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_LiCu2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.90537628 _cell_length_b 3.66937961 _cell_length_c 5.36327396 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCu2Se _chemical_formula_sum 'Li1 Cu2 Se1' _cell_volume 57.17748011 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.18678980 1 Cu Cu1 1 1.45268814 1.83468981 1.24187676 1 Li Li2 1 0.00000000 0.00000000 2.71655012 1 Se Se3 1 1.45268814 1.83468981 3.89969426 1 [/CIF]
Cu2LiSe
Pmm2
25
orthorhombic
mm2
6,185.708022
false
[CIF] data_IrPt2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.34714399 _cell_length_b 9.34714399 _cell_length_c 9.34714399 _cell_angle_alpha 17.37622198 _cell_angle_beta 17.37622198 _cell_angle_gamma 17.37622198 _symmetry_Int_Tables_number 1 _chemical_formula_structural IrPt2Au _chemical_formula_sum 'Ir1 Pt2 Au1' _cell_volume 63.56128228 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 -0.00000000 -0.00000000 13.80578712 1 Ir Ir1 1 -0.00000000 0.00000000 -0.00000000 1 Pt Pt2 1 -0.00000000 -0.00000000 7.01083852 1 Pt Pt3 1 0.00000000 -0.00000000 20.60073571 1 [/CIF]
AuIrPt2
R-3m
166
trigonal
-3m
20,360.566708
false
[CIF] data_ZrTa2Ti _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.91905259 _cell_length_b 4.67229914 _cell_length_c 5.75179252 _cell_angle_alpha 90.00000000 _cell_angle_beta 101.57042380 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTa2Ti _chemical_formula_sum 'Zr1 Ta2 Ti1' _cell_volume 76.85277124 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ta Ta0 1 2.78031976 0.00000000 0.11336143 1 Ta Ta1 1 1.94276045 2.33614957 1.40942664 1 Ti Ti2 1 1.00281829 0.00000000 2.69686284 1 Zr Zr3 1 -0.15874185 2.33614957 4.23271387 1 [/CIF]
Ta2TiZr
Pm
6
monoclinic
m
10,824.698621
false
[CIF] data_MgTc2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70849675 _cell_length_b 4.70849675 _cell_length_c 5.12911782 _cell_angle_alpha 96.70159720 _cell_angle_beta 96.70159720 _cell_angle_gamma 34.76893438 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTc2Au _chemical_formula_sum 'Mg1 Tc2 Au1' _cell_volume 64.35981791 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 4.22252203 0.00000000 2.40491570 1 Mg Mg1 1 6.61492625 0.00000000 1.38830247 1 Tc Tc2 1 8.35406570 0.00000000 4.90895893 1 Tc Tc3 1 1.70755604 0.00000000 4.02438403 1 [/CIF]
AuMgTc2
Cm
8
monoclinic
m
10,812.729515
false
[CIF] data_LaTa2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.26805438 _cell_length_b 5.03195537 _cell_length_c 5.21694765 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTa2Au _chemical_formula_sum 'La1 Ta2 Au1' _cell_volume 85.79115878 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.63402719 2.51597769 0.00000000 1 La La1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 0.00000000 2.51597769 2.60847382 1 Ta Ta3 1 1.63402719 0.00000000 2.60847382 1 [/CIF]
AuLaTa2
Pmmm
47
orthorhombic
mmm
13,505.712083
false
[CIF] data_KSi4B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26477246 _cell_length_b 5.26477246 _cell_length_c 5.26477246 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSi4B _chemical_formula_sum 'K1 Si4 B1' _cell_volume 103.18672313 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 K K1 1 1.86137815 1.86137815 1.86137815 1 Si Si2 1 2.78349407 2.78349407 4.66201855 1 Si Si3 1 2.78349407 4.66201855 2.78349407 1 Si Si4 1 4.66201855 2.78349407 2.78349407 1 Si Si5 1 4.66201855 4.66201855 4.66201855 1 [/CIF]
BKSi4
F-43m
216
cubic
-43m
2,611.039619
false
[CIF] data_TaOsRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.34628135 _cell_length_b 3.34628135 _cell_length_c 5.50382859 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaOsRh2 _chemical_formula_sum 'Ta1 Os1 Rh2' _cell_volume 61.62966482 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.75191430 1 Rh Rh1 1 1.67314068 1.67314068 4.10722410 1 Rh Rh2 1 1.67314068 1.67314068 1.39660449 1 Ta Ta3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
OsRh2Ta
P4/mmm
123
tetragonal
4/mmm
15,546.288935
false
[CIF] data_TeMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56687047 _cell_length_b 4.56687047 _cell_length_c 2.98775492 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TeMo2 _chemical_formula_sum 'Te1 Mo2' _cell_volume 53.96510033 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 0.00000000 2.63668389 2.33038182 1 Mo Mo1 1 2.28343523 1.31834195 0.65737310 1 Te Te2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mo2Te
P-3m1
164
trigonal
-3m
9,831.825379
false
[CIF] data_LaSc2Tl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.78688280 _cell_length_b 10.78688280 _cell_length_c 10.78688280 _cell_angle_alpha 18.28852052 _cell_angle_beta 18.28852052 _cell_angle_gamma 18.28852052 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaSc2Tl _chemical_formula_sum 'La1 Sc2 Tl1' _cell_volume 107.94477921 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 -0.00000000 -0.00000000 -0.00000000 1 Sc Sc1 1 0.00000000 0.00000000 7.78167231 1 Sc Sc2 1 0.00000000 -0.00000000 24.02944716 1 Tl Tl3 1 -0.00000000 0.00000000 15.90555974 1 [/CIF]
LaSc2Tl
R-3m
166
trigonal
-3m
6,664.023178
false
[CIF] data_CaMg2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36607797 _cell_length_b 5.36607797 _cell_length_c 5.36607797 _cell_angle_alpha 132.23561966 _cell_angle_beta 132.23561966 _cell_angle_gamma 69.85714487 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMg2Ni _chemical_formula_sum 'Ca1 Mg2 Ni1' _cell_volume 83.05736832 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mg Mg1 1 2.17249627 -0.00000000 2.19973366 1 Mg Mg2 1 -0.00000000 2.17249627 2.19973366 1 Ni Ni3 1 0.00000000 -0.00000000 4.39946732 1 [/CIF]
CaMg2Ni
I4/mmm
139
tetragonal
4/mmm
2,946.548601
false
[CIF] data_Bi2RuBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.78865792 _cell_length_b 6.78865792 _cell_length_c 5.39010438 _cell_angle_alpha 112.58484259 _cell_angle_beta 112.58484259 _cell_angle_gamma 29.68625425 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi2RuBr _chemical_formula_sum 'Bi2 Ru1 Br1' _cell_volume 112.89724200 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.87205145 0.00000000 0.57970094 1 Bi Bi1 1 1.51530170 0.00000000 3.72837078 1 Br Br2 1 4.49698285 -0.00000000 2.31130611 1 Ru Ru3 1 9.58973728 -0.00000000 0.80024839 1 [/CIF]
Bi2BrRu
Cm
8
monoclinic
m
8,809.379362
false
[CIF] data_AgHg2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.88244263 _cell_length_b 4.21550705 _cell_length_c 6.29904231 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgHg2Mo _chemical_formula_sum 'Ag1 Hg2 Mo1' _cell_volume 76.53939369 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.14952115 1 Hg Hg1 1 1.44122132 2.10775353 4.77532898 1 Hg Hg2 1 1.44122132 2.10775353 1.52371333 1 Mo Mo3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgHg2Mo
Pmmm
47
orthorhombic
mmm
13,125.786648
false
[CIF] data_MgHgMoIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56659411 _cell_length_b 4.56659411 _cell_length_c 4.56659411 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgHgMoIr _chemical_formula_sum 'Mg1 Hg1 Mo1 Ir1' _cell_volume 67.33831391 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 1.61453483 1.61453483 1.61453483 1 Ir Ir1 1 3.22906966 3.22906966 3.22906966 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Mo Mo3 1 4.84360449 4.84360449 4.84360449 1 [/CIF]
