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_ZrIr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.81599917 _cell_length_b 2.81599917 _cell_length_c 8.07751701 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrIr3 _chemical_formula_sum 'Zr1 Ir3' _cell_volume 64.05350912 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.40799959 1.40799959 5.91546401 1 Ir Ir1 1 1.40799959 1.40799959 2.16205300 1 Ir Ir2 1 0.00000000 0.00000000 4.03875850 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ir3Zr
P4/mmm
123
tetragonal
4/mmm
17,315.899744
false
[CIF] data_LiLa2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.68633769 _cell_length_b 4.51633840 _cell_length_c 7.42782716 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiLa2Pb _chemical_formula_sum 'Li1 La2 Pb1' _cell_volume 123.66402603 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.84316884 2.25816920 5.54284094 1 La La1 1 1.84316884 2.25816920 1.88498622 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Pb Pb3 1 0.00000000 0.00000000 3.71391358 1 [/CIF]
La2LiPb
Pmmm
47
orthorhombic
mmm
6,605.84522
false
[CIF] data_TlCrIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.06899072 _cell_length_b 7.06899072 _cell_length_c 7.06899072 _cell_angle_alpha 155.19059479 _cell_angle_beta 155.19059479 _cell_angle_gamma 35.37136296 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlCrIn _chemical_formula_sum 'Tl1 Cr1 In1' _cell_volume 62.12074195 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 13.39319897 1 In In1 1 0.00000000 -0.00000000 4.85789677 1 Tl Tl2 1 0.00000000 0.00000000 8.68847250 1 [/CIF]
CrInTl
I4mm
107
tetragonal
4mm
9,922.415038
false
[CIF] data_HgRh2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50489888 _cell_length_b 4.50489888 _cell_length_c 4.50489888 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgRh2W _chemical_formula_sum 'Hg1 Rh2 W1' _cell_volume 64.64577472 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.18544455 3.18544455 3.18544455 1 Rh Rh1 1 4.77816683 4.77816683 4.77816683 1 Rh Rh2 1 1.59272228 1.59272228 1.59272228 1 W W3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgRh2W
Fm-3m
225
cubic
m-3m
15,161.36582
false
[CIF] data_Ge2RhPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80128766 _cell_length_b 4.80128766 _cell_length_c 4.80128766 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ge2RhPb _chemical_formula_sum 'Ge2 Rh1 Pb1' _cell_volume 78.26330450 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 1.69751153 1.69751153 1.69751153 1 Ge Ge1 1 5.09253459 5.09253459 5.09253459 1 Pb Pb2 1 3.39502306 3.39502306 3.39502306 1 Rh Rh3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ge2PbRh
Fm-3m
225
cubic
m-3m
9,662.068551
false
[CIF] data_CaCr2Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89686643 _cell_length_b 4.89686643 _cell_length_c 5.26180182 _cell_angle_alpha 105.83039633 _cell_angle_beta 105.83039633 _cell_angle_gamma 34.71758162 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCr2Re _chemical_formula_sum 'Ca1 Cr2 Re1' _cell_volume 68.86277970 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 1.23319242 0.00000000 3.80577505 1 Cr Cr1 1 0.26434845 0.00000000 0.48273360 1 Cr Cr2 1 6.52295413 0.00000000 1.25255303 1 Re Re3 1 3.74522775 0.00000000 2.02241250 1 [/CIF]
CaCr2Re
Cm
8
monoclinic
m
7,964.218055
false
[CIF] data_BaYMnRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94507861 _cell_length_b 4.94507861 _cell_length_c 4.94507861 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaYMnRe _chemical_formula_sum 'Ba1 Y1 Mn1 Re1' _cell_volume 85.50757738 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.74834931 1.74834931 1.74834931 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 5.24504793 5.24504793 5.24504793 1 Y Y3 1 3.49669862 3.49669862 3.49669862 1 [/CIF]
BaMnReY
F-43m
216
cubic
-43m
9,076.379864
false
[CIF] data_LaMo2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.77351672 _cell_length_b 5.77351672 _cell_length_c 5.77351672 _cell_angle_alpha 139.79871397 _cell_angle_beta 139.79871397 _cell_angle_gamma 58.15905053 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaMo2P _chemical_formula_sum 'La1 Mo2 P1' _cell_volume 79.46020663 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 0.00000000 0.00000000 5.04574161 1 Mo Mo1 1 -0.00000000 1.98418584 2.52287081 1 Mo Mo2 1 1.98418584 0.00000000 2.52287081 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
LaMo2P
I4/mmm
139
tetragonal
4/mmm
7,560.787777
false
[CIF] data_Na4LaNb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.27990309 _cell_length_b 6.27990309 _cell_length_c 6.27990309 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na4LaNb _chemical_formula_sum 'Na4 La1 Nb1' _cell_volume 175.12325777 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 2.22028103 2.22028103 2.22028103 1 Na Na1 1 3.31764084 3.31764084 5.56348328 1 Na Na2 1 3.31764084 5.56348328 3.31764084 1 Na Na3 1 5.56348328 3.31764084 3.31764084 1 Na Na4 1 5.56348328 5.56348328 5.56348328 1 Nb Nb5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
LaNa4Nb
F-43m
216
cubic
-43m
3,070.033529
false
[CIF] data_K2GaSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60416247 _cell_length_b 4.60416247 _cell_length_c 5.40453325 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2GaSi _chemical_formula_sum 'K2 Ga1 Si1' _cell_volume 114.56698232 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.30208124 2.30208124 0.00000000 1 K K1 1 2.30208124 0.00000000 2.70226663 1 K K2 1 0.00000000 2.30208124 2.70226663 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GaK2Si
P4/mmm
123
tetragonal
4/mmm
2,551.025946
false
[CIF] data_La2TaBe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.27658784 _cell_length_b 10.27658784 _cell_length_c 10.27658784 _cell_angle_alpha 18.70479966 _cell_angle_beta 18.70479966 _cell_angle_gamma 18.70479966 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2TaBe _chemical_formula_sum 'La2 Ta1 Be1' _cell_volume 97.52004786 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 0.00000000 0.00000000 7.73293074 1 La La2 1 0.00000000 -0.00000000 22.54919459 1 Ta Ta3 1 0.00000000 0.00000000 15.14106267 1 [/CIF]
BeLa2Ta
R-3m
166
trigonal
-3m
7,965.04965
false
[CIF] data_Sr4TiZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.12886330 _cell_length_b 7.12886330 _cell_length_c 7.12886330 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr4TiZn _chemical_formula_sum 'Sr4 Ti1 Zn1' _cell_volume 256.18037828 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sr Sr0 1 3.77582953 3.77582953 6.30590563 1 Sr Sr1 1 3.77582953 6.30590563 3.77582953 1 Sr Sr2 1 6.30590563 3.77582953 3.77582953 1 Sr Sr3 1 6.30590563 6.30590563 6.30590563 1 Ti Ti4 1 0.00000000 0.00000000 0.00000000 1 Zn Zn5 1 2.52043379 2.52043379 2.52043379 1 [/CIF]
Sr4TiZn
F-43m
216
cubic
-43m
3,005.838327
false
[CIF] data_AgAsAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.96266762 _cell_length_b 4.18947495 _cell_length_c 5.92192154 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgAsAu2 _chemical_formula_sum 'Ag1 As1 Au2' _cell_volume 73.50301913 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.48133381 2.09473748 2.95891119 1 As As1 1 0.00000000 0.00000000 4.44187511 1 Au Au2 1 1.48133381 2.09473748 5.92131105 1 Au Au3 1 0.00000000 0.00000000 1.48270649 1 [/CIF]
AgAsAu2
Pmm2
25
orthorhombic
mm2
13,029.001808
false
[CIF] data_BaNbCrRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76847586 _cell_length_b 4.76847586 _cell_length_c 4.76847586 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNbCrRu _chemical_formula_sum 'Ba1 Nb1 Cr1 Ru1' _cell_volume 76.66970085 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.68591081 1.68591081 1.68591081 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 5.05773243 5.05773243 5.05773243 1 Ru Ru3 1 3.37182162 3.37182162 3.37182162 1 [/CIF]
BaCrNbRu
F-43m
216
cubic
-43m
8,301.633549
false
