 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCoIrPb _chemical_formula_sum 'Hf1 Co1 Ir1 Pb1' _cell_volume 71.14012825 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 3.28872997 3.28872997 3.28872997 1 Ir Ir2 1 1.64436499 1.64436499 1.64436499 1 Pb Pb3 1 4.93309496 4.93309496 4.93309496 1 [/CIF]
CoHfIrPb
F-43m
216
cubic
-43m
14,865.000233
false
[CIF] data_Mn2TeRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57959609 _cell_length_b 4.57959609 _cell_length_c 3.26576073 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 107.45345016 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2TeRh _chemical_formula_sum 'Mn2 Te1 Rh1' _cell_volume 65.33852226 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 1.35472970 -1.84604511 1.63288036 1 Mn Mn1 1 1.35472970 1.84604511 1.63288036 1 Rh Rh2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 2.70945939 0.00000000 0.00000000 1 [/CIF]
Mn2RhTe
Cmmm
65
orthorhombic
mmm
8,650.592456
false
[CIF] data_NbAlSnMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63454037 _cell_length_b 4.63454037 _cell_length_c 4.63454037 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbAlSnMo _chemical_formula_sum 'Nb1 Al1 Sn1 Mo1' _cell_volume 70.38903469 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 4.91567238 4.91567238 4.91567238 1 Nb Nb2 1 1.63855746 1.63855746 1.63855746 1 Sn Sn3 1 3.27711492 3.27711492 3.27711492 1 [/CIF]
AlMoNbSn
F-43m
216
cubic
-43m
7,892.51474
false
[CIF] data_Ti2VTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42427248 _cell_length_b 4.42427248 _cell_length_c 4.42427248 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2VTc _chemical_formula_sum 'Ti2 V1 Tc1' _cell_volume 61.23653376 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tc Tc0 1 3.12843307 3.12843307 3.12843307 1 Ti Ti1 1 4.69264961 4.69264961 4.69264961 1 Ti Ti2 1 1.56421654 1.56421654 1.56421654 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
TcTi2V
Fm-3m
225
cubic
m-3m
6,659.390756
false
[CIF] data_BaZrRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.36562780 _cell_length_b 7.36562780 _cell_length_c 7.36562780 _cell_angle_alpha 152.73360322 _cell_angle_beta 152.73360322 _cell_angle_gamma 38.94295488 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaZrRe _chemical_formula_sum 'Ba1 Zr1 Re1' _cell_volume 83.72417089 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 13.53360863 1 Re Re1 1 0.00000000 -0.00000000 4.27210347 1 Zr Zr2 1 0.00000000 0.00000000 9.97176583 1 [/CIF]
BaReZr
I4mm
107
tetragonal
4mm
8,226.081606
false
[CIF] data_Er2Au5F21 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.05867200 _cell_length_b 9.11018244 _cell_length_c 12.05770263 _cell_angle_alpha 89.17260342 _cell_angle_beta 88.84653217 _cell_angle_gamma 88.79388093 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er2Au5F21 _chemical_formula_sum 'Er4 Au10 F42' _cell_volume 884.76549009 _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 Er Er0 1 1.56359926 2.97103648 5.97898946 1 Er Er1 1 6.92956174 6.30617252 6.07508454 1 Er Er2 1 1.36159635 1.65782033 0.00699136 1 Er Er3 1 7.13156465 7.61938867 12.04708264 1 Au Au4 1 5.62776227 2.62549856 7.17651350 1 Au Au5 1 2.86539873 6.65171044 4.87756050 1 Au Au6 1 0.76314833 4.76510482 9.52879371 1 Au Au7 1 7.73001267 4.51210418 2.52528029 1 Au Au8 1 2.88449847 7.08182202 1.12726084 1 Au Au9 1 5.60866253 2.19538698 10.92681316 1 Au Au10 