HgIrMgMo
F-43m
216
cubic
-43m
12,652.174528
false
[CIF] data_YCr2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16467643 _cell_length_b 5.16467643 _cell_length_c 2.79016590 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.86920139 _symmetry_Int_Tables_number 1 _chemical_formula_structural YCr2Rh _chemical_formula_sum 'Y1 Cr2 Rh1' _cell_volume 63.88163663 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.27416878 2.24609986 1.39508295 1 Cr Cr1 1 1.27416878 -2.24609986 1.39508295 1 Rh Rh2 1 2.54833756 0.00000000 0.00000000 1 Y Y3 1 0.00000000 -0.00000000 0.00000000 1 [/CIF]
Cr2RhY
Cmmm
65
orthorhombic
mmm
7,689.116571
false
[CIF] data_ZrTlMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.50600274 _cell_length_b 3.50600274 _cell_length_c 6.19407944 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTlMo2 _chemical_formula_sum 'Zr1 Tl1 Mo2' _cell_volume 76.13796625 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.75300137 1.75300137 1.40565428 1 Mo Mo1 1 1.75300137 1.75300137 4.78842516 1 Tl Tl2 1 0.00000000 0.00000000 3.09703972 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mo2TlZr
P4/mmm
123
tetragonal
4/mmm
10,632.881583
false
[CIF] data_NbNi2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.27226265 _cell_length_b 3.27226265 _cell_length_c 5.81719536 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbNi2Te _chemical_formula_sum 'Nb1 Ni2 Te1' _cell_volume 62.28879934 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.56478927 1 Ni Ni1 1 1.63613133 1.63613133 0.12565962 1 Ni Ni2 1 0.00000000 0.00000000 1.30847862 1 Te Te3 1 1.63613133 1.63613133 2.72686553 1 [/CIF]
NbNi2Te
P4mm
99
tetragonal
4mm
9,007.796453
false
[CIF] data_La2Cd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.05534693 _cell_length_b 5.52292926 _cell_length_c 10.07130149 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2Cd _chemical_formula_sum 'La8 Cd4' _cell_volume 392.44016683 _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 1.59209216 1.38073231 9.01284940 1 Cd Cd1 1 1.93558130 4.14219694 3.97719865 1 Cd Cd2 1 5.11976563 1.38073231 6.09410284 1 Cd Cd3 1 5.46325477 4.14219694 1.05845209 1 La La4 1 0.10184175 1.38073231 1.99125875 1 La La5 1 1.38323484 1.38073231 5.76093149 1 La La6 1 2.14443862 4.14219694 0.72528075 1 La La7 1 3.42583172 4.14219694 7.02690950 1 La La8 1 3.62951521 1.38073231 3.04439199 1 La La9 1 4.91090831 1.38073231 9.34602074 1 La La10 1 5.67211209 4.14219694 4.31037000 1 La La11 1 6.95350518 4.14219694 8.08004274 1 [/CIF]
Cd4La8
Pnma
62
orthorhombic
mmm
6,604.612176
false
[CIF] data_Re2POs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76254299 _cell_length_b 4.76254299 _cell_length_c 2.84086168 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 116.64160238 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re2POs _chemical_formula_sum 'Re2 P1 Os1' _cell_volume 57.59466966 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.50111008 -0.00000000 0.00000000 1 P P1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 1.25055504 2.02646639 1.42043084 1 Re Re3 1 1.25055504 -2.02646639 1.42043084 1 [/CIF]
OsPRe2
Cmmm
65
orthorhombic
mmm
17,114.873482
false
[CIF] data_MoRuPtAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48633463 _cell_length_b 4.48633463 _cell_length_c 4.48633463 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MoRuPtAu _chemical_formula_sum 'Mo1 Ru1 Pt1 Au1' _cell_volume 63.84986659 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.58615882 1.58615882 1.58615882 1 Mo Mo1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 3.17231764 3.17231764 3.17231764 1 Ru Ru3 1 4.75847646 4.75847646 4.75847646 1 [/CIF]
AuMoPtRu
F-43m
216
cubic
-43m
15,320.177637
false
[CIF] data_CaCd2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40641819 _cell_length_b 3.40641819 _cell_length_c 7.54308424 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCd2Cu _chemical_formula_sum 'Ca1 Cd2 Cu1' _cell_volume 87.52757258 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cd Cd1 1 1.70320910 1.70320910 2.26007587 1 Cd Cd2 1 1.70320910 1.70320910 5.28300837 1 Cu Cu3 1 0.00000000 0.00000000 3.77154212 1 [/CIF]
CaCd2Cu
P4/mmm
123
tetragonal
4/mmm
6,231.149776
false
[CIF] data_LaCdBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.76159480 _cell_length_b 7.76159480 _cell_length_c 7.76159480 _cell_angle_alpha 152.38178545 _cell_angle_beta 152.38178545 _cell_angle_gamma 39.45602949 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCdBr _chemical_formula_sum 'La1 Cd1 Br1' _cell_volume 100.30071928 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.53251861 1 Cd Cd1 1 0.00000000 -0.00000000 4.49727155 1 La La2 1 0.00000000 -0.00000000 9.58227515 1 [/CIF]
BrCdLa
I4mm
107
tetragonal
4mm
5,483.555193
false
[CIF] data_Cu7Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.42487113 _cell_length_b 2.42487113 _cell_length_c 15.83919190 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu7Ni _chemical_formula_sum 'Cu7 Ni1' _cell_volume 87.80800000 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.40000000 0.00000000 1.97989899 1 Cu Cu1 1 0.00000000 0.00000000 3.95979797 1 Cu Cu2 1 1.40000000 0.00000000 5.93969696 1 Cu Cu3 1 0.00000000 0.00000000 7.91959595 1 Cu Cu4 1 1.40000000 0.00000000 9.89949494 1 Cu Cu5 1 0.00000000 0.00000000 11.87939392 1 Cu Cu6 1 1.40000000 0.00000000 13.85929291 1 Ni Ni7 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cu7Ni
Cmmm
65
orthorhombic
mmm
9,521.991075
false
[CIF] data_Cd2HgP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.24108606 _cell_length_b 3.24108606 _cell_length_c 8.15884492 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2HgP _chemical_formula_sum 'Cd2 Hg1 P1' _cell_volume 85.70571930 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.62054303 1.62054303 1.83467864 1 Cd Cd1 1 1.62054303 1.62054303 6.32416628 1 Hg Hg2 1 0.00000000 0.00000000 4.07942246 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cd2HgP
P4/mmm
123
tetragonal
4/mmm
8,842.424909
false
[CIF] data_TeIr2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.87315114 _cell_length_b 2.87315114 _cell_length_c 9.52955760 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.47945145 _symmetry_Int_Tables_number 1 _chemical_formula_structural TeIr2Rh _chemical_formula_sum 'Te1 Ir2 Rh1' _cell_volume 67.79564286 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.42615230 0.00000000 7.27682117 1 Ir Ir1 1 1.42615230 0.00000000 2.25273643 1 Rh Rh2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 0.00000000 0.00000000 4.76477880 1 [/CIF]
Ir2RhTe
Cmmm
65
orthorhombic
mmm
15,061.898084
false
[CIF] data_SrLi2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99149997 _cell_length_b 6.66731098 _cell_length_c 4.39060930 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.26646869 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrLi2Cl _chemical_formula_sum 'Sr1 Li2 Cl1' _cell_volume 116.84414057 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Li Li1 1 0.93549275 3.33365549 3.29230888 1 Li Li2 1 3.03558764 3.33365549 1.09825294 1 Sr Sr3 1 1.98554020 0.00000000 2.19528091 1 [/CIF]
ClLi2Sr
P2/m
10
monoclinic