[CIF] data_Sc2VIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97777369 _cell_length_b 4.97777369 _cell_length_c 4.97777369 _cell_angle_alpha 123.93825416 _cell_angle_beta 122.36583987 _cell_angle_gamma 84.62796096 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2VIn _chemical_formula_sum 'Sc2 V1 In1' _cell_volume 82.64064785 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 0.00000000 -0.00000000 3.68089865 1 Sc Sc1 1 0.00000000 2.39936100 1.85837979 1 Sc Sc2 1 2.33929109 -0.00000000 1.82251886 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InSc2V
Immm
71
orthorhombic
mmm
5,137.329302
false
[CIF] data_MgTi2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21393575 _cell_length_b 5.21393575 _cell_length_c 3.16017771 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.69878295 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTi2Bi _chemical_formula_sum 'Mg1 Ti2 Bi1' _cell_volume 80.88218881 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.00180717 -0.00000000 0.00000000 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Ti Ti2 1 1.50090358 2.13156513 1.58008886 1 Ti Ti3 1 1.50090358 -2.13156514 1.58008886 1 [/CIF]
BiMgTi2
Cmmm
65
orthorhombic
mmm
6,754.881085
false
[CIF] data_KHfCd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.07672714 _cell_length_b 5.12542640 _cell_length_c 6.92104803 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KHfCd2 _chemical_formula_sum 'K1 Hf1 Cd2' _cell_volume 109.14173343 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.53836357 2.56271320 0.01302514 1 Cd Cd1 1 0.00000000 0.00000000 2.02493802 1 Hf Hf2 1 1.53836357 2.56271320 2.95480165 1 K K3 1 0.00000000 0.00000000 5.38880724 1 [/CIF]
Cd2HfK
Pmm2
25
orthorhombic
mm2
6,731.060278
false
[CIF] data_Mn2MoPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61689384 _cell_length_b 4.61689384 _cell_length_c 5.22877584 _cell_angle_alpha 98.66059842 _cell_angle_beta 98.66059842 _cell_angle_gamma 39.04728841 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2MoPb _chemical_formula_sum 'Mn2 Mo1 Pb1' _cell_volume 69.31051205 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.29484366 0.00000000 1.06689408 1 Mn Mn1 1 1.57264904 0.00000000 4.09471681 1 Mo Mo2 1 0.00000000 0.00000000 0.00000000 1 Pb Pb3 1 3.93374635 -0.00000000 2.58080545 1 [/CIF]
Mn2MoPb
C2/m
12
monoclinic
2/m
9,895.505646
false
[CIF] data_MnTcNi6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.21705661 _cell_length_b 6.21705661 _cell_length_c 10.15147181 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.40915364 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnTcNi6 _chemical_formula_sum 'Mn4 Tc4 Ni24' _cell_volume 370.07388691 _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 Mn Mn0 1 3.59216824 -2.54014317 0.00000000 1 Mn Mn1 1 3.59216824 2.54014317 0.00000000 1 Mn Mn2 1 0.00000000 0.00000000 7.64059388 1 Mn Mn3 1 0.00000000 0.00000000 2.51087793 1 Ni Ni4 1 3.59216824 -2.52861922 7.59866048 1 Ni Ni5 1 1.79997731 -1.26659125 8.88098963 1 Ni Ni6 1 5.38435917 1.26659125 8.88098963 1 Ni Ni7 1 3.59216824 2.52861922 7.59866048 1 Ni Ni8 1 5.38435917 -1.26659125 8.88098963 1 Ni Ni9 1 1.79997731 1.26659125 8.88098963 1 Ni Ni10 1 0.00000000 0.00000000 5.07573591 1 Ni Ni11 1 5.38229583 1.27000948 6.34588349 1 Ni Ni12 1 5.38229583 -1.27000948 6.34588349 1 Ni Ni13 1 3.59216824 -2.52861922 2.55281133 1 Ni Ni14 1 1.80204065 -1.27000948 3.80558832 1 Ni Ni15 1 5.38229583 1.27000948 3.80558832 1 Ni Ni16 1 3.59216824 2.52861922 2.55281133 1 Ni Ni17 1 5.38229583 -1.27000948 3.80558832 1 Ni Ni18 1 1.80204065 1.27000948 3.80558832 1 Ni Ni19 1 0.00000000 0.00000000 0.00000000 1 Ni Ni20 1 5.38435917 1.26659125 1.27048218 1 Ni Ni21 1 5.38435917 -1.26659125 1.27048218 1 Ni Ni22 1 3.59216824 0.00000000 5.07573591 1 Ni Ni23 1 1.80204065 1.27000948 6.34588349 1 Ni Ni24 1 1.80204065 -1.27000948 6.34588349 1 Ni Ni25 1 3.59216824 0.00000000 0.00000000 1 Ni Ni26 1 1.79997731 1.26659125 1.27048218 1 Ni Ni27 1 1.79997731 -1.26659125 1.27048218 1 Tc Tc28 1 3.59216824 -2.54054465 5.07573591 1 Tc Tc29 1 3.59216824 2.54054465 5.07573591 1 Tc Tc30 1 3.59216824 0.00000000 7.65634734 1 Tc Tc31 1 3.59216824 0.00000000 2.49512447 1 [/CIF]
Mn4Ni24Tc4
Cmmm
65
orthorhombic
mmm
9,081.867277
false
[CIF] data_AlGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06879998 _cell_length_b 5.06879998 _cell_length_c 5.06879998 _cell_angle_alpha 33.75612636 _cell_angle_beta 33.75612636 _cell_angle_gamma 33.75612636 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlGe _chemical_formula_sum 'Al1 Ge1' _cell_volume 35.82759766 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 -0.00000000 -0.00000000 7.16319418 1 [/CIF]
AlGe
R-3m
166
trigonal
-3m
4,617.263442
false
[CIF] data_Be2AlCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.53345163 _cell_length_b 3.53345163 _cell_length_c 3.39540063 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2AlCr _chemical_formula_sum 'Be2 Al1 Cr1' _cell_volume 42.39252901 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Be Be1 1 0.00000000 1.76672582 1.69770032 1 Be Be2 1 1.76672582 0.00000000 1.69770032 1 Cr Cr3 1 1.76672582 1.76672582 0.00000000 1 [/CIF]
AlBe2Cr
P4/mmm
123
tetragonal
4/mmm
3,799.622684
false
[CIF] data_Co2SbRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60763426 _cell_length_b 4.60763426 _cell_length_c 4.55593361 _cell_angle_alpha 102.94918023 _cell_angle_beta 102.94918023 _cell_angle_gamma 37.27164359 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2SbRh _chemical_formula_sum 'Co2 Sb1 Rh1' _cell_volume 56.91392169 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.35270839 0.00000000 3.39518639 1 Co Co1 1 6.30197826 -0.00000000 1.03151772 1 Rh Rh2 1 0.00000000 0.00000000 0.00000000 1 Sb Sb3 1 3.82734332 0.00000000 2.21335206 1 [/CIF]
Co2RhSb
C2/m
12
monoclinic
2/m
9,993.821687
false
[CIF] data_YSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.34374637 _cell_length_b 6.34374637 _cell_length_c 5.83316303 _cell_angle_alpha 99.23360818 _cell_angle_beta 99.23360818 _cell_angle_gamma 37.26850639 _symmetry_Int_Tables_number 1 _chemical_formula_structural YSi _chemical_formula_sum 'Y3 Si3' _cell_volume 140.09697800 _cell_formula_units_Z 3 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Si Si0 1 7.95060574 -0.00000000 3.42214857 1 Si Si1 1 3.08400578 0.00000000 2.32677288 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 -0.49388593 0.00000000 2.87446072 1 Y Y4 1 7.78992713 0.00000000 0.49410370 1 Y Y5 1 3.24468440 -0.00000000 5.25481774 1 [/CIF]
Si3Y3
C2/m
12
monoclinic
2/m
4,160.019222
false
[CIF] data_VAsO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.80517900 _cell_length_b 3.80517900 _cell_length_c 3.80517900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VAsO3 _chemical_formula_sum 'V1 As1 O3' _cell_volume 55.09666019 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.90258950 1.90258950 1.90258950 1 O O1 1 0.00000000 0.00000000 1.90258950 1 O O2 1 0.00000000 1.90258950 0.00000000 1 O O3 1 1.90258950 0.00000000 0.00000000 1 V V4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsO3V
Pm-3m
221
cubic
m-3m
5,239.945213
false
[CIF] data_RbCr(SO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90082033 _cell_length_b 4.90082033 _cell_length_c 17.16538900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbCr(SO4)2 _chemical_formula_sum 'Rb2 Cr2 S4 O16' _cell_volume 357.04408568 _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 Rb Rb0 1 0.00000000 0.00000000 12.87404175 1 Rb Rb1 1 0.00000000 0.00000000 4.29134725 1 Cr Cr2 1 0.00000000 0.00000000 0.00000000 1 Cr Cr3 1 0.00000000 0.00000000 8.58269450 1 S S4 1 0.00000000 2.82948994 15.46481391 1 S S5 1 2.45041016 1.41474497 10.28326959 1 S S6 1 -0.00000000 2.82948994 6.88211941 1 S S7 1 2.45041016 1.41474497 1.70057509 1 O O8 1 1.05029971 1.22274710 1.20361991 1 O O9 1 3.31674043 0.29821268 1.20361991 1 O O10 1 0.53378020 1.52095978 7.37907459 1 O O11 1 2.98419036 2.72327513 1.20361991 1 O O12 1 -1.40011046 3.02148781 7.37907459 1 O O13 1 0.86633026 3.94602223 7.37907459 1 O O14 1 0.00000000 2.82948994 14.00227127 1 O O15 1 2.45041016 1.41474497 11.74581223 1 O O16 1 -0.53378020 1.52095978 15.96176909 1 O O17 1 1.40011046 3.02148781 15.96176909 1 O O18 1 1.58407990 0.29821268 9.78631441 1 O O19 1 -0.86633026 3.94602223 15.96176909 1 O O20 1 1.91662997 2.72327513 9.78631441 1 O O21 1 3.85052062 1.22274710 9.78631441 1 O O22 1 -0.00000000 2.82948994 5.41957677 1 O O23 1 2.45041016 1.41474497 3.16311773 1 [/CIF]