1 7.65713223 0.18426863 3.56506471 1 Au Au11 1 0.83602877 9.09294037 8.48900929 1 Au Au12 1 4.29102984 2.31604419 2.95265748 1 Au Au13 1 4.20213116 6.96116481 9.10141652 1 F F14 1 1.75910358 3.82055685 8.11524862 1 F F15 1 6.73405742 5.45665215 3.93882538 1 F F16 1 2.97482487 2.34732148 1.45820544 1 F F17 1 5.51833613 6.92988752 10.59586856 1 F F18 1 1.90883561 3.79206716 10.80671842 1 F F19 1 6.58432539 5.48514184 1.24735558 1 F F20 1 5.45633639 3.91534134 10.04519024 1 F F21 1 3.03682461 5.36186766 2.00888376 1 F F22 1 1.50833210 1.08907920 9.86536757 1 F F23 1 6.98482890 8.18812980 2.18870643 1 F F24 1 0.00000000 0.00000000 0.00000000 1 F F25 1 0.31549969 1.27569793 5.04507597 1 F F26 1 8.17766131 8.00151107 7.00899803 1 F F27 1 3.67081955 2.63332669 6.94365290 1 F F28 1 4.82234145 6.64388231 5.11042110 1 F F29 1 0.21724450 4.63860450 6.02703700 1 F F30 1 5.65461647 2.28709709 4.33399409 1 F F31 1 2.83854453 6.99011191 7.72007991 1 F F32 1 2.89651046 2.11317018 4.35236450 1 F F33 1 5.59665054 7.16403882 7.70170950 1 F F34 1 2.85312794 4.74729926 5.48912395 1 F F35 1 5.64003306 4.52990974 6.56495005 1 F F36 1 1.77672033 0.94135610 7.18968860 1 F F37 1 6.71644067 8.33585290 4.86438540 1 F F38 1 5.55927475 0.82739713 7.88934322 1 F F39 1 2.93388625 8.44981187 4.16473078 1 F F40 1 0.90508749 6.76274750 4.64240963 1 F F41 1 7.58807351 2.51446150 7.41166437 1 F F42 1 0.85966655 3.56105318 3.76160639 1 F F43 1 7.63349445 5.71615582 8.29246761 1 F F44 1 7.94690750 5.72961828 11.00406772 1 F F45 1 0.54625350 3.54759072 1.05000628 1 F F46 1 5.69784967 0.37617360 11.74036672 1 F F47 1 2.79531133 8.90103540 0.31370728 1 F F48 1 7.75061214 8.15337557 9.78904117 1 F F49 1 0.74254886 1.12383343 2.26503283 1 F F50 1 3.66205624 1.94808173 10.82806619 1 F F51 1 4.83110476 7.32912727 1.22600781 1 F F52 1 7.56431177 2.49827521 10.99019348 1 F F53 1 0.92884923 6.77893379 1.06388052 1 F F54 1 2.77245695 6.78986210 10.40452219 1 F F55 1 5.72070405 2.48734690 1.64955181 1 [/CIF]
Au10Er4F42
P-1
2
triclinic
-1
6,449.919346
true
[CIF] data_AlTePd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65387252 _cell_length_b 4.65387252 _cell_length_c 4.65387252 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlTePd2 _chemical_formula_sum 'Al1 Te1 Pd2' _cell_volume 71.27355998 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 4.93617723 4.93617723 4.93617723 1 Pd Pd2 1 1.64539241 1.64539241 1.64539241 1 Te Te3 1 3.29078482 3.29078482 3.29078482 1 [/CIF]
AlPd2Te
Fm-3m
225
cubic
m-3m
8,560.226526
false
[CIF] data_LiNbW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90441610 _cell_length_b 4.90441610 _cell_length_c 5.23555693 _cell_angle_alpha 94.07490452 _cell_angle_beta 94.07490452 _cell_angle_gamma 31.10619475 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiNbW2 _chemical_formula_sum 'Li1 Nb1 W2' _cell_volume 64.88271450 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 4.53173672 0.00000000 2.61064739 1 W W2 1 6.95941347 -0.00000000 1.26504762 1 W W3 1 2.10405998 -0.00000000 3.95624717 1 [/CIF]
LiNbW2
C2/m
12
monoclinic
2/m
11,965.397644
false
[CIF] data_BeV2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33484271 _cell_length_b 4.33484271 _cell_length_c 4.33484271 _cell_angle_alpha 125.49426320 _cell_angle_beta 125.49426320 _cell_angle_gamma 80.72095538 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeV2Mo _chemical_formula_sum 'Be1 V2 Mo1' _cell_volume 52.05983479 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 1.98500433 -0.00000000 1.65154299 1 V V2 1 0.00000000 -0.00000000 3.30308597 1 V V3 1 0.00000000 1.98500433 1.65154299 1 [/CIF]
