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_ZrIn4B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.81561334 _cell_length_b 5.81561334 _cell_length_c 5.81561334 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrIn4B _chemical_formula_sum 'Zr1 In4 B1' _cell_volume 139.08220731 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 5.14253929 5.14253929 3.08197997 1 In In2 1 5.14253929 3.08197997 5.14253929 1 In In3 1 3.08197997 5.14253929 5.14253929 1 In In4 1 3.08197997 3.08197997 3.08197997 1 Zr Zr5 1 6.16838944 6.16838944 6.16838944 1 [/CIF]
BIn4Zr
F-43m
216
cubic
-43m
6,701.591957
false
[CIF] data_Li2CdBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.73150001 _cell_length_b 3.73150001 _cell_length_c 6.30506551 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2CdBi _chemical_formula_sum 'Li2 Cd1 Bi1' _cell_volume 87.79231427 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.86575000 1.86575000 2.99895769 1 Cd Cd1 1 0.00000000 0.00000000 4.97611709 1 Li Li2 1 1.86575000 1.86575000 6.25087246 1 Li Li3 1 0.00000000 0.00000000 1.53671659 1 [/CIF]
BiCdLi2
P4mm
99
tetragonal
4mm
6,341.495646
false
[CIF] data_Ca2LaSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.21591992 _cell_length_b 6.21591992 _cell_length_c 6.80332064 _cell_angle_alpha 115.74188274 _cell_angle_beta 115.74188274 _cell_angle_gamma 35.82423163 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2LaSe _chemical_formula_sum 'Ca2 La1 Se1' _cell_volume 136.89273177 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.93288271 -0.00000000 5.95660483 1 Ca Ca1 1 7.89875018 0.00000000 1.66008448 1 La La2 1 4.64489801 -0.00000000 3.73877834 1 Se Se3 1 1.33332419 0.00000000 3.77772561 1 [/CIF]
Ca2LaSe
Cm
8
monoclinic
m
3,615.066244
false
[CIF] data_Na2CaSc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.56402836 _cell_length_b 5.56402836 _cell_length_c 5.56402836 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2CaSc _chemical_formula_sum 'Na2 Ca1 Sc1' _cell_volume 121.80160380 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Na Na1 1 5.90154328 5.90154328 5.90154328 1 Na Na2 1 1.96718109 1.96718109 1.96718109 1 Sc Sc3 1 3.93436218 3.93436218 3.93436218 1 [/CIF]
CaNa2Sc
Fm-3m
225
cubic
m-3m
1,786.125552
false
[CIF] data_FeRu2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36272282 _cell_length_b 4.36272282 _cell_length_c 4.36272282 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeRu2Au _chemical_formula_sum 'Fe1 Ru2 Au1' _cell_volume 58.71618992 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.08491089 3.08491089 3.08491089 1 Fe Fe1 1 -0.00000000 -0.00000000 0.00000000 1 Ru Ru2 1 4.62736634 4.62736634 4.62736634 1 Ru Ru3 1 1.54245545 1.54245545 1.54245545 1 [/CIF]
AuFeRu2
Fm-3m
225
cubic
m-3m
12,866.380717
false
[CIF] data_V2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.85136100 _cell_length_b 6.85136100 _cell_length_c 4.64048340 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 153.55774782 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2Hg _chemical_formula_sum 'V4 Hg2' _cell_volume 96.99856758 _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 Hg Hg0 1 1.56697363 -1.08863135 3.48036255 1 Hg Hg1 1 1.56697362 1.08863135 1.16012085 1 V V2 1 1.56697363 -5.25801858 3.48036255 1 V V3 1 1.56697362 -3.24370814 1.16012085 1 V V4 1 1.56697362 3.24370814 3.48036255 1 V V5 1 1.56697362 5.25801858 1.16012085 1 [/CIF]
Hg2V4
Cmcm
63
orthorhombic
mmm
10,356.198976
false
[CIF] data_YTi2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63757205 _cell_length_b 4.63757205 _cell_length_c 4.63757205 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTi2Rh _chemical_formula_sum 'Y1 Ti2 Rh1' _cell_volume 70.52726018 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.27925865 3.27925865 3.27925865 1 Ti Ti1 1 4.91888797 4.91888797 4.91888797 1 Ti Ti2 1 1.63962932 1.63962932 1.63962932 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
RhTi2Y