Cr2O16Rb2S4
P-3c1
165
trigonal
-3m
3,065.703217
false
[CIF] data_SnB2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.51546310 _cell_length_b 3.51546310 _cell_length_c 6.20699102 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnB2Te _chemical_formula_sum 'Sn1 B2 Te1' _cell_volume 76.70897939 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 1.75773155 1.75773155 3.93266019 1 B B1 1 1.75773155 1.75773155 2.27433083 1 Sn Sn2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 0.00000000 0.00000000 3.10349551 1 [/CIF]
B2SnTe
P4/mmm
123
tetragonal
4/mmm
5,800.11639
false
[CIF] data_Ga2SiAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66544633 _cell_length_b 4.66544633 _cell_length_c 4.66544633 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2SiAg _chemical_formula_sum 'Ga2 Si1 Ag1' _cell_volume 71.80663853 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.29896874 3.29896874 3.29896874 1 Ga Ga1 1 1.64948437 1.64948437 1.64948437 1 Ga Ga2 1 4.94845311 4.94845311 4.94845311 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgGa2Si
Fm-3m
225
cubic
m-3m
6,368.658527
false
[CIF] data_SiPd2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82712253 _cell_length_b 2.82712253 _cell_length_c 7.11527834 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiPd2Ru _chemical_formula_sum 'Si1 Pd2 Ru1' _cell_volume 56.86972877 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pd Pd0 1 1.41356127 1.41356127 1.55080338 1 Pd Pd1 1 1.41356127 1.41356127 5.56447496 1 Ru Ru2 1 0.00000000 0.00000000 3.55763917 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Pd2RuSi
P4/mmm
123
tetragonal
4/mmm
9,985.92574
false
[CIF] data_TcRu2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.71748677 _cell_length_b 2.71748677 _cell_length_c 7.84079343 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcRu2Pt _chemical_formula_sum 'Tc1 Ru2 Pt1' _cell_volume 57.90217669 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pt Pt0 1 0.00000000 0.00000000 3.92039672 1 Ru Ru1 1 1.35874339 1.35874339 5.94752126 1 Ru Ru2 1 1.35874339 1.35874339 1.89327217 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PtRu2Tc
P4/mmm
123
tetragonal
4/mmm
14,228.850013
false
[CIF] data_CaGaMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.21191038 _cell_length_b 7.21191038 _cell_length_c 7.21191038 _cell_angle_alpha 156.89904561 _cell_angle_beta 156.89904561 _cell_angle_gamma 32.89893889 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaGaMo _chemical_formula_sum 'Ca1 Ga1 Mo1' _cell_volume 57.69318750 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 13.78342863 1 Ga Ga1 1 0.00000000 -0.00000000 4.45019147 1 Mo Mo2 1 0.00000000 -0.00000000 9.43328290 1 [/CIF]
CaGaMo
I4mm
107
tetragonal
4mm
5,922.26212
false
[CIF] data_AsPdPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43238756 _cell_length_b 5.43238756 _cell_length_c 5.43238756 _cell_angle_alpha 130.42549113 _cell_angle_beta 126.87340608 _cell_angle_gamma 75.61078077 _symmetry_Int_Tables_number 1 _chemical_formula_structural AsPdPb2 _chemical_formula_sum 'As1 Pd1 Pb2' _cell_volume 94.98924771 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 0.00000000 0.00000000 0.00000000 1 Pb Pb1 1 -0.00000000 2.42928881 2.03935243 1 Pb Pb2 1 2.27752922 -0.00000000 2.25276257 1 Pd Pd3 1 0.00000000 0.00000000 4.29211500 1 [/CIF]
AsPb2Pd
Immm
71
orthorhombic
mmm
10,414.359775
false
[CIF] data_Na2CdTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.58954121 _cell_length_b 3.58954121 _cell_length_c 8.46699458 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2CdTe _chemical_formula_sum 'Na2 Cd1 Te1' _cell_volume 109.09558313 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 0.00000000 0.00000000 1 Na Na1 1 1.79477060 1.79477060 2.19219566 1 Na Na2 1 1.79477060 1.79477060 6.27479892 1 Te Te3 1 0.00000000 0.00000000 4.23349729 1 [/CIF]
CdNa2Te
P4/mmm
123
tetragonal
4/mmm
4,353.13273
false
[CIF] data_SrBiW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.36281519 _cell_length_b 3.36281519 _cell_length_c 8.55529888 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrBiW2 _chemical_formula_sum 'Sr1 Bi1 W2' _cell_volume 96.74781977 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.68140759 1.68140759 3.80737227 1 Sr Sr1 1 0.00000000 0.00000000 6.70347175 1 W W2 1 1.68140759 1.68140759 0.55358747 1 W W3 1 0.00000000 0.00000000 1.76851682 1 [/CIF]
BiSrW2
P4mm
99
tetragonal
4mm
11,401.496625
false
[CIF] data_NaReBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.94847237 _cell_length_b 6.94847237 _cell_length_c 6.94847237 _cell_angle_alpha 155.11192150 _cell_angle_beta 155.11192150 _cell_angle_gamma 35.48542633 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaReBr _chemical_formula_sum 'Na1 Re1 Br1' _cell_volume 59.34732022 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.23447782 1 Na Na1 1 0.00000000 -0.00000000 4.34540390 1 Re Re2 1 0.00000000 0.00000000 8.65604865 1 [/CIF]
BrNaRe
I4mm
107
tetragonal
4mm
8,089.044624
false
[CIF] data_MoPt2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.76446819 _cell_length_b 3.94947310 _cell_length_c 5.57157273 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MoPt2Rh _chemical_formula_sum 'Mo1 Pt2 Rh1' _cell_volume 60.83150499 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 0.00000000 0.00000000 4.13902845 1 Pt Pt1 1 1.38223409 1.97473655 5.53769701 1 Pt Pt2 1 0.00000000 0.00000000 1.41628109 1 Rh Rh3 1 1.38223409 1.97473655 2.83592528 1 [/CIF]
MoPt2Rh
Pmm2
25
orthorhombic
mm2
16,079.436673
false
[CIF] data_CrRe2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.07918021 _cell_length_b 9.07918021 _cell_length_c 9.07918021 _cell_angle_alpha 17.31545170 _cell_angle_beta 17.31545170 _cell_angle_gamma 17.31545170 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrRe2Pt _chemical_formula_sum 'Cr1 Re2 Pt1' _cell_volume 57.85264044 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 -0.00000000 -0.00000000 -0.00000000 1 Pt Pt1 1 -0.00000000 -0.00000000 13.41146080 1 Re Re2 1 -0.00000000 -0.00000000 6.83496082 1 Re Re3 1 -0.00000000 -0.00000000 19.98796078 1 [/CIF]
CrPtRe2
R-3m
166
trigonal
-3m
17,781.282693
false
[CIF] data_Hf2MnMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.61269818 _cell_length_b 8.61269818 _cell_length_c 8.61269818 _cell_angle_alpha 20.71106572 _cell_angle_beta 20.71106572 _cell_angle_gamma 20.71106572 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2MnMo _chemical_formula_sum 'Hf2 Mn1 Mo1' _cell_volume 69.95375455 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.47776085 1 Hf Hf1 1 0.00000000 -0.00000000 18.79761690 1 Mn Mn2 1 0.00000000 0.00000000 -0.00000000 1 Mo Mo3 1 -0.00000000 -0.00000000 12.63768887 1 [/CIF]
Hf2MnMo
R-3m
166
trigonal
-3m
12,055.840889
false
[CIF] data_CaMgP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90423894 _cell_length_b 5.33918810 _cell_length_c 3.04344334 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMgP2 _chemical_formula_sum 'Ca1 Mg1 P2' _cell_volume 79.69151143 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.45211947 2.66959405 1.70114087 1 Mg Mg1 1 0.00000000 0.00000000 2.24980782 1 P P2 1 0.00000000 2.66959405 0.08201623 1 P P3 1 2.45211947 0.00000000 0.53220009 1 [/CIF]
CaMgP2
Pmm2
25
orthorhombic
mm2
2,632.361164
false