BeMoV2
I-4m2
119
tetragonal
-42m
6,598.006164
false
[CIF] data_Ta2MnNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37527749 _cell_length_b 4.37527749 _cell_length_c 4.37527749 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2MnNi _chemical_formula_sum 'Ta2 Mn1 Ni1' _cell_volume 59.22455518 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Ni Ni1 1 1.54689419 1.54689419 1.54689419 1 Ta Ta2 1 3.09378838 3.09378838 3.09378838 1 Ta Ta3 1 4.64068257 4.64068257 4.64068257 1 [/CIF]
MnNiTa2
F-43m
216
cubic
-43m
13,332.839711
false
[CIF] data_Re2OsW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.78310529 _cell_length_b 3.91403810 _cell_length_c 5.58257464 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re2OsW _chemical_formula_sum 'Re2 Os1 W1' _cell_volume 60.81199121 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.39155264 1.95701905 4.20787574 1 Re Re1 1 0.00000000 0.00000000 5.57997908 1 Re Re2 1 1.39155264 1.95701905 1.35755878 1 W W3 1 0.00000000 0.00000000 2.81102301 1 [/CIF]
OsRe2W
Pmm2
25
orthorhombic
mm2
20,383.576002
false
[CIF] data_UPa2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19173072 _cell_length_b 5.19173072 _cell_length_c 5.19173072 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural UPa2Pb _chemical_formula_sum 'U1 Pa2 Pb1' _cell_volume 98.95129428 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pa Pa0 1 5.50666200 5.50666200 5.50666200 1 Pa Pa1 1 1.83555400 1.83555400 1.83555400 1 Pb Pb2 1 0.00000000 0.00000000 0.00000000 1 U U3 1 3.67110800 3.67110800 3.67110800 1 [/CIF]
Pa2PbU
Fm-3m
225
cubic
m-3m
15,225.755445
false
[CIF] data_Mg2NiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38057677 _cell_length_b 4.38057677 _cell_length_c 4.38057677 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2NiIr _chemical_formula_sum 'Mg2 Ni1 Ir1' _cell_volume 59.44001217 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.64630331 4.64630331 4.64630331 1 Mg Mg1 1 1.54876777 1.54876777 1.54876777 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Ni Ni3 1 3.09753554 3.09753554 3.09753554 1 [/CIF]
IrMg2Ni
F-43m
216
cubic
-43m
8,367.51722
false
[CIF] data_CrSn4As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.01697434 _cell_length_b 6.01697434 _cell_length_c 6.01697434 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrSn4As _chemical_formula_sum 'Cr1 Sn4 As1' _cell_volume 154.03502414 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.38196504 6.38196504 6.38196504 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 5.31978811 5.31978811 3.18949861 1 Sn Sn3 1 5.31978811 3.18949861 5.31978811 1 Sn Sn4 1 3.18949861 5.31978811 5.31978811 1 Sn Sn5 1 3.18949861 3.18949861 3.18949861 1 [/CIF]
AsCrSn4
F-43m
216
cubic
-43m
6,487.110156
false
[CIF] data_TlCu2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.32597519 _cell_length_b 3.32597519 _cell_length_c 7.09843196 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 92.60559352 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlCu2Sn _chemical_formula_sum 'Tl1 Cu2 Sn1' _cell_volume 78.44245914 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.29774038 0.00000000 5.48801240 1 Cu Cu1 1 2.29774038 0.00000000 1.61041956 1 Sn Sn2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 0.00000000 0.00000000 3.54921598 1 [/CIF]