2/m
1,946.346019
false
[CIF] data_ZrCd2Ga _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34369116 _cell_length_b 5.34369116 _cell_length_c 5.34369116 _cell_angle_alpha 131.84312036 _cell_angle_beta 131.84312036 _cell_angle_gamma 70.47691435 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCd2Ga _chemical_formula_sum 'Zr1 Cd2 Ga1' _cell_volume 82.97931589 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.36450149 1 Cd Cd1 1 0.00000000 2.18015618 2.18225075 1 Ga Ga2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 2.18015618 -0.00000000 2.18225075 1 [/CIF]
Cd2GaZr
I-4m2
119
tetragonal
-42m
7,719.809308
false
[CIF] data_BeWSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.73441203 _cell_length_b 4.56335097 _cell_length_c 5.45673171 _cell_angle_alpha 90.00000000 _cell_angle_beta 101.49543756 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeWSe2 _chemical_formula_sum 'Be1 W1 Se2' _cell_volume 66.72370753 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Se Se1 1 1.09104170 2.28167549 4.01328022 1 Se Se2 1 0.55589880 2.28167549 1.33399260 1 W W3 1 0.82347025 0.00000000 2.67363641 1 [/CIF]
BeSe2W
P2/m
10
monoclinic
2/m
8,729.594521
false
[CIF] data_BeNb4V _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31251388 _cell_length_b 5.31251388 _cell_length_c 5.31251388 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeNb4V _chemical_formula_sum 'Be1 Nb4 V1' _cell_volume 106.01937398 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 2.82563252 2.82563252 4.68739666 1 Nb Nb2 1 4.68739666 4.68739666 4.68739666 1 Nb Nb3 1 4.68739666 2.82563252 2.82563252 1 Nb Nb4 1 2.82563252 4.68739666 2.82563252 1 V V5 1 1.87825730 1.87825729 1.87825730 1 [/CIF]
BeNb4V
F-43m
216
cubic
-43m
6,759.652489
false
[CIF] data_NiSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.45883712 _cell_length_b 3.45883712 _cell_length_c 7.25763862 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiSn _chemical_formula_sum 'Ni2 Sn2' _cell_volume 75.19452024 _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 Ni Ni0 1 1.72941856 0.99848027 6.62419664 1 Ni Ni1 1 -0.00000000 1.99696054 0.63344198 1 Sn Sn2 1 1.72941856 0.99848027 2.27589198 1 Sn Sn3 1 -0.00000000 1.99696054 4.98174664 1 [/CIF]
Ni2Sn2
P-3m1
164
trigonal
-3m
7,835.28574
false
[CIF] data_LaSiAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85574608 _cell_length_b 3.85574608 _cell_length_c 5.92114357 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaSiAs2 _chemical_formula_sum 'La1 Si1 As2' _cell_volume 88.02832598 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.92787304 1.92787304 1.28944163 1 As As1 1 1.92787304 1.92787304 4.63170194 1 La La2 1 0.00000000 0.00000000 2.96057178 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As2LaSi
P4/mmm
123
tetragonal
4/mmm
5,976.661615
false
[CIF] data_LaBi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.66525684 _cell_length_b 6.66525684 _cell_length_c 6.66525684 _cell_angle_alpha 141.63901767 _cell_angle_beta 64.01564454 _cell_angle_gamma 130.84458357 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaBi3 _chemical_formula_sum 'La1 Bi3' _cell_volume 137.24804588 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.18983730 2.80782232 2.62427329 1 Bi Bi1 1 2.18983730 -2.80782232 2.62427329 1 Bi Bi2 1 0.00000000 5.65197611 2.01759158 1 La La3 1 -0.00000000 -0.00000000 1.97472961 1 [/CIF]
Bi3La
Imm2
44
orthorhombic
mm2
9,265.839134
false
[CIF] data_CaFeCuHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79747214 _cell_length_b 4.79747214 _cell_length_c 4.79747214 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaFeCuHg _chemical_formula_sum 'Ca1 Fe1 Cu1 Hg1' _cell_volume 78.07686829 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 5.08848762 5.08848762 5.08848762 1 Fe Fe2 1 3.39232508 3.39232508 3.39232508 1 Hg Hg3 1 1.69616254 1.69616254 1.69616254 1 [/CIF]
CaCuFeHg
F-43m
216
cubic
-43m
7,657.735881
false
[CIF] data_MnZn2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.91770390 _cell_length_b 2.91770390 _cell_length_c 8.45591390 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnZn2Sn _chemical_formula_sum 'Mn1 Zn2 Sn1' _cell_volume 71.98516167 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sn Sn1 1 0.00000000 0.00000000 4.22795695 1 Zn Zn2 1 1.45885195 1.45885195 6.79958893 1 Zn Zn3 1 1.45885195 1.45885195 1.65632497 1 [/CIF]
MnSnZn2
P4/mmm
123
tetragonal
4/mmm
7,022.091465
false
[CIF] data_TiTcHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36039156 _cell_length_b 4.36039156 _cell_length_c 4.36039156 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiTcHg _chemical_formula_sum 'Ti1 Tc1 Hg1' _cell_volume 58.62211363 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 1.54163122 1.54163122 1.54163122 1 Tc Tc1 1 4.62489366 4.62489366 4.62489366 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgTcTi
F-43m
216
cubic
-43m
9,839.463783
false
[CIF] data_ZrMnNbIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69047271 _cell_length_b 4.69047271 _cell_length_c 4.69047271 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrMnNbIn _chemical_formula_sum 'Zr1 Mn1 Nb1 In1' _cell_volume 72.96840322 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.31666506 3.31666506 3.31666506 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 4.97499759 4.97499759 4.97499759 1 Zr Zr3 1 1.65833253 1.65833253 1.65833253 1 [/CIF]
InMnNbZr
F-43m
216
cubic
-43m
8,053.37938
false
[CIF] data_TlSbRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.23272232 _cell_length_b 3.23272232 _cell_length_c 7.08529062 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlSbRh2 _chemical_formula_sum 'Tl1 Sb1 Rh2' _cell_volume 74.04478427 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.61636116 1.61636116 5.55177101 1 Rh Rh1 1 1.61636116 1.61636116 1.53351961 1 Sb Sb2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 0.00000000 0.00000000 3.54264531 1 [/CIF]
Rh2SbTl
P4/mmm
123
tetragonal
4/mmm
11,929.684252
false
[CIF] data_BaCoSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19480379 _cell_length_b 4.19480379 _cell_length_c 6.82892717 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCoSe2 _chemical_formula_sum 'Ba1 Co1 Se2' _cell_volume 120.16438953 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 2.09740189 2.09740189 2.80595796 1 Co Co1 1 0.00000000 0.00000000 6.36448596 1 Se Se2 1 2.09740189 2.09740189 6.01139819 1 Se Se3 1 0.00000000 0.00000000 1.89047588 1 [/CIF]
BaCoSe2
P4mm
99
tetragonal
4mm
4,894.529916
false
[CIF] data_BeMoOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.94482918 _cell_length_b 2.94482918 _cell_length_c 6.08726798 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeMoOs2 _chemical_formula_sum 'Be1 Mo1 Os2' _cell_volume 52.78890297 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 3.04363399 1 Os Os2 1 1.47241459 1.47241459 4.74540779 1 Os Os3 1 1.47241459 1.47241459 1.34186019 1 [/CIF]
BeMoOs2
P4/mmm
123
tetragonal
4/mmm
15,269.858949
false
[CIF] data_HfMgGaMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65774847 _cell_length_b 4.65774847 _cell_length_c 4.65774847 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMgGaMo _chemical_formula_sum 'Hf1 Mg1 Ga1 Mo1' _cell_volume 71.45178758 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.94028830 4.94028830 4.94028830 1 Hf Hf1 1 1.64676277 1.64676277 1.64676277 1 Mg Mg2 1 0.00000000 -0.00000000 0.00000000 1 Mo Mo3 1 3.29352553 3.29352553 3.29352553 1 [/CIF]