[CIF] data_TlAg2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.85237984 _cell_length_b 9.85237984 _cell_length_c 9.85237984 _cell_angle_alpha 17.92673038 _cell_angle_beta 17.92673038 _cell_angle_gamma 17.92673038 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlAg2Pd _chemical_formula_sum 'Tl1 Ag2 Pd1' _cell_volume 79.10805795 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 21.58567264 1 Ag Ag1 1 0.00000000 0.00000000 7.48920848 1 Pd Pd2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 0.00000000 -0.00000000 14.53744056 1 [/CIF]
Ag2PdTl
R-3m
166
trigonal
-3m
11,052.473851
false
[CIF] data_HfMnZnIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43976483 _cell_length_b 4.43976483 _cell_length_c 4.43976483 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMnZnIr _chemical_formula_sum 'Hf1 Mn1 Zn1 Ir1' _cell_volume 61.88207996 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.70908173 4.70908173 4.70908173 1 Ir Ir1 1 1.56969391 1.56969391 1.56969391 1 Mn Mn2 1 0.00000000 -0.00000000 0.00000000 1 Zn Zn3 1 3.13938782 3.13938782 3.13938782 1 [/CIF]
HfIrMnZn
F-43m
216
cubic
-43m
13,176.129025
false
[CIF] data_HfScCo6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.41337069 _cell_length_b 6.41337069 _cell_length_c 10.47225923 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.47652774 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfScCo6 _chemical_formula_sum 'Hf4 Sc4 Co24' _cell_volume 406.09026965 _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 Co Co0 1 3.70251877 -2.61688102 7.85251478 1 Co Co1 1 1.85235555 -1.30859274 9.16256582 1 Co Co2 1 5.55268199 1.30859274 9.16256582 1 Co Co3 1 3.70251877 2.61688102 7.85251478 1 Co Co4 1 5.55268199 -1.30859274 9.16256582 1 Co Co5 1 1.85235555 1.30859274 9.16256582 1 Co Co6 1 0.00000000 0.00000000 5.23612962 1 Co Co7 1 5.55264470 1.30964285 6.54421187 1 Co Co8 1 5.55264470 -1.30964285 6.54421187 1 Co Co9 1 3.70251877 -2.61688102 2.61974445 1 Co Co10 1 1.85239284 -1.30964285 3.92804736 1 Co Co11 1 5.55264470 1.30964285 3.92804736 1 Co Co12 1 3.70251877 2.61688102 2.61974445 1 Co Co13 1 5.55264470 -1.30964285 3.92804736 1 Co Co14 1 1.85239284 1.30964285 3.92804736 1 Co Co15 1 0.00000000 0.00000000 0.00000000 1 Co Co16 1 5.55268199 1.30859274 1.30969341 1 Co Co17 1 5.55268199 -1.30859274 1.30969341 1 Co Co18 1 3.70251877 0.00000000 5.23612962 1 Co Co19 1 1.85239284 1.30964285 6.54421187 1 Co Co20 1 1.85239284 -1.30964285 6.54421187 1 Co Co21 1 3.70251877 0.00000000 0.00000000 1 Co Co22 1 1.85235555 1.30859274 1.30969341 1 Co Co23 1 1.85235555 -1.30859274 1.30969341 1 Hf Hf24 1 3.70251877 -2.61688249 5.23612962 1 Hf Hf25 1 3.70251877 2.61688249 5.23612962 1 Hf Hf26 1 3.70251877 0.00000000 7.85247561 1 Hf Hf27 1 3.70251877 0.00000000 2.61978362 1 Sc Sc28 1 3.70251877 -2.61697298 0.00000000 1 Sc Sc29 1 3.70251877 2.61697298 0.00000000 1 Sc Sc30 1 0.00000000 0.00000000 7.85184382 1 Sc Sc31 1 0.00000000 0.00000000 2.62041541 1 [/CIF]
Co24Hf4Sc4
Cmmm
65
orthorhombic
mmm
9,438.353721
false
[CIF] data_Li2MgPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43594366 _cell_length_b 4.43594366 _cell_length_c 4.43594366 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2MgPd _chemical_formula_sum 'Li2 Mg1 Pd1' _cell_volume 61.72243711 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.56834292 1.56834292 1.56834292 1 Li Li1 1 4.70502876 4.70502876 4.70502876 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 3.13668584 3.13668584 3.13668584 1 [/CIF]
Li2MgPd
Fm-3m
225
cubic
m-3m
3,890.409777
false
[CIF] data_NaCaCuRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93524023 _cell_length_b 4.93524023 _cell_length_c 4.93524023 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCaCuRe _chemical_formula_sum 'Na1 Ca1 Cu1 Re1' _cell_volume 84.99823218 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.48974183 3.48974183 3.48974183 1 Cu Cu1 1 1.74487091 1.74487091 1.74487092 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Re Re3 1 5.23461274 5.23461275 5.23461274 1 [/CIF]
CaCuNaRe
F-43m
216
cubic
-43m
6,111.316611
false
[CIF] data_Sr2MnSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.01514613 _cell_length_b 10.01514613 _cell_length_c 10.01514613 _cell_angle_alpha 21.48897898 _cell_angle_beta 21.48897898 _cell_angle_gamma 21.48897898 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2MnSb _chemical_formula_sum 'Sr2 Mn1 Sb1' _cell_volume 118.11048912 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sb Sb1 1 0.00000000 0.00000000 14.67050409 1 Sr Sr2 1 0.00000000 -0.00000000 7.57835609 1 Sr Sr3 1 0.00000000 0.00000000 21.76265209 1 [/CIF]
MnSbSr2
R-3m
166
trigonal
-3m
4,947.967592
false
[CIF] data_Co2OsSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.07026615 _cell_length_b 8.07026615 _cell_length_c 8.07026615 _cell_angle_alpha 19.75864590 _cell_angle_beta 19.75864590 _cell_angle_gamma 19.75864590 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2OsSe _chemical_formula_sum 'Co2 Os1 Se1' _cell_volume 52.53638941 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.99343954 1 Co Co1 1 -0.00000000 -0.00000000 17.73746602 1 Os Os2 1 -0.00000000 -0.00000000 11.86545278 1 Se Se3 1 -0.00000000 0.00000000 -0.00000000 1 [/CIF]
Co2OsSe
R-3m
166
trigonal
-3m
12,233.849046
false
[CIF] data_La2SnW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.73270330 _cell_length_b 3.73270330 _cell_length_c 7.37628039 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2SnW _chemical_formula_sum 'La2 Sn1 W1' _cell_volume 102.77425970 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.14665885 1 La La1 1 1.86635165 1.86635165 2.06111907 1 Sn Sn2 1 0.00000000 0.00000000 4.00410235 1 W W3 1 1.86635165 1.86635165 5.22882063 1 [/CIF]
La2SnW
P4mm
99
tetragonal
4mm
9,376.986722
false
[CIF] data_Mg2ScW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.86810852 _cell_length_b 4.60304425 _cell_length_c 6.09012725 _cell_angle_alpha 90.00000000 _cell_angle_beta 102.78707260 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2ScW _chemical_formula_sum 'Mg2 Sc1 W1' _cell_volume 78.40801966 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.46410537 0.00000000 5.93205249 1 Mg Mg1 1 1.03715057 2.30152212 1.40286216 1 Sc Sc2 1 2.14918278 0.00000000 3.15038830 1 W W3 1 0.58409045 2.30152212 4.36241682 1 [/CIF]
Mg2ScW
Pm
6
monoclinic
m
5,874.952029
false
[CIF] data_TiSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96555430 _cell_length_b 4.96555430 _cell_length_c 11.80121674 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiSn _chemical_formula_sum 'Ti6 Sn6' _cell_volume 251.99556038 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.40640628 1 Sn Sn1 1 0.00000000 0.00000000 7.39481046 1 Sn Sn2 1 0.00000000 2.86686411 8.29975998 1 Sn Sn3 1 0.00000000 2.86686411 11.29584238 1 Sn Sn4 1 2.48277715 1.43343206 0.50537436 1 Sn Sn5 1 2.48277715 1.43343206 3.50145676 1 Ti Ti6 1 0.00000000 0.00000000 1.37848774 1 Ti Ti7 1 0.00000000 0.00000000 10.42272900 1 Ti Ti8 1 0.00000000 2.86686411 5.31405438 1 Ti Ti9 1 0.00000000 2.86686411 2.44733951 1 Ti Ti10 1 2.48277715 1.43343206 9.35387723 1 Ti Ti11 1 2.48277715 1.43343206 6.48716236 1 [/CIF]
Sn6Ti6
P-3m1
164
trigonal
-3m
6,586.011652
false
[CIF] data_CrCuPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76828644 _cell_length_b 4.76828644 _cell_length_c 4.76828644 _cell_angle_alpha 133.94998456 _cell_angle_beta 133.94998456 _cell_angle_gamma 67.16613824 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrCuPt2 _chemical_formula_sum 'Cr1 Cu1 Pt2' _cell_volume 55.26940463 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 -0.00000000 0.00000000 -0.00000000 1 Cu Cu1 1 1.86503352 0.00000000 1.98619332 1 Pt Pt2 1 -0.00000000 0.00000000 3.97238663 1 Pt Pt3 1 -0.00000000 1.86503352 1.98619331 1 [/CIF]
CrCuPt2
I-4m2
119
tetragonal
-42m
15,193.783669
false