Fm-3m
225
cubic
m-3m
6,770.15222
false
[CIF] data_Sc3Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80918429 _cell_length_b 4.80918429 _cell_length_c 4.80918429 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc3Tc _chemical_formula_sum 'Sc3 Tc1' _cell_volume 78.65009655 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.10091023 5.10091023 5.10091023 1 Sc Sc1 1 1.70030341 1.70030341 1.70030341 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 3.40060682 3.40060682 3.40060682 1 [/CIF]
Sc3Tc
Fm-3m
225
cubic
m-3m
4,935.667857
false
[CIF] data_La2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.22236024 _cell_length_b 6.22236024 _cell_length_c 6.22236024 _cell_angle_alpha 106.43891767 _cell_angle_beta 106.43891767 _cell_angle_gamma 115.72257006 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2Ge _chemical_formula_sum 'La4 Ge2' _cell_volume 183.78357299 _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 Ge Ge0 1 0.00000000 -0.00000000 4.96517151 1 Ge Ge1 1 0.00000000 0.00000000 1.65505717 1 La La2 1 1.26057227 2.46507600 0.00000000 1 La La3 1 2.46507600 1.26057227 3.31011434 1 La La4 1 4.98622054 1.26057227 -0.00000000 1 La La5 1 -1.26057227 2.46507600 3.31011434 1 [/CIF]
Ge2La4
I4/mcm
140
tetragonal
4/mmm
6,332.856276
false
[CIF] data_NbV2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74553314 _cell_length_b 4.74553314 _cell_length_c 4.74553314 _cell_angle_alpha 130.45031164 _cell_angle_beta 130.45031164 _cell_angle_gamma 72.68788660 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbV2Ge _chemical_formula_sum 'Nb1 V2 Ge1' _cell_volume 60.46519431 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.82240355 1 Nb Nb1 1 0.00000000 1.98863218 1.91120178 1 V V2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 1.98863218 0.00000000 1.91120178 1 [/CIF]
GeNbV2
I-4m2
119
tetragonal
-42m
7,344.3398
false
[CIF] data_LiTaNbTl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70489909 _cell_length_b 4.70489909 _cell_length_c 4.70489909 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTaNbTl _chemical_formula_sum 'Li1 Ta1 Nb1 Tl1' _cell_volume 73.64375783 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.00000000 0.00000000 0.00000000 1 Nb Nb1 1 4.99029908 4.99029908 4.99029908 1 Ta Ta2 1 1.66343303 1.66343303 1.66343302 1 Tl Tl3 1 3.32686605 3.32686605 3.32686605 1 [/CIF]
LiNbTaTl
F-43m
216
cubic
-43m
10,939.935399
false
[CIF] data_HfMnMo4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23776042 _cell_length_b 5.23776042 _cell_length_c 5.23776042 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMnMo4 _chemical_formula_sum 'Hf1 Mn1 Mo4' _cell_volume 101.60659326 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 5.55548387 5.55548387 5.55548387 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Mo Mo2 1 4.62724500 4.62724500 2.78006682 1 Mo Mo3 1 4.62724500 2.78006682 4.62724500 1 Mo Mo4 1 2.78006682 4.62724500 4.62724500 1 Mo Mo5 1 2.78006682 2.78006682 2.78006682 1 [/CIF]
HfMnMo4
F-43m
216
cubic
-43m
10,087.905424
false
[CIF] data_LiVSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03542900 _cell_length_b 5.03542900 _cell_length_c 5.03542900 _cell_angle_alpha 127.86535348 _cell_angle_beta 123.47697848 _cell_angle_gamma 80.47895765 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiVSb2 _chemical_formula_sum 'Li1 V1 Sb2' _cell_volume 81.11428220 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sb Sb1 1 -0.00000000 2.38425866 1.92764593 1 Sb Sb2 1 2.21270315 -0.00000000 1.91615436 1 V V3 1 0.00000000 0.00000000 3.84380029 1 [/CIF]
LiSb2V
Immm
71
orthorhombic
mmm
6,170.191148
false
[CIF] data_Na2ZnRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66932607 _cell_length_b 4.66932607 _cell_length_c 4.66932607 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2ZnRh _chemical_formula_sum 'Na2 Zn1 Rh1' _cell_volume 71.98592863 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.65085606 1.65085606 1.65085606 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Rh Rh2 1 4.95256819 4.95256820 4.95256820 1 Zn Zn3 1 3.30171213 3.30171213 3.30171213 1 [/CIF]