GaHfMgMo
F-43m
216
cubic
-43m
8,563.426261
false
[CIF] data_La2UW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20386313 _cell_length_b 5.20386313 _cell_length_c 5.20386313 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2UW _chemical_formula_sum 'La2 U1 W1' _cell_volume 99.64662582 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 1.83984345 1.83984345 1.83984345 1 La La1 1 5.51953036 5.51953036 5.51953036 1 U U2 1 3.67968691 3.67968690 3.67968691 1 W W3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
La2UW
Fm-3m
225
cubic
m-3m
11,659.659477
false
[CIF] data_Tl2SiB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.04341445 _cell_length_b 6.04341445 _cell_length_c 6.04341445 _cell_angle_alpha 141.26980631 _cell_angle_beta 141.26980631 _cell_angle_gamma 55.93025788 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2SiB _chemical_formula_sum 'Tl2 Si1 B1' _cell_volume 85.73854849 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Si Si1 1 2.00391454 0.00000000 2.66887201 1 Tl Tl2 1 0.00000000 -0.00000000 5.33774402 1 Tl Tl3 1 0.00000000 2.00391454 2.66887201 1 [/CIF]
BSiTl2
I-4m2
119
tetragonal
-42m
8,670.10323
false
[CIF] data_Ca2TlPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51815759 _cell_length_b 4.51815759 _cell_length_c 7.12554986 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2TlPb _chemical_formula_sum 'Ca2 Tl1 Pb1' _cell_volume 145.45917926 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 2.25907880 2.25907880 6.86796750 1 Ca Ca1 1 0.00000000 0.00000000 2.02127110 1 Pb Pb2 1 2.25907880 2.25907880 3.56454228 1 Tl Tl3 1 0.00000000 0.00000000 5.36009377 1 [/CIF]
Ca2PbTl
P4mm
99
tetragonal
4mm
5,613.618352
false
[CIF] data_MgNbCoAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49670394 _cell_length_b 4.49670394 _cell_length_c 4.49670394 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgNbCoAu _chemical_formula_sum 'Mg1 Nb1 Co1 Au1' _cell_volume 64.29362120 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.17964985 3.17964985 3.17964985 1 Co Co1 1 1.58982492 1.58982492 1.58982493 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Nb Nb3 1 4.76947478 4.76947478 4.76947478 1 [/CIF]
AuCoMgNb
F-43m
216
cubic
-43m
9,636.502335
false
[CIF] data_Ti2TcAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10725126 _cell_length_b 5.10725126 _cell_length_c 2.73017709 _cell_angle_alpha 98.21278401 _cell_angle_beta 98.21278401 _cell_angle_gamma 110.50663077 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2TcAg _chemical_formula_sum 'Ti2 Tc1 Ag1' _cell_volume 64.57225857 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.91087386 -0.00000000 0.00000000 1 Tc Tc1 1 0.00000000 0.00000000 0.00000000 1 Ti Ti2 1 1.11329665 2.09826290 1.32151684 1 Ti Ti3 1 1.11329665 -2.09826290 1.32151684 1 [/CIF]
AgTcTi2
C2/m
12
monoclinic
2/m
7,779.300698
false
[CIF] data_LiMgNbHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73898828 _cell_length_b 4.73898828 _cell_length_c 4.73898828 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMgNbHg _chemical_formula_sum 'Li1 Mg1 Nb1 Hg1' _cell_volume 75.25613439 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 1.67548537 1.67548537 1.67548538 1 Li Li1 1 -0.00000000 -0.00000000 -0.00000000 1 Mg Mg2 1 5.02645612 5.02645612 5.02645613 1 Nb Nb3 1 3.35097075 3.35097075 3.35097075 1 [/CIF]
HgLiMgNb
F-43m
216
cubic
-43m
7,165.494387
false
[CIF] data_ReTe2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22790328 _cell_length_b 3.22790328 _cell_length_c 9.28273895 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReTe2Br _chemical_formula_sum 'Re1 Te2 Br1' _cell_volume 96.72019505 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 0.00000000 0.00000000 4.64136948 1 Te Te2 1 1.61395164 1.61395164 6.35925273 1 Te Te3 1 1.61395164 1.61395164 2.92348622 1 [/CIF]
BrReTe2
P4/mmm
123
tetragonal
4/mmm
8,950.119268
false
[CIF] data_Mg2CdAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78142815 _cell_length_b 4.78142815 _cell_length_c 4.78142815 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2CdAu _chemical_formula_sum 'Mg2 Cd1 Au1' _cell_volume 77.29615747 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.38098027 3.38098027 3.38098027 1 Cd Cd1 1 0.00000000 0.00000000 0.00000000 1 Mg Mg2 1 1.69049013 1.69049013 1.69049013 1 Mg Mg3 1 5.07147040 5.07147041 5.07147041 1 [/CIF]
AuCdMg2
Fm-3m
225
cubic
m-3m
7,690.580789
false
[CIF] data_AgBi2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.01960102 _cell_length_b 6.01960102 _cell_length_c 3.42107568 _cell_angle_alpha 93.27027695 _cell_angle_beta 93.27027695 _cell_angle_gamma 109.22612273 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgBi2Pb _chemical_formula_sum 'Ag1 Bi2 Pb1' _cell_volume 116.48143444 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Bi Bi1 1 1.57445804 2.45376945 1.70221805 1 Bi Bi2 1 1.57445804 -2.45376945 1.70221805 1 Pb Pb3 1 3.48592288 -0.00000000 0.00000000 1 [/CIF]
AgBi2Pb
C2/m
12
monoclinic
2/m
10,449.933908
false
[CIF] data_CoSeO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44072782 _cell_length_b 5.44072782 _cell_length_c 7.02136057 _cell_angle_alpha 104.96105170 _cell_angle_beta 104.96105170 _cell_angle_gamma 102.18222048 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoSeO5 _chemical_formula_sum 'Co2 Se2 O10' _cell_volume 185.20731180 _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 Co Co0 1 0.00000000 0.00000000 0.00000000 1 Co Co1 1 -1.44300100 -0.00000000 3.20041000 1 Se Se2 1 1.25273150 -1.45546263 4.80061500 1 Se Se3 1 2.69573250 1.45546263 1.60020500 1 O O4 1 2.04862895 -0.47576391 5.91108686 1 O O5 1 1.89983505 0.47576391 0.48973314 1 O O6 1 0.45683405 -0.47576391 3.69014314 1 O O7 1 3.49162995 0.47576391 2.71067686 1 O O8 1 1.25273150 3.79506139 4.80061500 1 O O9 1 2.69573250 -3.79506139 1.60020500 1 O O10 1 0.14109355 -2.37415404 5.67451895 1 O O11 1 3.80737045 2.37415404 0.72630105 1 O O12 1 2.36436945 -2.37415404 3.92671105 1 O O13 1 1.58409455 2.37415404 2.47410895 1 [/CIF]
Co2O10Se2
C2/c
15
monoclinic
2/m
3,907.137116
false
[CIF] data_Rb2CaSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.30347936 _cell_length_b 6.30347936 _cell_length_c 6.30347936 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb2CaSn _chemical_formula_sum 'Rb2 Ca1 Sn1' _cell_volume 177.10303650 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rb Rb1 1 6.68584950 6.68584950 6.68584950 1 Rb Rb2 1 2.22861650 2.22861650 2.22861650 1 Sn Sn3 1 4.45723300 4.45723300 4.45723300 1 [/CIF]
CaRb2Sn
Fm-3m
225
cubic
m-3m
3,091.527564
false
[CIF] data_HfV2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28961248 _cell_length_b 3.28961248 _cell_length_c 6.13250254 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfV2Au _chemical_formula_sum 'Hf1 V2 Au1' _cell_volume 66.36318451 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.06625127 1 Hf Hf1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 1.64480624 1.64480624 1.53541018 1 V V3 1 1.64480624 1.64480624 4.59709236 1 [/CIF]
AuHfV2
P4/mmm
123
tetragonal
4/mmm