[CIF] data_CuSiOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.03251281 _cell_length_b 4.03251281 _cell_length_c 4.03251281 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuSiOs _chemical_formula_sum 'Cu1 Si1 Os1' _cell_volume 46.36734915 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.85141715 2.85141715 2.85141715 1 Os Os1 1 1.42570858 1.42570858 1.42570858 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CuOsSi
F-43m
216
cubic
-43m
10,094.21588
false
[CIF] data_BaTaPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.38744755 _cell_length_b 6.38744755 _cell_length_c 3.30123000 _cell_angle_alpha 100.35566893 _cell_angle_beta 100.35566893 _cell_angle_gamma 114.96790338 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTaPb2 _chemical_formula_sum 'Ba1 Ta1 Pb2' _cell_volume 115.07139295 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 1.16475653 2.69307857 1.55558449 1 Pb Pb2 1 1.16475653 -2.69307857 1.55558449 1 Ta Ta3 1 3.43348184 0.00000000 0.00000000 1 [/CIF]
BaPb2Ta
C2/m
12
monoclinic
2/m
10,572.873328
false
[CIF] data_NaScMnRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56459698 _cell_length_b 4.56459698 _cell_length_c 4.56459698 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaScMnRe _chemical_formula_sum 'Na1 Sc1 Mn1 Re1' _cell_volume 67.25000466 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.61382874 1.61382874 1.61382874 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 4.84148622 4.84148622 4.84148622 1 Sc Sc3 1 3.22765748 3.22765748 3.22765748 1 [/CIF]
MnNaReSc
F-43m
216
cubic
-43m
7,632.077183
false
[CIF] data_Na2PtAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.89659094 _cell_length_b 4.50983837 _cell_length_c 5.73305431 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.27104850 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2PtAu _chemical_formula_sum 'Na2 Pt1 Au1' _cell_volume 74.87336075 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.06358577 0.00000000 2.86582183 1 Na Na1 1 1.36394944 2.25491918 4.35481665 1 Na Na2 1 1.40546995 2.25491918 1.37682701 1 Pt Pt3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuNa2Pt
P2/m
10
monoclinic
2/m
9,714.618106
false
[CIF] data_SrTiNbTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83970495 _cell_length_b 4.83970495 _cell_length_c 4.83970495 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTiNbTc _chemical_formula_sum 'Sr1 Ti1 Nb1 Tc1' _cell_volume 80.15703795 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.71109409 1.71109409 1.71109409 1 Sr Sr1 1 5.13328228 5.13328228 5.13328229 1 Tc Tc2 1 3.42218819 3.42218819 3.42218819 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
NbSrTcTi
F-43m
216
cubic
-43m
6,780.362062
false
[CIF] data_HfBeNbZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53632135 _cell_length_b 4.53632135 _cell_length_c 4.53632135 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfBeNbZn _chemical_formula_sum 'Hf1 Be1 Nb1 Zn1' _cell_volume 66.00797950 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 4.81149539 4.81149539 4.81149539 1 Nb Nb2 1 3.20766359 3.20766359 3.20766359 1 Zn Zn3 1 1.60383180 1.60383180 1.60383180 1 [/CIF]
BeHfNbZn
F-43m
216
cubic
-43m
8,698.878838
false
[CIF] data_CoIrRuW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32054121 _cell_length_b 4.32054121 _cell_length_c 4.32054121 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoIrRuW _chemical_formula_sum 'Co1 Ir1 Ru1 W1' _cell_volume 57.02948616 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 3.05508399 3.05508399 3.05508399 1 Ru Ru2 1 1.52754200 1.52754200 1.52754200 1 W W3 1 4.58262599 4.58262599 4.58262599 1 [/CIF]
CoIrRuW
F-43m
216
cubic
-43m
15,608.572963
false
[CIF] data_HgBW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38385171 _cell_length_b 4.38385171 _cell_length_c 4.38385171 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgBW2 _chemical_formula_sum 'Hg1 B1 W2' _cell_volume 59.57342464 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 3.09985127 3.09985127 3.09985127 1 W W2 1 1.54992564 1.54992564 1.54992564 1 W W3 1 4.64977691 4.64977691 4.64977691 1 [/CIF]
BHgW2
Fm-3m
225
cubic
m-3m
16,141.201031
false
[CIF] data_GeW3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47610661 _cell_length_b 4.47610661 _cell_length_c 4.47610661 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeW3 _chemical_formula_sum 'Ge1 W3' _cell_volume 63.41416361 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 0.00000000 0.00000000 0.00000000 1 W W1 1 1.58254267 1.58254267 1.58254267 1 W W2 1 3.16508534 3.16508534 3.16508534 1 W W3 1 4.74762801 4.74762801 4.74762801 1 [/CIF]
GeW3
Fm-3m
225
cubic
m-3m
16,344.015356
false
[CIF] data_CaTe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.93981821 _cell_length_b 6.93981821 _cell_length_c 6.93981821 _cell_angle_alpha 142.44540289 _cell_angle_beta 142.44540289 _cell_angle_gamma 54.15844351 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTe3 _chemical_formula_sum 'Ca1 Te3' _cell_volume 123.33752795 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Te Te1 1 0.00000000 2.23386220 3.08953055 1 Te Te2 1 0.00000000 0.00000000 6.17906110 1 Te Te3 1 2.23386220 -0.00000000 3.08953055 1 [/CIF]
CaTe3
I4/mmm
139
tetragonal
4/mmm
5,693.366791
false
[CIF] data_Sc4AuCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.85613596 _cell_length_b 5.85613596 _cell_length_c 5.85613596 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc4AuCl _chemical_formula_sum 'Sc4 Au1 Cl1' _cell_volume 142.00984573 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.21137018 6.21137018 6.21137018 1 Cl Cl1 1 0.00000000 0.00000000 0.00000000 1 Sc Sc2 1 5.16264475 5.16264475 3.11918215 1 Sc Sc3 1 5.16264475 3.11918215 5.16264475 1 Sc Sc4 1 3.11918215 5.16264475 5.16264475 1 Sc Sc5 1 3.11918215 3.11918215 3.11918215 1 [/CIF]
AuClSc4
F-43m
216
cubic
-43m
4,820.412016
false
[CIF] data_BaTc2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82392489 _cell_length_b 4.82392489 _cell_length_c 3.59652832 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTc2Sb _chemical_formula_sum 'Ba1 Tc2 Sb1' _cell_volume 83.69211797 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.41196244 2.41196244 0.00000000 1 Sb Sb1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 0.00000000 2.41196244 1.79826416 1 Tc Tc3 1 2.41196244 0.00000000 1.79826416 1 [/CIF]
BaSbTc2
P4/mmm
123
tetragonal
4/mmm
9,065.361885
false
[CIF] data_VAg2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22845554 _cell_length_b 3.22845554 _cell_length_c 7.41004857 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 92.54395211 _symmetry_Int_Tables_number 1 _chemical_formula_structural VAg2Te _chemical_formula_sum 'V1 Ag2 Te1' _cell_volume 77.15826497 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.23162450 0.00000000 0.12259081 1 Ag Ag1 1 0.00000000 0.00000000 5.82392715 1 Te Te2 1 2.23162450 0.00000000 3.32193159 1 V V3 1 0.00000000 0.00000000 1.84662323 1 [/CIF]
Ag2TeV
Cmm2
35
orthorhombic
mm2
8,485.336682
false
[CIF] data_LaZrSc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.07341502 _cell_length_b 11.07341502 _cell_length_c 11.07341502 _cell_angle_alpha 17.37175710 _cell_angle_beta 17.37175710 _cell_angle_gamma 17.37175710 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaZrSc2 _chemical_formula_sum 'La1 Zr1 Sc2' _cell_volume 105.62885081 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 24.56558623 1 Sc Sc1 1 -0.00000000 0.00000000 32.59112796 1 Sc Sc2 1 -0.00000000 0.00000000 8.11068358 1 Zr Zr3 1 -0.00000000 0.00000000 16.51075452 1 [/CIF]
LaSc2Zr
R3m
160
trigonal
3m
5,031.211331
false
[CIF] data_MgBPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91003433 _cell_length_b 4.91003433 _cell_length_c 4.91003433 _cell_angle_alpha 137.61515273 _cell_angle_beta 137.61515273 _cell_angle_gamma 61.49292411 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgBPd2 _chemical_formula_sum 'Mg1 B1 Pd2' _cell_volume 53.17993542 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mg Mg1 1 1.77498371 -0.00000000 2.10993500 1 Pd Pd2 1 0.00000000 -0.00000000 4.21986999 1 Pd Pd3 1 -0.00000000 1.77498371 2.10993500 1 [/CIF]