Cu2SnTl
Cmmm
65
orthorhombic
mmm
9,529.91895
false
[CIF] data_BaNaRuPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23290074 _cell_length_b 5.23290074 _cell_length_c 5.23290074 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNaRuPb _chemical_formula_sum 'Ba1 Na1 Ru1 Pb1' _cell_volume 101.32403901 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.85010980 1.85010980 1.85010980 1 Na Na1 1 0.00000000 -0.00000000 0.00000000 1 Pb Pb2 1 5.55032940 5.55032940 5.55032940 1 Ru Ru3 1 3.70021960 3.70021960 3.70021960 1 [/CIF]
BaNaPbRu
F-43m
216
cubic
-43m
7,679.388268
false
[CIF] data_Sr2AlRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.56032649 _cell_length_b 5.56032649 _cell_length_c 3.53846887 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2AlRe _chemical_formula_sum 'Sr2 Al1 Re1' _cell_volume 109.39965829 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 2.78016324 2.78016324 0.00000000 1 Sr Sr2 1 2.78016324 0.00000000 1.76923443 1 Sr Sr3 1 0.00000000 2.78016324 1.76923443 1 [/CIF]
AlReSr2
P4/mmm
123
tetragonal
4/mmm
5,895.820636
false
[CIF] data_LiRu2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01201531 _cell_length_b 5.01201531 _cell_length_c 2.73420617 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.40081627 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiRu2Au _chemical_formula_sum 'Li1 Ru2 Au1' _cell_volume 59.24045606 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.49081012 -0.00000000 0.00000000 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 1.24540506 2.17463574 1.36710309 1 Ru Ru3 1 1.24540506 -2.17463574 1.36710309 1 [/CIF]
AuLiRu2
Cmmm
65
orthorhombic
mmm
11,381.712703
false
[CIF] data_KHfMn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57495948 _cell_length_b 4.57495948 _cell_length_c 4.57495948 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KHfMn2 _chemical_formula_sum 'K1 Hf1 Mn2' _cell_volume 67.70905572 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.85247731 4.85247731 4.85247731 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Mn Mn2 1 1.61749243 1.61749243 1.61749243 1 Mn Mn3 1 3.23498487 3.23498487 3.23498487 1 [/CIF]
HfKMn2
F-43m
216
cubic
-43m
8,030.940717
false
[CIF] data_NaTaCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92239931 _cell_length_b 4.92239931 _cell_length_c 4.92239931 _cell_angle_alpha 133.01180457 _cell_angle_beta 133.01180457 _cell_angle_gamma 68.63561006 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTaCu2 _chemical_formula_sum 'Na1 Ta1 Cu2' _cell_volume 62.62153338 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.06552347 1 Cu Cu1 1 0.00000000 1.96233711 2.03276174 1 Na Na2 1 0.00000000 -0.00000000 0.00000000 1 Ta Ta3 1 1.96233711 -0.00000000 2.03276174 1 [/CIF]
Cu2NaTa
I-4m2
119
tetragonal
-42m
8,777.933646
false
[CIF] data_ThAsPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81200150 _cell_length_b 4.81200150 _cell_length_c 4.81200150 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ThAsPd2 _chemical_formula_sum 'Th1 As1 Pd2' _cell_volume 78.78839697 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 5.10389834 5.10389834 5.10389834 1 Pd Pd2 1 1.70129945 1.70129945 1.70129945 1 Th Th3 1 3.40259889 3.40259889 3.40259889 1 [/CIF]
AsPd2Th
Fm-3m
225
cubic
m-3m
10,955.263407