11,943.986839
false
[CIF] data_SrHfSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16480422 _cell_length_b 6.52937968 _cell_length_c 6.52937968 _cell_angle_alpha 35.27436043 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrHfSe2 _chemical_formula_sum 'Sr1 Hf1 Se2' _cell_volume 102.53795998 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.08240211 0.00000000 9.63539225 1 Se Se1 1 2.08240211 -0.00000000 12.22734943 1 Se Se2 1 0.00000000 0.00000000 3.02096801 1 Sr Sr3 1 0.00000000 0.00000000 6.22859704 1 [/CIF]
HfSe2Sr
Amm2
38
orthorhombic
mm2
6,866.919806
false
[CIF] data_MgTlVAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80310126 _cell_length_b 4.80310126 _cell_length_c 4.80310126 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTlVAg _chemical_formula_sum 'Mg1 Tl1 V1 Ag1' _cell_volume 78.35202575 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.39630547 3.39630547 3.39630547 1 Mg Mg1 1 -0.00000000 -0.00000000 0.00000000 1 Tl Tl2 1 5.09445821 5.09445821 5.09445821 1 V V3 1 1.69815273 1.69815273 1.69815274 1 [/CIF]
AgMgTlV
F-43m
216
cubic
-43m
8,212.366701
false
[CIF] data_Ti4In2CoNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.86465370 _cell_length_b 7.86465370 _cell_length_c 7.86465370 _cell_angle_alpha 33.57597012 _cell_angle_beta 33.57597012 _cell_angle_gamma 33.57597012 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti4In2CoNi _chemical_formula_sum 'Ti4 In2 Co1 Ni1' _cell_volume 132.52919989 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ti Ti0 1 -0.00000000 -0.00000000 19.46571330 1 Ti Ti1 1 -0.00000000 -0.00000000 8.34049434 1 Ti Ti2 1 -0.00000000 0.00000000 13.90260335 1 Ti Ti3 1 0.00000000 0.00000000 2.77738439 1 In In4 1 -0.00000000 -0.00000000 5.56395519 1 In In5 1 -0.00000000 -0.00000000 16.67914251 1 Co Co6 1 0.00000000 0.00000000 0.00000000 1 Ni Ni7 1 -0.00000000 -0.00000000 11.12154885 1 [/CIF]
CoIn2NiTi4
R-3m
166
trigonal
-3m
6,750.083534
false
[CIF] data_MnCoIrW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19297161 _cell_length_b 4.19297161 _cell_length_c 4.19297161 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCoIrW _chemical_formula_sum 'Mn1 Co1 Ir1 W1' _cell_volume 52.12556415 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.96487866 2.96487866 2.96487866 1 Ir Ir1 1 4.44731799 4.44731799 4.44731799 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 1.48243933 1.48243933 1.48243933 1 [/CIF]
CoIrMnW
F-43m
216
cubic
-43m
15,607.40868
false
[CIF] data_YCd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19278074 _cell_length_b 5.19278074 _cell_length_c 6.30610332 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YCd2 _chemical_formula_sum 'Y2 Cd4' _cell_volume 147.26233553 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 0.00000000 3.15305166 1 Cd Cd1 1 0.00000000 0.00000000 0.00000000 1 Cd Cd2 1 0.00000000 2.99805336 4.72957749 1 Cd Cd3 1 2.59639037 1.49902668 1.57652583 1 Y Y4 1 0.00000000 2.99805336 1.57652583 1 Y Y5 1 2.59639037 1.49902668 4.72957749 1 [/CIF]
Cd4Y2
P6_3/mmc
194
hexagonal
6/mmm
7,075.228518
false
[CIF] data_Tb4C5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.61501664 _cell_length_b 12.02857507 _cell_length_c 3.68571735 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb4C5 _chemical_formula_sum 'Tb8 C10' _cell_volume 293.26967032 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 3.96411375 1.89026736 1.84285868 1 C C1 1 0.93156594 2.82330648 1.84285868 1 C C2 1 4.23907426 3.19098105 1.84285868 1 C C3 1 0.65660543 4.12402018 1.84285868 1 C C4 1 5.95841121 7.90455489 1.84285868 1 C C5 1 2.37594238 8.83759402 1.84285868 1 C C6 1 5.68345070 9.20526859 1.84285868 1 C C7 1 2.65090289 10.13830771 1.84285868 1 C C8 1 0.00000000 0.00000000 0.00000000 1 C C9 1 3.30750832 6.01428754 0.00000000 1 Tb Tb10 1 1.62198766 0.50043612 1.84285868 1 Tb Tb11 1 4.92949598 5.51385142 1.84285868 1 Tb Tb12 1 1.68552066 6.51472365 1.84285868 1 Tb Tb13 1 4.99302898 11.52813895 1.84285868 1 Tb Tb14 1 5.91514735 2.36488089 0.00000000 1 Tb Tb15 1 2.60763903 3.64940665 0.00000000 1 Tb Tb16 1 4.00737761 8.37916842 0.00000000 1 Tb Tb17 1 0.69986929 9.66369418 0.00000000 1 [/CIF]
C10Tb8
Pbam
55
orthorhombic
mmm
7,878.947666
false
[CIF] data_Y2BSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.27462959 _cell_length_b 3.27462959 _cell_length_c 8.10636862 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2BSb _chemical_formula_sum 'Y2 B1 Sb1' _cell_volume 86.92620349 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sb Sb1 1 0.00000000 0.00000000 4.05318431 1 Y Y2 1 1.63731480 1.63731480 6.51186294 1 Y Y3 1 1.63731480 1.63731480 1.59450568 1 [/CIF]
BSbY2
P4/mmm
123
tetragonal
4/mmm
5,929.197161
false
[CIF] data_MnReGeOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27933042 _cell_length_b 4.27933042 _cell_length_c 4.27933042 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnReGeOs _chemical_formula_sum 'Mn1 Re1 Ge1 Os1' _cell_volume 55.41310250 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 3.02594356 3.02594356 3.02594356 1 Os Os2 1 1.51297178 1.51297178 1.51297178 1 Ge Ge3 1 4.53891534 4.53891534 4.53891534 1 [/CIF]
GeMnOsRe
F-43m
216
cubic
-43m
15,103.588043
false
[CIF] data_CeMg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.83163856 _cell_length_b 3.83163856 _cell_length_c 4.05498233 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CeMg _chemical_formula_sum 'Ce1 Mg1' _cell_volume 59.53303677 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ce Ce0 1 1.91581928 1.91581928 2.02749116 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CeMg
P4/mmm
123
tetragonal
4/mmm
4,586.150962
false
[CIF] data_Dy2TaTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20578235 _cell_length_b 5.20578235 _cell_length_c 5.20578235 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Dy2TaTe _chemical_formula_sum 'Dy2 Ta1 Te1' _cell_volume 99.75691766 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Dy Dy0 1 5.52156600 5.52156600 5.52156600 1 Dy Dy1 1 1.84052200 1.84052200 1.84052200 1 Ta Ta2 1 3.68104400 3.68104400 3.68104400 1 Te Te3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Dy2TaTe
Fm-3m
225
cubic
m-3m
10,545.945384
false
[CIF] data_Ta2AlTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75805560 _cell_length_b 4.75805560 _cell_length_c 4.75805560 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2AlTe _chemical_formula_sum 'Ta2 Al1 Te1' _cell_volume 76.16817327 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ta Ta1 1 3.36445338 3.36445338 3.36445338 1 Ta Ta2 1 5.04668007 5.04668007 5.04668007 1 Te Te3 1 1.68222669 1.68222669 1.68222669 1 [/CIF]
AlTa2Te
F-43m
216
cubic
-43m
11,259.699353
false
[CIF] data_BaAsRh3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04391559 _cell_length_b 5.04391559 _cell_length_c 5.04391559 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaAsRh3 _chemical_formula_sum 'Ba1 As1 Rh3' _cell_volume 128.32268263 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 2.52195780 0.00000000 2.52195780 1 Rh Rh2 1 2.52195780 2.52195780 0.00000000 1 Rh Rh3 1 0.00000000 2.52195780 2.52195780 1 Ba Ba4 1 2.52195780 2.52195780 2.52195780 1 [/CIF]
AsBaRh3
Pm-3m
221
cubic
m-3m
6,741.465212
false