BMgPd2
I-4m2
119
tetragonal
-42m
7,742.405506
false
[CIF] data_Tb5Si3B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.59632022 _cell_length_b 8.59632022 _cell_length_c 6.37720400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb5Si3B _chemical_formula_sum 'Tb10 Si6 B2' _cell_volume 408.11833962 _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 Tb Tb0 1 -0.00000000 4.96308779 3.18860200 1 Tb Tb1 1 4.29816011 2.48154390 3.18860200 1 Tb Tb2 1 4.29816011 2.48154390 0.00000000 1 Tb Tb3 1 -0.00000000 4.96308779 0.00000000 1 Tb Tb4 1 6.52624894 0.00000000 1.59430100 1 Tb Tb5 1 -3.26312447 5.65189738 1.59430100 1 Tb Tb6 1 1.03503564 1.79273431 1.59430100 1 Tb Tb7 1 2.07007128 0.00000000 4.78290300 1 Tb Tb8 1 -1.03503564 1.79273431 4.78290300 1 Tb Tb9 1 3.26312447 5.65189738 4.78290300 1 Si Si10 1 3.43612971 0.00000000 1.59430100 1 Si Si11 1 -1.71806486 2.97577562 1.59430100 1 Si Si12 1 2.58009525 4.46885606 1.59430100 1 Si Si13 1 5.16019050 0.00000000 4.78290300 1 Si Si14 1 -2.58009525 4.46885606 4.78290300 1 Si Si15 1 1.71806486 2.97577562 4.78290300 1 B B16 1 0.00000000 0.00000000 3.18860200 1 B B17 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
B2Si6Tb10
P6_3/mcm
193
hexagonal
6/mmm
7,239.919853
false
[CIF] data_ReIrRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74814484 _cell_length_b 4.74814484 _cell_length_c 4.73434665 _cell_angle_alpha 99.48377538 _cell_angle_beta 99.48377538 _cell_angle_gamma 33.27846165 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReIrRh2 _chemical_formula_sum 'Re1 Ir1 Rh2' _cell_volume 57.69405572 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.14224357 0.00000000 2.33190794 1 Re Re1 1 0.00000000 0.00000000 0.00000000 1 Rh Rh2 1 1.66682822 -0.00000000 3.50969676 1 Rh Rh3 1 6.61765891 0.00000000 1.15411912 1 [/CIF]
IrReRh2
C2/m
12
monoclinic
2/m
16,815.337896
false
[CIF] data_Ba2SbSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00705635 _cell_length_b 4.00705635 _cell_length_c 8.71047568 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2SbSe _chemical_formula_sum 'Ba2 Sb1 Se1' _cell_volume 139.85975826 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.00352818 2.00352818 1.98540520 1 Ba Ba1 1 2.00352818 2.00352818 6.72507048 1 Sb Sb2 1 0.00000000 0.00000000 4.35523784 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ba2SbSe
P4/mmm
123
tetragonal
4/mmm
5,644.068454
false
[CIF] data_NbP4Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92803839 _cell_length_b 4.92803839 _cell_length_c 4.92803839 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbP4Ru _chemical_formula_sum 'Nb1 P4 Ru1' _cell_volume 84.62666921 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 P P1 1 4.35703946 4.35703946 2.61225926 1 P P2 1 4.35703946 2.61225926 4.35703946 1 P P3 1 2.61225926 4.35703946 4.35703946 1 P P4 1 2.61225926 2.61225926 2.61225926 1 Ru Ru5 1 5.22697404 5.22697404 5.22697404 1 [/CIF]
NbP4Ru
F-43m
216
cubic
-43m
6,237.252739
false
[CIF] data_MnBe2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63677284 _cell_length_b 4.63677284 _cell_length_c 4.63677284 _cell_angle_alpha 136.23334948 _cell_angle_beta 136.23334948 _cell_angle_gamma 63.61977889 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnBe2Se _chemical_formula_sum 'Mn1 Be2 Se1' _cell_volume 47.07444255 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Be Be1 1 -0.00000000 1.72820749 1.97016878 1 Mn Mn2 1 0.00000000 -0.00000000 3.94033756 1 Se Se3 1 1.72820749 -0.00000000 1.97016878 1 [/CIF]
Be2MnSe
I-4m2
119
tetragonal
-42m
5,359.074609
false
[CIF] data_MgCu4As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93988430 _cell_length_b 4.93988430 _cell_length_c 4.93988430 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCu4As _chemical_formula_sum 'Mg1 Cu4 As1' _cell_volume 85.23840900 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.74651285 1.74651285 1.74651285 1 Cu Cu1 1 2.61634484 2.61634484 4.36970654 1 Cu Cu2 1 2.61634484 4.36970654 2.61634484 1 Cu Cu3 1 4.36970654 2.61634484 2.61634484 1 Cu Cu4 1 4.36970654 4.36970654 4.36970654 1 Mg Mg5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsCu4Mg
F-43m
216
cubic
-43m
6,884.831788
false
[CIF] data_Li4CrFe3Cu2(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.58742400 _cell_length_b 8.65575937 _cell_length_c 8.66300790 _cell_angle_alpha 61.26686503 _cell_angle_beta 61.34677604 _cell_angle_gamma 61.37858266 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li4CrFe3Cu2(PO4)6 _chemical_formula_sum 'Li4 Cr1 Fe3 Cu2 P6 O24' _cell_volume 468.94180451 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.51724445 2.01438953 2.51060286 1 Li Li1 1 8.36135164 8.03109590 4.68681180 1 Li Li2 1 10.14927765 3.99720713 6.07645080 1 Li Li3 1 10.99135879 5.56840057 1.80399653 1 Cr Cr4 1 14.43177691 8.59343680 6.15411454 1 Fe Fe5 1 2.42211457 1.42462864 0.99333545 1 Fe Fe6 1 6.00883483 3.62826972 2.56248649 1 Fe Fe7 1 10.94517166 6.52070063 4.68116994 1 Cu Cu8 1 4.30651973 2.47038565 7.12634868 1 Cu Cu9 1 8.31091938 5.11110528 3.58638865 1 P P10 1 5.40975791 6.82230384 3.27893196 1 P P11 1 7.20490503 2.20521617 5.38723724 1 P P12 1 8.51832998 3.56860434 0.34442711 1 P P13 1 8.36498257 6.47622440 6.89726006 1 P P14 1 9.70189840 7.91663204 1.80460743 1 P P15 1 11.46089590 3.21593877 3.87487861 1 O O16 1 4.34425859 3.46268416 3.57276911 1 O O17 1 5.20365647 4.14303503 0.85152690 1 O O18 1 5.35347935 7.68230929 1.98475913 1 O O19 1 6.27409609 1.62736739 2.15319587 1 O O20 1 6.04930788 7.61477726 4.44590041 1 O O21 1 6.28737513 5.56085590 3.09500704 1 O O22 1 6.32157004 2.77034666 6.52570167 1 O O23 1 7.23222436 3.14889710 4.15265979 1 O O24 1 7.36779398 5.35875980 7.13960168 1 O O25 1 7.85933625 3.84778751 1.72710900 1 O O26 1 7.68248470 7.89202739 6.72144218 1 O O27 1 4.08859328 0.52735382 1.46704400 1 O O28 1 8.69099683 2.09977550 5.80624482 1 O O29 1 9.16964814 2.16421407 0.51524277 1 O O30 1 9.05301369 6.18635533 5.50936753 1 O O31 1 9.53175679 4.70845033 0.13373026 1 O O32 1 9.75424290 6.85104629 2.96454691 1 O O33 1 10.54278841 7.28592660 0.63002785 1 O O34 1 10.62942892 4.52858025 4.09930999 1 O O35 1 10.74622700 2.45660248 2.75347633 1 O O36 1 10.73033552 8.43636258 5.00840551 1 O O37 1 11.42125028 2.46216288 5.26484821 1 O O38 1 11.65422529 5.89261479 6.38857192 1 O O39 1 12.51866353 6.44963537 3.53988816 1 [/CIF]
CrCu2Fe3Li4O24P6
P1
1
triclinic
1
3,343.49877
false
[CIF] data_HfZnCd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80118599 _cell_length_b 4.80118599 _cell_length_c 4.80118599 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZnCd2 _chemical_formula_sum 'Hf1 Zn1 Cd2' _cell_volume 78.25833314 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.09242676 5.09242676 5.09242676 1 Cd Cd1 1 3.39495117 3.39495117 3.39495117 1 Hf Hf2 1 1.69747559 1.69747559 1.69747559 1 Zn Zn3 1 0.00000000 0.00000000 -0.00000000 1 [/CIF]
Cd2HfZn
F-43m
216
cubic
-43m
9,945.19305
false
[CIF] data_SrIrSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.41557322 _cell_length_b 3.41557322 _cell_length_c 8.52133325 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrIrSe2 _chemical_formula_sum 'Sr1 Ir1 Se2' _cell_volume 99.41107047 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.70778661 1.70778661 6.83892484 1 Se Se1 1 0.00000000 0.00000000 7.65730568 1 Se Se2 1 1.70778661 1.70778661 2.44265262 1 Sr Sr3 1 0.00000000 0.00000000 4.36444999 1 [/CIF]
IrSe2Sr
P4mm
99
tetragonal
4mm
7,312.244482
false
[CIF] data_Be2ReCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.88466157 _cell_length_b 3.01719429 _cell_length_c 7.39712986 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2ReCl _chemical_formula_sum 'Be2 Re1 Cl1' _cell_volume 64.38154418 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.28893611 1 Be Be1 1 1.44233078 1.50859715 1.48390449 1 Cl Cl2 1 0.00000000 0.00000000 2.65669273 1 Re Re3 1 1.44233078 1.50859715 6.66616147 1 [/CIF]