false
[CIF] data_NbGaRhAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49454406 _cell_length_b 4.49454406 _cell_length_c 4.49454406 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbGaRhAu _chemical_formula_sum 'Nb1 Ga1 Rh1 Au1' _cell_volume 64.20102015 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 1.58906129 1.58906129 1.58906129 1 Rh Rh1 1 4.76718388 4.76718388 4.76718388 1 Au Au2 1 3.17812258 3.17812258 3.17812258 1 Ga Ga3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuGaNbRh
F-43m
216
cubic
-43m
11,962.453597
false
[CIF] data_La3Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77533358 _cell_length_b 4.77533358 _cell_length_c 4.77533358 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La3Re _chemical_formula_sum 'La3 Re1' _cell_volume 108.89580347 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.38766679 2.38766679 1 La La1 1 2.38766679 0.00000000 2.38766679 1 La La2 1 2.38766679 2.38766679 0.00000000 1 Re Re3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
La3Re
Pm-3m
221
cubic
m-3m
9,193.906878
false
[CIF] data_AgBSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99005826 _cell_length_b 4.99005826 _cell_length_c 4.99005826 _cell_angle_alpha 124.43363220 _cell_angle_beta 124.43363220 _cell_angle_gamma 82.47825353 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgBSb2 _chemical_formula_sum 'Ag1 B1 Sb2' _cell_volume 81.20503120 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.75234876 1 B B1 1 0.00000000 0.00000000 0.00000000 1 Sb Sb2 1 2.32600088 0.00000000 1.87617438 1 Sb Sb3 1 -0.00000000 2.32600088 1.87617438 1 [/CIF]
AgBSb2
I4/mmm
139
tetragonal
4/mmm
7,406.510564
false
[CIF] data_HfCoSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16926736 _cell_length_b 4.22918601 _cell_length_c 5.85333892 _cell_angle_alpha 90.00000000 _cell_angle_beta 96.77768296 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCoSn2 _chemical_formula_sum 'Hf1 Co1 Sn2' _cell_volume 77.90648962 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 1.23923636 0.00000000 2.90621658 1 Sn Sn2 1 -0.17560000 2.11459301 4.43859507 1 Sn Sn3 1 2.65407272 2.11459301 1.37383809 1 [/CIF]
CoHfSn2
P2/m
10
monoclinic
2/m
10,121.052555
false
[CIF] data_Ag7Pt4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91560456 _cell_length_b 5.00524075 _cell_length_c 7.68487652 _cell_angle_alpha 95.96234557 _cell_angle_beta 91.10484550 _cell_angle_gamma 98.87262841 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag7Pt4 _chemical_formula_sum 'Ag7 Pt4' _cell_volume 185.68394716 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.75088008 -0.80447677 7.63327396 1 Ag Ag1 1 1.54257672 2.86884910 6.96849972 1 Ag Ag2 1 3.98088711 1.56794886 6.23722927 1 Ag Ag3 1 1.53447295 0.27914112 5.58748803 1 Ag Ag4 1 0.77652194 2.70121703 4.16155576 1 Ag Ag5 1 3.24349628 1.40115273 3.47549858 1 Ag Ag6 1 0.76886090 0.12055895 2.75358299 1 Pt Pt7 1 3.21400804 3.95948390 4.80293734 1 Pt Pt8 1 2.45492545 3.76729214 2.06163082 1 Pt Pt9 1 0.00713108 2.54551720 1.37066262 1 Pt Pt10 1 2.47078669 1.33365641 0.77786268 1 [/CIF]
Ag7Pt4
P1
1
triclinic
1
13,730.933519
false
[CIF] data_LiScIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.53345471 _cell_length_b 8.53345471 _cell_length_c 8.53345471 _cell_angle_alpha 19.84270075 _cell_angle_beta 19.84270075 _cell_angle_gamma 19.84270075 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiScIr2 _chemical_formula_sum 'Li1 Sc1 Ir2' _cell_volume 62.62487304 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 18.83383702 1 Ir Ir1 1 -0.00000000 0.00000000 6.25476414 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Sc Sc3 1 0.00000000 -0.00000000 12.54430058 1 [/CIF]