[CIF] data_V2BRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.64364896 _cell_length_b 2.64364896 _cell_length_c 6.80217218 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2BRh _chemical_formula_sum 'V2 B1 Rh1' _cell_volume 47.53956391 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 3.53571801 1 Rh Rh1 1 1.32182448 1.32182448 4.71525732 1 V V2 1 0.00000000 0.00000000 6.72659195 1 V V3 1 1.32182448 1.32182448 2.02786316 1 [/CIF]
BRhV2
P4mm
99
tetragonal
4mm
7,530.809353
false
[CIF] data_TaTi2Al _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01927179 _cell_length_b 5.01927179 _cell_length_c 5.00949854 _cell_angle_alpha 99.56908876 _cell_angle_beta 99.56908876 _cell_angle_gamma 33.40444179 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTi2Al _chemical_formula_sum 'Ta1 Ti2 Al1' _cell_volume 68.42696179 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.36520210 0.00000000 2.46172855 1 Ta Ta1 1 1.68697379 0.00000000 3.65190883 1 Ti Ti2 1 -0.86261812 -0.00000000 4.93239108 1 Ti Ti3 1 7.05937997 -0.00000000 1.28765093 1 [/CIF]
AlTaTi2
Cm
8
monoclinic
m
7,369.097743
false
[CIF] data_CaVAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87122251 _cell_length_b 4.87122251 _cell_length_c 4.87122251 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaVAg2 _chemical_formula_sum 'Ca1 V1 Ag2' _cell_volume 81.73327597 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.16671171 5.16671171 5.16671171 1 Ag Ag1 1 1.72223724 1.72223724 1.72223724 1 Ca Ca2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 3.44447447 3.44447447 3.44447447 1 [/CIF]
Ag2CaV
Fm-3m
225
cubic
m-3m
6,232.237148
false
[CIF] data_BaZr2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.44443213 _cell_length_b 3.44443213 _cell_length_c 8.84228631 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaZr2Ir _chemical_formula_sum 'Ba1 Zr2 Ir1' _cell_volume 104.90588129 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 0.00000000 0.00000000 4.42114316 1 Zr Zr2 1 1.72221607 1.72221607 5.88005240 1 Zr Zr3 1 1.72221607 1.72221607 2.96223391 1 [/CIF]
BaIrZr2
P4/mmm
123
tetragonal
4/mmm
8,104.242654
false
[CIF] data_Sr5Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.22932880 _cell_length_b 7.22932880 _cell_length_c 7.22932880 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr5Co _chemical_formula_sum 'Sr5 Co1' _cell_volume 267.16461401 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sr Sr1 1 2.55595371 2.55595371 2.55595371 1 Sr Sr2 1 6.39712945 6.39712945 6.39712945 1 Sr Sr3 1 3.82668539 6.39712945 3.82668539 1 Sr Sr4 1 3.82668539 3.82668539 6.39712945 1 Sr Sr5 1 6.39712945 3.82668539 3.82668539 1 [/CIF]
CoSr5
F-43m
216
cubic
-43m
3,089.267794
false
[CIF] data_AlCoB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.31416065 _cell_length_b 3.31416065 _cell_length_c 3.15888629 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCoB2 _chemical_formula_sum 'Al1 Co1 B2' _cell_volume 34.69613545 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 B B1 1 0.00000000 1.65708032 1.57944314 1 B B2 1 1.65708032 0.00000000 1.57944314 1 Co Co3 1 1.65708032 1.65708032 0.00000000 1 [/CIF]
AlB2Co
P4/mmm
123
tetragonal
4/mmm
5,146.656406
false
[CIF] data_ZrSbMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43222635 _cell_length_b 5.43222635 _cell_length_c 5.43222635 _cell_angle_alpha 142.12951844 _cell_angle_beta 130.25815865 _cell_angle_gamma 64.17441351 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSbMo2 _chemical_formula_sum 'Zr1 Sb1 Mo2' _cell_volume 74.14090619 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 -0.00000000 2.28466081 2.35622673 1 Mo Mo1 1 1.76275345 0.00000000 2.24617573 1 Sb Sb2 1 -0.00000000 -0.00000000 4.60240246 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mo2SbZr
Immm
71
orthorhombic
mmm
9,068.663236
false
[CIF] data_ZrSi2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.64130753 _cell_length_b 3.64130753 _cell_length_c 5.01461865 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSi2Se _chemical_formula_sum 'Zr1 Si2 Se1' _cell_volume 66.48943308 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Si Si1 1 0.00000000 1.82065376 2.50730933 1 Si Si2 1 1.82065376 0.00000000 2.50730933 1 Zr Zr3 1 1.82065376 1.82065376 0.00000000 1 [/CIF]
SeSi2Zr
P4/mmm
123
tetragonal
4/mmm
5,653.09859
false
[CIF] data_VBr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.41341327 _cell_length_b 8.41341327 _cell_length_c 3.40904324 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VBr3 _chemical_formula_sum 'V2 Br6' _cell_volume 208.98137677 _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 -0.00000000 2.97622681 2.55678243 1 Br Br1 1 1.62921861 5.79811622 2.55678243 1 Br Br2 1 -1.62921861 5.79811622 2.55678243 1 Br Br3 1 4.20670663 4.31000282 0.85226081 1 Br Br4 1 2.57748802 1.48811340 0.85226081 1 Br Br5 1 5.83592525 1.48811340 0.85226081 1 V V6 1 -0.00000000 4.85748641 0.85226081 1 V V7 1 4.20670663 2.42874321 2.55678243 1 [/CIF]
Br6V2
P6_3/mmc
194
hexagonal
6/mmm
4,618.99034
false
[CIF] data_ZnGa2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62158352 _cell_length_b 4.62158352 _cell_length_c 4.64868826 _cell_angle_alpha 99.61642324 _cell_angle_beta 99.61642324 _cell_angle_gamma 37.88132780 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnGa2Rh _chemical_formula_sum 'Zn1 Ga2 Rh1' _cell_volume 60.00935484 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.51219000 -0.00000000 3.36947757 1 Ga Ga1 1 6.40948403 -0.00000000 1.20613412 1 Rh Rh2 1 3.96083701 0.00000000 2.28780585 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ga2RhZn
C2/m
12
monoclinic
2/m
8,515.341969
false
[CIF] data_YMg2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05359217 _cell_length_b 5.05359217 _cell_length_c 5.05359217 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YMg2Hg _chemical_formula_sum 'Y1 Mg2 Hg1' _cell_volume 91.26107373 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.57342929 3.57342929 3.57342929 1 Mg Mg1 1 5.36014393 5.36014393 5.36014393 1 Mg Mg2 1 1.78671465 1.78671465 1.78671464 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgMg2Y
Fm-3m
225
cubic
m-3m
6,151.998323
false
[CIF] data_K2TaPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.58803173 _cell_length_b 4.29622619 _cell_length_c 5.99509113 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2TaPt _chemical_formula_sum 'K2 Ta1 Pt1' _cell_volume 92.41430512 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 1.79401587 2.14811310 0.00000000 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 0.00000000 2.14811310 2.99754557 1 Ta Ta3 1 1.79401587 0.00000000 2.99754557 1 [/CIF]
K2PtTa
Pmmm
47
orthorhombic
mmm
8,161.768194
false
[CIF] data_HfNb2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25729270 _cell_length_b 5.25729270 _cell_length_c 5.25729270 _cell_angle_alpha 134.41859253 _cell_angle_beta 134.41859253 _cell_angle_gamma 66.43493013 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfNb2Pt _chemical_formula_sum 'Hf1 Nb2 Pt1' _cell_volume 72.96355275 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.39823722 1 Nb Nb1 1 -0.00000000 2.03649649 2.19911861 1 Nb Nb2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 2.03649649 0.00000000 2.19911861 1 [/CIF]
HfNb2Pt
I-4m2
119
tetragonal
-42m
12,730.788638
false