Na2RhZn
F-43m
216
cubic
-43m
4,942.569665
false
[CIF] data_La2InCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.53154665 _cell_length_b 3.53154665 _cell_length_c 9.32822138 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2InCu _chemical_formula_sum 'La2 In1 Cu1' _cell_volume 116.33991421 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 0.00000000 0.00000000 0.00000000 1 In In1 1 0.00000000 0.00000000 4.66411069 1 La La2 1 1.76577333 1.76577333 7.02949195 1 La La3 1 1.76577333 1.76577333 2.29872943 1 [/CIF]
CuInLa2
P4/mmm
123
tetragonal
4/mmm
6,511.061266
false
[CIF] data_ZrTaInAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88166844 _cell_length_b 4.88166844 _cell_length_c 4.88166844 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTaInAg _chemical_formula_sum 'Zr1 Ta1 In1 Ag1' _cell_volume 82.26021501 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.17779129 5.17779129 5.17779129 1 In In1 1 3.45186086 3.45186086 3.45186086 1 Ta Ta2 1 1.72593043 1.72593043 1.72593043 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgInTaZr
F-43m
216
cubic
-43m
9,989.411943
false
[CIF] data_SrSnAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66185001 _cell_length_b 4.66185001 _cell_length_c 4.93671434 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrSnAs _chemical_formula_sum 'Sr1 Sn1 As1' _cell_volume 92.91486993 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.34390771 1 Sn Sn1 1 2.33092501 1.34576018 1.17601989 1 Sr Sr2 1 0.00000000 2.69152036 3.41678673 1 [/CIF]
AsSnSr
P3m1
156
trigonal
3m
5,026.421168
false
[CIF] data_HfSi2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05388158 _cell_length_b 5.05388158 _cell_length_c 5.37992178 _cell_angle_alpha 93.40658235 _cell_angle_beta 93.40658235 _cell_angle_gamma 41.68222767 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfSi2Br _chemical_formula_sum 'Hf1 Si2 Br1' _cell_volume 91.19421462 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.00000000 0.00000000 0.00000000 1 Hf Hf1 1 4.55217850 -0.00000000 2.68451822 1 Si Si2 1 7.29015797 0.00000000 2.05963942 1 Si Si3 1 1.81419902 0.00000000 3.30939701 1 [/CIF]
BrHfSi2
C2/m
12
monoclinic
2/m
5,727.857558
false
[CIF] data_TlSeCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.06735202 _cell_length_b 4.06735202 _cell_length_c 7.41011745 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 115.00615644 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlSeCl2 _chemical_formula_sum 'Tl1 Se1 Cl2' _cell_volume 111.09705925 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.18520235 0.00000000 5.84180929 1 Cl Cl1 1 2.18520235 0.00000000 1.56830816 1 Se Se2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 0.00000000 0.00000000 3.70505873 1 [/CIF]
Cl2SeTl
Cmmm
65
orthorhombic
mmm
5,294.872843
false
[CIF] data_Ce3Sn5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.54813103 _cell_length_b 6.54813103 _cell_length_c 10.49524100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 77.33763533 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce3Sn5 _chemical_formula_sum 'Ce6 Sn10' _cell_volume 439.07021881 _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 Ce Ce0 1 5.11258800 1.03691345 2.62381025 1 Ce Ce1 1 5.11258800 -1.03691345 7.87143075 1 Ce Ce2 1 2.08151863 0.00000000 5.24762050 1 Ce Ce3 1 2.08151863 0.00000000 0.00000000 1 Ce Ce4 1 8.14365737 -0.00000000 5.24762050 1 Ce Ce5 1 8.14365737 -0.00000000 0.00000000 1 Sn Sn6 1 5.11258800 -3.95026881 2.62381025 1 Sn Sn7 1 5.11258800 3.95026881 7.87143075 1 Sn Sn8 1 5.11258800 -1.51956642 0.47923369 1 Sn Sn9 1 5.11258800 1.51956642 10.01600731 1 Sn Sn10 1 5.11258800 -1.51956642 4.76838681 1 Sn Sn11 1 5.11258800 1.51956642 5.72685419 1 Sn Sn12 1 7.34039311 -1.76288542 2.62381025 1 Sn Sn13 1 7.34039311 1.76288542 7.87143075 1 Sn Sn14 1 2.88478289 1.76288542 7.87143075 1 Sn Sn15 1 2.88478289 -1.76288542 2.62381025 1 [/CIF]