Ir2LiSc
R-3m
166
trigonal
-3m
11,569.596699
false
[CIF] data_Zr3Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.96180688 _cell_length_b 5.67142839 _cell_length_c 10.11649643 _cell_angle_alpha 104.76313262 _cell_angle_beta 95.60040918 _cell_angle_gamma 100.02498786 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3Cu _chemical_formula_sum 'Zr6 Cu2' _cell_volume 160.00675200 _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 0.49363448 3.49052288 6.04576298 1 Cu Cu1 1 0.49363448 -0.69810458 3.62745779 1 Zr Zr2 1 2.46817240 0.69810458 1.20915260 1 Zr Zr3 1 0.49363448 -0.69810458 8.46406817 1 Zr Zr4 1 -0.49363448 0.69810458 6.04576298 1 Zr Zr5 1 1.48090344 2.09431373 3.62745779 1 Zr Zr6 1 0.49363448 3.49052288 1.20915260 1 Zr Zr7 1 -1.48090344 2.09431373 8.46406817 1 [/CIF]
Cu2Zr6
P-1
2
triclinic
-1
6,999.250419
false
[CIF] data_SrVCrAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75243915 _cell_length_b 4.75243915 _cell_length_c 4.75243915 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrVCrAu _chemical_formula_sum 'Sr1 V1 Cr1 Au1' _cell_volume 75.89876282 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.68024098 1.68024097 1.68024098 1 Cr Cr1 1 5.04072292 5.04072292 5.04072292 1 Sr Sr2 1 3.36048195 3.36048195 3.36048195 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuCrSrV
F-43m
216
cubic
-43m
8,478.386181
false
[CIF] data_Hf2IrPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18087579 _cell_length_b 5.18087579 _cell_length_c 5.18087579 _cell_angle_alpha 129.84804776 _cell_angle_beta 129.84804776 _cell_angle_gamma 73.64980232 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2IrPb _chemical_formula_sum 'Hf2 Ir1 Pb1' _cell_volume 79.97925548 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.19575714 2.07357030 1 Hf Hf1 1 2.19575714 -0.00000000 2.07357030 1 Ir Ir2 1 0.00000000 0.00000000 0.00000000 1 Pb Pb3 1 0.00000000 0.00000000 4.14714059 1 [/CIF]
Hf2IrPb
I4/mmm
139
tetragonal
4/mmm
15,704.40686
false
[CIF] data_BaAl2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.05435599 _cell_length_b 3.70375456 _cell_length_c 7.86094365 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaAl2W _chemical_formula_sum 'Ba1 Al2 W1' _cell_volume 88.92759264 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.52717799 1.85187728 5.27128704 1 Al Al1 1 1.52717799 1.85187728 2.58965661 1 Ba Ba2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 0.00000000 0.00000000 3.93047183 1 [/CIF]
Al2BaW
Pmmm
47
orthorhombic
mmm
7,004.779167
false
[CIF] data_ZrSi2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19491388 _cell_length_b 4.19491388 _cell_length_c 3.56708358 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 94.06762204 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSi2Ir _chemical_formula_sum 'Zr1 Si2 Ir1' _cell_volume 62.61293007 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.85911344 -0.00000000 0.00000000 1 Si Si1 1 1.42955672 -1.53482677 1.78354179 1 Si Si2 1 1.42955672 1.53482676 1.78354179 1 Zr Zr3 1 -0.00000000 -0.00000000 0.00000000 1 [/CIF]
IrSi2Zr
Cmmm
65
orthorhombic
mmm
9,006.74977
false