[CIF] data_BaTlRuRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96789316 _cell_length_b 4.96789316 _cell_length_c 4.96789316 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTlRuRh _chemical_formula_sum 'Ba1 Tl1 Ru1 Rh1' _cell_volume 86.69653561 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.26924641 5.26924641 5.26924641 1 Rh Rh1 1 3.51283094 3.51283094 3.51283094 1 Ru Ru2 1 -0.00000000 -0.00000000 0.00000000 1 Tl Tl3 1 1.75641547 1.75641547 1.75641547 1 [/CIF]
BaRhRuTl
F-43m
216
cubic
-43m
10,451.77391
false
[CIF] data_Nb2TePt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73660440 _cell_length_b 4.73660440 _cell_length_c 4.73660440 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2TePt _chemical_formula_sum 'Nb2 Te1 Pt1' _cell_volume 75.14262181 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.02392763 5.02392763 5.02392763 1 Nb Nb1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 1.67464254 1.67464254 1.67464255 1 Te Te3 1 3.34928509 3.34928509 3.34928509 1 [/CIF]
Nb2PtTe
F-43m
216
cubic
-43m
11,237.014559
false
[CIF] data_MgTlCrBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23755589 _cell_length_b 5.23755589 _cell_length_c 5.23755589 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTlCrBi _chemical_formula_sum 'Mg1 Tl1 Cr1 Bi1' _cell_volume 101.59469115 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.70351129 3.70351129 3.70351129 1 Cr Cr1 1 5.55526694 5.55526694 5.55526694 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 1.85175564 1.85175564 1.85175564 1 [/CIF]
BiCrMgTl
F-43m
216
cubic
-43m
8,003.445069
false
[CIF] data_SrAgB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98886271 _cell_length_b 3.98886271 _cell_length_c 9.24320506 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrAgB _chemical_formula_sum 'Sr2 Ag2 B2' _cell_volume 127.36538047 _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 Ag Ag0 1 1.99443135 1.15148548 2.31080126 1 Ag Ag1 1 -0.00000000 2.30297096 6.93240379 1 B B2 1 1.99443135 1.15148548 6.93240379 1 B B3 1 -0.00000000 2.30297096 2.31080126 1 Sr Sr4 1 0.00000000 0.00000000 0.00000000 1 Sr Sr5 1 0.00000000 0.00000000 4.62160253 1 [/CIF]
Ag2B2Sr2
P6_3/mmc
194
hexagonal
6/mmm
5,379.064756
false
[CIF] data_Na2LiY _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40554001 _cell_length_b 5.40554001 _cell_length_c 5.40554001 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2LiY _chemical_formula_sum 'Na2 Li1 Y1' _cell_volume 111.68690643 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Na Na1 1 5.73344100 5.73344100 5.73344100 1 Na Na2 1 1.91114700 1.91114700 1.91114700 1 Y Y3 1 3.82229400 3.82229400 3.82229400 1 [/CIF]
LiNa2Y
Fm-3m
225
cubic
m-3m
2,108.646988
false
[CIF] data_TcB2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30680622 _cell_length_b 5.30680622 _cell_length_c 5.30680622 _cell_angle_alpha 36.29133542 _cell_angle_beta 36.29133542 _cell_angle_gamma 36.29133542 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcB2Au _chemical_formula_sum 'Tc1 B2 Au1' _cell_volume 46.85447899 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.42768379 1 B B1 1 -0.00000000 -0.00000000 11.05293313 1 B B2 1 0.00000000 0.00000000 3.80243446 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuB2Tc
R-3m
166
trigonal
-3m
11,280.810225
false
[CIF] data_BaBiP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.48102651 _cell_length_b 6.48102651 _cell_length_c 6.48102651 _cell_angle_alpha 143.58263403 _cell_angle_beta 143.58263403 _cell_angle_gamma 52.45185947 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaBiP _chemical_formula_sum 'Ba1 Bi1 P1' _cell_volume 95.37915618 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 11.62247861 1 Bi Bi1 1 -0.00000000 -0.00000000 8.31573171 1 P P2 1 0.00000000 -0.00000000 3.31722860 1 [/CIF]
BaBiP
I4mm
107
tetragonal
4mm
6,568.550757
false
[CIF] data_BaAgBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12113916 _cell_length_b 4.12113916 _cell_length_c 7.72684946 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaAgBr2 _chemical_formula_sum 'Ba1 Ag1 Br2' _cell_volume 131.23117295 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ba Ba1 1 0.00000000 0.00000000 3.86342473 1 Br Br2 1 2.06056958 2.06056958 5.63098219 1 Br Br3 1 2.06056958 2.06056958 2.09586727 1 [/CIF]
AgBaBr2
P4/mmm
123
tetragonal
4/mmm
5,124.724717
false
[CIF] data_K2MnBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30771821 _cell_length_b 4.30771821 _cell_length_c 10.37966754 _cell_angle_alpha 100.72175078 _cell_angle_beta 100.72175078 _cell_angle_gamma 57.61353199 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2MnBr _chemical_formula_sum 'K2 Mn1 Br1' _cell_volume 158.94190731 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 2.67276558 -0.00000000 5.07151394 1 K K1 1 5.14014316 0.00000000 2.93243131 1 K K2 1 0.20538799 0.00000000 7.21059656 1 Mn Mn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BrK2Mn
C2/m
12
monoclinic
2/m
2,225.712518
false
[CIF] data_SrZnBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18826954 _cell_length_b 5.18826954 _cell_length_c 4.28326070 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrZnBr2 _chemical_formula_sum 'Sr1 Zn1 Br2' _cell_volume 115.29741472 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.59413477 2.14163035 1 Br Br1 1 2.59413477 0.00000000 2.14163035 1 Sr Sr2 1 2.59413477 2.59413477 0.00000000 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Br2SrZn
P4/mmm
123
tetragonal
4/mmm
4,505.204565
false
[CIF] data_TiAl(WO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06902500 _cell_length_b 5.46647366 _cell_length_c 5.67695837 _cell_angle_alpha 73.65346180 _cell_angle_beta 85.52042995 _cell_angle_gamma 72.08013821 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiAl(WO4)2 _chemical_formula_sum 'Ti1 Al1 W2 O8' _cell_volume 143.61892340 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ti Ti0 1 0.77737529 1.88189618 4.23930597 1 Al Al1 1 3.26969443 0.76596278 1.84552593 1 W W2 1 2.69536990 3.99732445 3.21613942 1 W W3 1 5.22153501 4.74174662 5.14708902 1 O O4 1 3.50333540 4.96061910 1.75872411 1 O O5 1 2.02371601 2.12096030 2.79960509 1 O O6 1 3.37496433 5.40048116 4.59732057 1 O O7 1 1.66624053 3.32298915 5.06983622 1 O O8 1 5.67749663 4.75357416 0.33176978 1 O O9 1 4.03336704 2.16026939 1.08385428 1 O O10 1 4.53463377 3.16959227 3.82677536 1 O O11 1 6.06830489 5.42895846 3.24243327 1 [/CIF]
AlO8TiW2
P1
1
triclinic
1
6,596.463293
false
[CIF] data_TiCoCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97304824 _cell_length_b 3.97304824 _cell_length_c 3.97304824 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCoCu _chemical_formula_sum 'Ti1 Co1 Cu1' _cell_volume 44.34621065 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 1.40468467 1.40468467 1.40468467 1 Cu Cu1 1 2.80936935 2.80936935 2.80936935 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CoCuTi
F-43m
216
cubic
-43m
6,378.594867
false
[CIF] data_HfC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.29325181 _cell_length_b 3.29325181 _cell_length_c 3.29325181 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfC _chemical_formula_sum 'Hf1 C1' _cell_volume 25.25572392 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.00000000 0.00000000 0.00000000 1 Hf Hf1 1 2.32868069 2.32868069 2.32868069 1 [/CIF]