Be2ClRe
Pmm2
25
orthorhombic
mm2
6,181.977384
false
[CIF] data_HfMgIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43476026 _cell_length_b 4.43476026 _cell_length_c 3.31663356 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMgIr2 _chemical_formula_sum 'Hf1 Mg1 Ir2' _cell_volume 65.22855905 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.21738013 2.21738013 0.00000000 1 Ir Ir1 1 2.21738013 0.00000000 1.65831678 1 Ir Ir2 1 0.00000000 2.21738013 1.65831678 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfIr2Mg
P4/mmm
123
tetragonal
4/mmm
14,949.241733
false
[CIF] data_IrAuSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.03657418 _cell_length_b 3.23290091 _cell_length_c 7.41831358 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural IrAuSe2 _chemical_formula_sum 'Ir1 Au1 Se2' _cell_volume 72.82516476 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.70915679 1 Ir Ir1 1 0.00000000 0.00000000 0.00000000 1 Se Se2 1 1.51828709 1.61645046 1.56040977 1 Se Se3 1 1.51828709 1.61645046 5.85790381 1 [/CIF]
AuIrSe2
Pmmm
47
orthorhombic
mmm
12,474.902773
false
[CIF] data_LaZrBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17281945 _cell_length_b 5.17281945 _cell_length_c 3.90616882 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaZrBi _chemical_formula_sum 'La1 Zr1 Bi1' _cell_volume 90.51827754 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.58640975 1.49326434 3.31577117 1 La La1 1 0.00000003 2.98652869 1.27566048 1 Zr Zr2 1 0.00000000 0.00000000 3.22090595 1 [/CIF]
BiLaZr
P3m1
156
trigonal
3m
8,055.379671
false
[CIF] data_YCo2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.47434312 _cell_length_b 3.47434312 _cell_length_c 6.13947794 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YCo2Te _chemical_formula_sum 'Y1 Co2 Te1' _cell_volume 74.11000708 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.73717156 1.73717156 0.12017862 1 Co Co1 1 0.00000000 0.00000000 1.62629706 1 Te Te2 1 1.73717156 1.73717156 2.55307028 1 Y Y3 1 0.00000000 0.00000000 4.90967101 1 [/CIF]
Co2TeY
P4mm
99
tetragonal
4mm
7,492.563769
false
[CIF] data_PdAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56862918 _cell_length_b 4.56862918 _cell_length_c 8.07879756 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PdAu _chemical_formula_sum 'Pd4 Au4' _cell_volume 146.03238396 _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 Au Au0 1 0.00000000 0.00000000 2.01969939 1 Au Au1 1 0.00000000 0.00000000 6.05909817 1 Au Au2 1 2.28431459 1.31884964 6.05909817 1 Au Au3 1 -0.00000000 2.63769928 2.01969939 1 Pd Pd4 1 2.28431459 1.31884964 0.66924702 1 Pd Pd5 1 0.00000000 2.63769928 4.70864580 1 Pd Pd6 1 -0.00000000 2.63769928 7.40955054 1 Pd Pd7 1 2.28431459 1.31884964 3.37015176 1 [/CIF]
Au4Pd4
P6_3/mmc
194
hexagonal
6/mmm
13,799.27484
false
[CIF] data_MgBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86223304 _cell_length_b 4.86223304 _cell_length_c 13.62551857 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgBr _chemical_formula_sum 'Mg4 Br4' _cell_volume 278.96852910 _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 Br Br0 1 2.43111652 1.40360578 1.74663193 1 Br Br1 1 -0.00000000 2.80721156 8.55939121 1 Br Br2 1 -0.00000000 2.80721156 11.87888664 1 Br Br3 1 2.43111652 1.40360578 5.06612736 1 Mg Mg4 1 0.00000000 0.00000000 3.40637964 1 Mg Mg5 1 0.00000000 0.00000000 10.21913893 1 Mg Mg6 1 2.43111652 1.40360578 10.21913893 1 Mg Mg7 1 -0.00000000 2.80721156 3.40637964 1 [/CIF]
Br4Mg4
P6_3/mmc
194
hexagonal
6/mmm
2,481.184757
false
[CIF] data_NaSn2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49385869 _cell_length_b 5.52843140 _cell_length_c 4.71578362 _cell_angle_alpha 90.00000000 _cell_angle_beta 101.95384266 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSn2Se _chemical_formula_sum 'Na1 Sn2 Se1' _cell_volume 114.61826220 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 0.00000000 0.00000000 0.00000000 1 Se Se1 1 1.75855423 0.00000000 2.30676040 1 Sn Sn2 1 2.84006603 2.76421570 1.39537943 1 Sn Sn3 1 0.67704244 2.76421570 3.21814136 1 [/CIF]
NaSeSn2
P2/m
10
monoclinic
2/m
4,916.640238
false
[CIF] data_B2PdSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61861118 _cell_length_b 3.02186082 _cell_length_c 4.75054196 _cell_angle_alpha 90.00000000 _cell_angle_beta 93.60716175 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural B2PdSe _chemical_formula_sum 'B2 Pd1 Se1' _cell_volume 51.84397483 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.13593997 1.51093041 3.18812226 1 B B1 1 3.45566954 1.51093041 1.55300827 1 Pd Pd2 1 1.65986478 0.00000000 2.37056526 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
B2PdSe
P2/m
10
monoclinic
2/m
6,630.180441
false
[CIF] data_BeTeRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.12320229 _cell_length_b 6.12320229 _cell_length_c 6.12320229 _cell_angle_alpha 33.48266843 _cell_angle_beta 33.48266843 _cell_angle_gamma 33.48266843 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeTeRh2 _chemical_formula_sum 'Be1 Te1 Rh2' _cell_volume 62.23108921 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 -0.00000000 0.00000000 4.78257013 1 Rh Rh2 1 0.00000000 -0.00000000 12.54113297 1 Te Te3 1 -0.00000000 0.00000000 8.66185155 1 [/CIF]
BeRh2Te
R-3m
166
trigonal
-3m
9,137.02585
false
[CIF] data_ZnCrRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32613004 _cell_length_b 4.32613004 _cell_length_c 4.32613004 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCrRh2 _chemical_formula_sum 'Zn1 Cr1 Rh2' _cell_volume 57.25108382 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 0.00000000 0.00000000 0.00000000 1 Rh Rh1 1 3.05903589 3.05903589 3.05903589 1 Rh Rh2 1 4.58855383 4.58855383 4.58855383 1 Zn Zn3 1 1.52951795 1.52951795 1.52951794 1 [/CIF]
CrRh2Zn
F-43m
216
cubic
-43m
9,373.880275
false
[CIF] data_ScMnRuW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38620115 _cell_length_b 4.38620115 _cell_length_c 4.38620115 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScMnRuW _chemical_formula_sum 'Sc1 Mn1 Ru1 W1' _cell_volume 59.66925792 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.65226887 4.65226887 4.65226887 1 Ru Ru1 1 3.10151258 3.10151258 3.10151258 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 1.55075629 1.55075629 1.55075629 1 [/CIF]
MnRuScW
F-43m
216
cubic
-43m
10,708.730522
false
[CIF] data_LiCr2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.11858368 _cell_length_b 9.11858368 _cell_length_c 9.11858368 _cell_angle_alpha 16.46777737 _cell_angle_beta 16.46777737 _cell_angle_gamma 16.46777737 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCr2Ru _chemical_formula_sum 'Li1 Cr2 Ru1' _cell_volume 53.12814844 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 20.36551795 1 Cr Cr1 1 -0.00000000 -0.00000000 6.61358964 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Ru Ru3 1 -0.00000000 -0.00000000 13.48955379 1 [/CIF]
Cr2LiRu
R-3m
166
trigonal
-3m
6,626.234984
false
[CIF] data_CaCoW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50210549 _cell_length_b 4.50210549 _cell_length_c 4.50210549 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCoW _chemical_formula_sum 'Ca1 Co1 W1' _cell_volume 64.52559264 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Co Co1 1 1.59173466 1.59173466 1.59173466 1 W W2 1 4.77520398 4.77520398 4.77520398 1 [/CIF]
CaCoW
F-43m
216
cubic
-43m
7,279.056884
false