[CIF] data_Hg2RhAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.48372823 _cell_length_b 6.48372823 _cell_length_c 6.48372823 _cell_angle_alpha 152.44949025 _cell_angle_beta 138.69842905 _cell_angle_gamma 50.36835413 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hg2RhAu _chemical_formula_sum 'Hg2 Rh1 Au1' _cell_volume 82.85359606 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.54386658 -0.00000000 3.55706522 1 Hg Hg1 1 0.00000000 -0.00000000 11.67185746 1 Hg Hg2 1 -0.00000000 2.28662427 2.35931638 1 Rh Rh3 1 0.00000000 0.00000000 5.88142038 1 [/CIF]
AuHg2Rh
Imm2
44
orthorhombic
mm2
14,050.378061
false
[CIF] data_YTaBiMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92482869 _cell_length_b 4.92482869 _cell_length_c 4.92482869 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTaBiMo _chemical_formula_sum 'Y1 Ta1 Bi1 Mo1' _cell_volume 84.46142135 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.48237976 3.48237976 3.48237976 1 Mo Mo1 1 1.74118988 1.74118988 1.74118988 1 Ta Ta2 1 5.22356964 5.22356964 5.22356964 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiMoTaY
F-43m
216
cubic
-43m
11,300.6399
false
[CIF] data_TaHgIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11201634 _cell_length_b 5.11201634 _cell_length_c 4.89402058 _cell_angle_alpha 101.50764878 _cell_angle_beta 101.50764878 _cell_angle_gamma 32.72929769 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaHgIr2 _chemical_formula_sum 'Ta1 Hg1 Ir2' _cell_volume 67.63731897 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.02857509 0.00000000 1.06205412 1 Ir Ir1 1 9.64742399 -0.00000000 0.06459228 1 Ir Ir2 1 1.84460902 0.00000000 3.47156316 1 Ta Ta3 1 4.47762095 0.00000000 2.58238600 1 [/CIF]
HgIr2Ta
Cm
8
monoclinic
m
18,805.095325
false
[CIF] data_CsBa2Co2F9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.96310093 _cell_length_b 7.96310093 _cell_length_c 7.96310093 _cell_angle_alpha 44.31315406 _cell_angle_beta 44.31315406 _cell_angle_gamma 44.31315406 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsBa2Co2F9 _chemical_formula_sum 'Cs1 Ba2 Co2 F9' _cell_volume 223.96377288 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cs Cs0 1 -0.00000000 0.00000000 4.61262511 1 Ba Ba1 1 -0.00000000 -0.00000000 21.48686754 1 Ba Ba2 1 -0.00000000 -0.00000000 17.05408943 1 Co Co3 1 -0.00000000 0.00000000 8.37500378 1 Co Co4 1 -0.00000000 -0.00000000 13.01964997 1 F F5 1 1.51989337 0.87751085 9.34015905 1 F F6 1 -0.00000000 -1.75502169 9.34015905 1 F F7 1 -1.51989337 0.87751085 9.34015905 1 F F8 1 -1.55140590 -0.89570462 12.09211426 1 F F9 1 0.00000000 1.79140923 12.09211426 1 F F10 1 1.55140590 -0.89570462 12.09211426 1 F F11 1 0.00000000 -1.65451815 14.39854868 1 F F12 1 -1.43285475 0.82725908 14.39854868 1 F F13 1 1.43285475 0.82725908 14.39854868 1 [/CIF]
Ba2Co2CsF9
R3m
160
trigonal
3m
5,163.417227
false
[CIF] data_GaRuBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.22624742 _cell_length_b 6.22624742 _cell_length_c 6.22624742 _cell_angle_alpha 150.32778360 _cell_angle_beta 150.32778360 _cell_angle_gamma 42.46046446 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaRuBr _chemical_formula_sum 'Ga1 Ru1 Br1' _cell_volume 59.00427455 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.30225466 1 Ga Ga1 1 0.00000000 -0.00000000 3.31672179 1 Ru Ru2 1 0.00000000 0.00000000 7.98840318 1 [/CIF]
BrGaRu
I4mm
107
tetragonal
4mm
7,055.288207
false