CHf
Fm-3m
225
cubic
m-3m
12,525.234106
false
[CIF] data_NaHfCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.12898893 _cell_length_b 3.17068302 _cell_length_c 6.73571041 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.04628591 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaHfCo2 _chemical_formula_sum 'Na1 Hf1 Co2' _cell_volume 66.81405722 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 1.51880290 1.58534151 2.00801750 1 Co Co1 1 1.48719115 1.58534151 4.72656987 1 Hf Hf2 1 -0.06149744 0.00000000 3.36729368 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Co2HfNa
P2/m
10
monoclinic
2/m
7,936.754559
false
[CIF] data_VBi2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61015037 _cell_length_b 5.79306042 _cell_length_c 5.79306042 _cell_angle_alpha 37.09317933 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VBi2Au _chemical_formula_sum 'V1 Bi2 Au1' _cell_volume 93.31037237 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.30507518 -0.00000000 3.55504321 1 Bi Bi1 1 0.00000000 -0.00000000 9.75410496 1 Bi Bi2 1 2.30507518 -0.00000000 6.57021000 1 V V3 1 0.00000000 0.00000000 1.83546288 1 [/CIF]
AuBi2V
Amm2
38
orthorhombic
mm2
11,849.718573
false
[CIF] data_ScFeAuSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67017404 _cell_length_b 4.67017404 _cell_length_c 4.67017404 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScFeAuSe _chemical_formula_sum 'Sc1 Fe1 Au1 Se1' _cell_volume 72.02515428 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sc Sc0 1 0.00000000 0.00000000 0.00000000 1 Fe Fe1 1 4.95346760 4.95346760 4.95346760 1 Se Se2 1 3.30231173 3.30231173 3.30231173 1 Au Au3 1 1.65115587 1.65115587 1.65115587 1 [/CIF]
AuFeScSe
F-43m
216
cubic
-43m
8,685.447549
false
[CIF] data_SrZrAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02226960 _cell_length_b 5.02226960 _cell_length_c 5.02226960 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrZrAg2 _chemical_formula_sum 'Sr1 Zr1 Ag2' _cell_volume 89.57463945 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.55128089 3.55128089 3.55128089 1 Ag Ag1 1 1.77564045 1.77564045 1.77564045 1 Sr Sr2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 5.32692134 5.32692134 5.32692134 1 [/CIF]
Ag2SrZr
F-43m
216
cubic
-43m
7,314.75084
false
[CIF] data_CaLaOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91925610 _cell_length_b 4.91925610 _cell_length_c 4.91925610 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaLaOs2 _chemical_formula_sum 'Ca1 La1 Os2' _cell_volume 84.17503427 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 3.47843935 3.47843935 3.47843935 1 Os Os2 1 5.21765903 5.21765903 5.21765902 1 Os Os3 1 1.73921967 1.73921967 1.73921967 1 [/CIF]
CaLaOs2
Fm-3m
225
cubic
m-3m
11,036.262064
false
[CIF] data_DyScAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91204298 _cell_length_b 4.91204298 _cell_length_c 4.91204298 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural DyScAs2 _chemical_formula_sum 'Dy1 Sc1 As2' _cell_volume 83.80529842 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.21000835 5.21000835 5.21000835 1 As As1 1 1.73666945 1.73666945 1.73666945 1 Dy Dy2 1 3.47333890 3.47333890 3.47333890 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As2DySc
Fm-3m
225
cubic
m-3m
7,079.613642
false
[CIF] data_CaHf2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05623039 _cell_length_b 4.57388217 _cell_length_c 5.27775541 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaHf2Te _chemical_formula_sum 'Ca1 Hf2 Te1' _cell_volume 97.91671760 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 2.28694109 2.63887771 1 Hf Hf2 1 2.02811519 0.00000000 2.63887771 1 Te Te3 1 2.02811519 2.28694109 0.00000000 1 [/CIF]
CaHf2Te
Pmmm
47
orthorhombic
mmm
8,897.511344
false
[CIF] data_In2SiCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23216240 _cell_length_b 4.23216240 _cell_length_c 7.17363563 _cell_angle_alpha 93.38282401 _cell_angle_beta 93.38282401 _cell_angle_gamma 61.38937730 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2SiCl _chemical_formula_sum 'In2 Si1 Cl1' _cell_volume 112.53334343 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.39310391 0.00000000 3.57836299 1 In In1 1 4.82790098 -0.00000000 1.29500649 1 In In2 1 1.95830685 -0.00000000 5.86171949 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
ClIn2Si
C2/m
12
monoclinic
2/m
4,326.075239
false
[CIF] data_Sc4MoP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54966679 _cell_length_b 5.54966679 _cell_length_c 5.54966679 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc4MoP _chemical_formula_sum 'Sc4 Mo1 P1' _cell_volume 120.86087294 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.88631053 5.88631053 5.88631053 1 P P1 1 0.00000000 0.00000000 0.00000000 1 Sc Sc2 1 4.88894524 4.88894524 2.95946880 1 Sc Sc3 1 4.88894524 2.95946880 4.88894524 1 Sc Sc4 1 2.95946880 4.88894524 4.88894524 1 Sc Sc5 1 2.95946880 2.95946880 2.95946880 1 [/CIF]
MoPSc4
F-43m
216
cubic
-43m
4,214.620091
false
[CIF] data_HfBSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26765582 _cell_length_b 4.26765582 _cell_length_c 4.26765582 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfBSe _chemical_formula_sum 'Hf1 B1 Se1' _cell_volume 54.96081486 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 3.01768837 3.01768837 3.01768837 1 Se Se2 1 4.52653256 4.52653256 4.52653256 1 [/CIF]
BHfSe
F-43m
216
cubic
-43m
8,105.008481
false
[CIF] data_TbMn2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.38493100 _cell_length_b 8.59228600 _cell_length_c 5.79328000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbMn2O5 _chemical_formula_sum 'Tb4 Mn8 O20' _cell_volume 367.60354049 _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 Tb Tb0 1 2.67313086 5.76377419 2.89664000 1 Tb Tb1 1 4.71180014 2.82851181 2.89664000 1 Tb Tb2 1 6.36559636 7.12465481 2.89664000 1 Tb Tb3 1 1.01933464 1.46763119 2.89664000 1 Mn Mn4 1 0.65561940 7.29297770 0.00000000 1 Mn Mn5 1 6.72931160 1.29930830 0.00000000 1 Mn Mn6 1 4.34808490 5.59545130 0.00000000 1 Mn Mn7 1 3.03684610 2.99683470 0.00000000 1 Mn Mn8 1 3.69246550 0.00000000 4.36812153 1 Mn Mn9 1 0.00000000 4.29614300 1.42515847 1 Mn Mn10 1 3.69246550 0.00000000 1.42515847 1 Mn Mn11 1 0.00000000 4.29614300 4.36812153 1 O O12 1 6.60319174 2.51815844 4.29341139 1 O O13 1 0.78173926 6.07412756 4.29341139 1 O O14 1 2.91072624 1.77798456 1.49986861 1 O O15 1 4.47420476 6.81430144 1.49986861 1 O O16 1 0.78173926 6.07412756 1.49986861 1 O O17 1 6.60319174 2.51815844 1.49986861 1 O O18 1 4.47420476 6.81430144 4.29341139 1 O O19 1 2.91072624 1.77798456 4.29341139 1 O O20 1 2.57668366 7.99931516 0.00000000 1 O O21 1 4.80824734 0.59297084 0.00000000 1 O O22 1 6.26914916 4.88911384 0.00000000 1 O O23 1 1.11578184 3.70317216 0.00000000 1 O O24 1 0.00000000 0.00000000 4.46695489 1 O O25 1 3.69246550 4.29614300 1.32632511 1 O O26 1 0.00000000 0.00000000 1.32632511 1 O O27 1 3.69246550 4.29614300 4.46695489 1 O O28 1 1.20426070 3.80908068 2.89664000 1 O O29 1 6.18067030 4.78320532 2.89664000 1 O O30 1 4.89672620 0.48706232 2.89664000 1 O O31 1 2.48820480 8.10522368 2.89664000 1 [/CIF]
Mn8O20Tb4
Pbam
55
orthorhombic
mmm
6,302.370594
false