[CIF] data_NiH6C2(NO2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.58752472 _cell_length_b 7.58752472 _cell_length_c 8.96696827 _cell_angle_alpha 125.32069771 _cell_angle_beta 125.32069771 _cell_angle_gamma 52.78147202 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiH6C2(NO2)2 _chemical_formula_sum 'Ni2 H12 C4 N4 O8' _cell_volume 314.00684853 _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 2.45621705 1.76495622 5.13694231 1 Ni Ni1 1 5.34992603 -1.76495622 1.71231410 1 H H2 1 0.03255189 0.91283303 4.68446331 1 H H3 1 4.87988221 0.91283303 5.58942131 1 H H4 1 7.77359119 -0.91283303 2.16479310 1 H H5 1 2.92626086 -0.91283303 1.25983510 1 H H6 1 1.00827875 -0.01176356 3.78677236 1 H H7 1 3.90415535 -0.01176356 6.48711225 1 H H8 1 6.79786433 0.01176356 3.06248405 1 H H9 1 3.90198772 0.01176356 0.36214416 1 H H10 1 0.76859531 -0.37835643 5.37224166 1 H H11 1 4.14383879 -0.37835643 4.90164295 1 H H12 1 7.03754777 0.37835643 1.47701475 1 H H13 1 3.66230428 0.37835643 1.94761346 1 C C14 1 7.52098989 0.39459878 6.24264174 1 C C15 1 -2.60855579 0.39459878 4.03124287 1 C C16 1 0.28515318 -0.39459878 0.60661467 1 C C17 1 10.41469887 -0.39459878 2.81801354 1 N N18 1 0.92175053 0.40105727 4.72172668 1 N N19 1 3.99068357 0.40105727 5.55215793 1 N N20 1 6.88439254 -0.40105727 2.12752972 1 N N21 1 3.81545951 -0.40105727 1.29709848 1 O O22 1 7.81466017 -0.01382758 5.08432289 1 O O23 1 -2.90222607 -0.01382758 5.18956172 1 O O24 1 -0.00851710 0.01382758 1.76493351 1 O O25 1 10.70836915 0.01382758 1.65969469 1 O O26 1 -0.00588457 -1.96831276 6.51055383 1 O O27 1 4.91831867 -1.96831276 3.76333078 1 O O28 1 7.81202764 1.96831276 0.33870258 1 O O29 1 2.88782441 1.96831276 3.08592563 1 [/CIF]
C8H24N8Ni4O16
C2/c
15
monoclinic
2/m
1,911.941492
false
[CIF] data_Pt2WAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94713008 _cell_length_b 4.94713008 _cell_length_c 2.80773596 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.84313072 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pt2WAu _chemical_formula_sum 'Pt2 W1 Au1' _cell_volume 64.63677435 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.84310215 0.00000000 0.00000000 1 Pt Pt1 1 1.42155108 -2.02428173 1.40386798 1 Pt Pt2 1 1.42155108 2.02428173 1.40386798 1 W W3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuPt2W
Cmmm
65
orthorhombic
mmm
19,809.628972
false
[CIF] data_YNp2Al _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20370770 _cell_length_b 5.20370770 _cell_length_c 5.20370770 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YNp2Al _chemical_formula_sum 'Y1 Np2 Al1' _cell_volume 99.63769734 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Np Np1 1 5.51936550 5.51936550 5.51936550 1 Np Np2 1 1.83978850 1.83978850 1.83978850 1 Y Y3 1 3.67957700 3.67957700 3.67957700 1 [/CIF]
AlNp2Y
Fm-3m
225
cubic
m-3m
9,830.928251
false
[CIF] data_Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.72544328 _cell_length_b 2.72544328 _cell_length_c 2.72544328 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mo _chemical_formula_sum Mo1 _cell_volume 15.58438085 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mo
Im-3m
229
cubic
m-3m
10,224.681392
false
[CIF] data_SiNiAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.73018439 _cell_length_b 2.73018439 _cell_length_c 8.85955493 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.61886560 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiNiAg2 _chemical_formula_sum 'Si1 Ni1 Ag2' _cell_volume 62.20457212 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.57339920 0.00000000 2.32126993 1 Ag Ag1 1 1.57339920 0.00000000 6.53828500 1 Ni Ni2 1 0.00000000 0.00000000 4.42977746 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2NiSi
Cmmm
65
orthorhombic
mmm
8,075.587642
false
[CIF] data_Re2SeBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47242788 _cell_length_b 4.47242788 _cell_length_c 3.15458131 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re2SeBr _chemical_formula_sum 'Re2 Se1 Br1' _cell_volume 63.09986338 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.23621394 2.23621394 0.00000000 1 Re Re1 1 2.23621394 0.00000000 1.57729066 1 Re Re2 1 0.00000000 2.23621394 1.57729066 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BrRe2Se
P4/mmm
123
tetragonal
4/mmm
13,981.180164
false
[CIF] data_ErAlZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50371340 _cell_length_b 4.50371340 _cell_length_c 6.92568400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ErAlZn _chemical_formula_sum 'Er2 Al2 Zn2' _cell_volume 121.65635337 _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 0.00000000 0.00000000 3.46284200 1 Er Er1 1 0.00000000 0.00000000 0.00000000 1 Al Al2 1 0.00000000 2.60022014 1.73142100 1 Al Al3 1 2.25185670 1.30011007 5.19426300 1 Zn Zn4 1 0.00000000 2.60022014 5.19426300 1 Zn Zn5 1 2.25185670 1.30011007 1.73142100 1 [/CIF]
Al2Er2Zn2
P6_3/mmc
194
hexagonal
6/mmm
7,087.446823
false
[CIF] data_MnSnMoPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77351540 _cell_length_b 4.77351540 _cell_length_c 4.77351540 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnSnMoPb _chemical_formula_sum 'Mn1 Sn1 Mo1 Pb1' _cell_volume 76.91304161 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 3.37538511 3.37538511 3.37538511 1 Pb Pb2 1 1.68769255 1.68769256 1.68769256 1 Sn Sn3 1 5.06307766 5.06307766 5.06307766 1 [/CIF]
MnMoPbSn
F-43m
216
cubic
-43m
10,294.201989
false
[CIF] data_TaGaRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31062931 _cell_length_b 5.31062931 _cell_length_c 5.31062931 _cell_angle_alpha 145.98871671 _cell_angle_beta 145.98871671 _cell_angle_gamma 48.86352265 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaGaRu _chemical_formula_sum 'Ta1 Ga1 Ru1' _cell_volume 46.65590142 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 0.00000000 -0.00000000 9.58419387 1 Ru Ru1 1 0.00000000 -0.00000000 3.23247742 1 Ta Ta2 1 0.00000000 -0.00000000 6.52367455 1 [/CIF]
GaRuTa
I4mm
107
tetragonal
4mm
12,518.876602
false
[CIF] data_Mn2FeSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86079707 _cell_length_b 4.86079707 _cell_length_c 4.86079707 _cell_angle_alpha 142.42265940 _cell_angle_beta 130.35174749 _cell_angle_gamma 63.89553106 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2FeSe _chemical_formula_sum 'Mn2 Fe1 Se1' _cell_volume 52.70960289 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.03333884 1 Mn Mn1 1 0.00000000 2.04072931 4.10879004 1 Mn Mn2 1 0.00000000 0.00000000 2.17887002 1 Se Se3 1 -0.00000000 2.04072931 0.05260995 1 [/CIF]
FeMn2Se
Imm2
44
orthorhombic
mm2
7,708.32043
false
[CIF] data_CdGaAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.52585362 _cell_length_b 9.52585362 _cell_length_c 9.52585362 _cell_angle_alpha 18.34810892 _cell_angle_beta 18.34810892 _cell_angle_gamma 18.34810892 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdGaAg2 _chemical_formula_sum 'Cd1 Ga1 Ag2' _cell_volume 74.81313616 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 20.96434298 1 Ag Ag1 1 0.00000000 0.00000000 7.12476334 1 Cd Cd2 1 0.00000000 -0.00000000 14.04455316 1 Ga Ga3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2CdGa
R-3m
166
trigonal
-3m
8,831.060636
false
[CIF] data_MgAu2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.06012955 _cell_length_b 3.74941008 _cell_length_c 7.15160185 _cell_angle_alpha 90.00000000 _cell_angle_beta 96.78364984 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgAu2Br _chemical_formula_sum 'Mg1 Au2 Br1' _cell_volume 108.10731585 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.20152473 1.87470504 0.57964144 1 Au Au1 1 1.16579423 0.00000000 0.46492942 1 Br Br2 1 2.16345188 1.87470504 3.93877666 1 Mg Mg3 1 2.35242571 0.00000000 5.66895545 1 [/CIF]
Au2BrMg
Pm
6
monoclinic
m
7,651.512521
false
[CIF] data_GaPd2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.57046343 _cell_length_b 4.48719218 _cell_length_c 5.12102216 _cell_angle_alpha 90.00000000 _cell_angle_beta 98.13715031 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaPd2Br _chemical_formula_sum 'Ga1 Pd2 Br1' _cell_volume 81.21968801 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.01621663 2.24359609 2.34938010 1 Ga Ga1 1 -0.33725731 0.00000000 4.17717090 1 Pd Pd2 1 0.40879163 2.24359609 0.18163332 1 Pd Pd3 1 2.18067595 0.00000000 0.89601192 1 [/CIF]
BrGaPd2
Pm
6
monoclinic
m
7,410.649174
false