Ce6Sn10
Cmcm
63
orthorhombic
mmm
7,669.011317
false
[CIF] data_Zr2RhPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34624957 _cell_length_b 4.34624957 _cell_length_c 4.30772449 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2RhPb _chemical_formula_sum 'Zr2 Rh1 Pb1' _cell_volume 81.37242163 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb Pb0 1 2.17312479 2.17312479 0.00000000 1 Rh Rh1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 2.17312479 0.00000000 2.15386225 1 Zr Zr3 1 0.00000000 2.17312479 2.15386225 1 [/CIF]
PbRhZr2
P4/mmm
123
tetragonal
4/mmm
10,051.370142
false
[CIF] data_RePtW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88646808 _cell_length_b 4.88646808 _cell_length_c 4.88646808 _cell_angle_alpha 148.13028579 _cell_angle_beta 130.31285990 _cell_angle_gamma 60.25030799 _symmetry_Int_Tables_number 1 _chemical_formula_structural RePtW _chemical_formula_sum 'Re1 Pt1 W1' _cell_volume 46.56241397 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00827591 1 Re Re1 1 0.00000000 -0.00000000 5.64799589 1 W W2 1 0.00000000 0.00000000 2.79664515 1 [/CIF]
PtReW
Imm2
44
orthorhombic
mm2
20,154.068983
false
[CIF] data_GaN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.21515655 _cell_length_b 3.21515655 _cell_length_c 3.21515655 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaN _chemical_formula_sum 'Ga1 N1' _cell_volume 23.50127233 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.13672950 1.13672950 1.13672950 1 N N1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GaN
F-43m
216
cubic
-43m
5,916.123857
false
[CIF] data_LiFeAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.02926911 _cell_length_b 4.02926911 _cell_length_c 4.02926911 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiFeAs _chemical_formula_sum 'Li1 Fe1 As1' _cell_volume 46.25554740 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 2.84912351 2.84912351 2.84912351 1 Fe Fe1 1 1.42456176 1.42456176 1.42456176 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsFeLi
F-43m
216
cubic
-43m
4,943.598389
false
[CIF] data_Sr2AlW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.09869857 _cell_length_b 3.09869857 _cell_length_c 10.49714005 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2AlW _chemical_formula_sum 'Sr2 Al1 W1' _cell_volume 100.79283367 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sr Sr1 1 1.54934929 1.54934929 2.65475527 1 Sr Sr2 1 1.54934929 1.54934929 7.84238478 1 W W3 1 0.00000000 0.00000000 5.24857003 1 [/CIF]
AlSr2W
P4/mmm
123
tetragonal
4/mmm
6,360.346064
false
[CIF] data_Li2HfTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08485698 _cell_length_b 3.08485698 _cell_length_c 9.31107558 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2HfTe _chemical_formula_sum 'Li2 Hf1 Te1' _cell_volume 88.60738507 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.65553779 1 Li Li1 1 1.54242849 1.54242849 7.10938070 1 Li Li2 1 1.54242849 1.54242849 2.20169488 1 Te Te3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfLi2Te
P4/mmm
123
tetragonal
4/mmm
5,996.407701
false
[CIF] data_YCrHgAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94043466 _cell_length_b 4.94043466 _cell_length_c 4.94043466 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YCrHgAs _chemical_formula_sum 'Y1 Cr1 Hg1 As1' _cell_volume 85.26690170 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Y Y0 1 3.49341485 3.49341485 3.49341485 1 Cr Cr1 1 0.00000000 -0.00000000 0.00000000 1 Hg Hg2 1 5.24012228 5.24012228 5.24012228 1 As As3 1 1.74670743 1.74670743 1.74670743 1 [/CIF]
AsCrHgY
F-43m
216
cubic
-43m
8,109.488604
false
[CIF] data_LaRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.77736871 _cell_length_b 3.77736871 _cell_length_c 7.20701737 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaRu _chemical_formula_sum 'La2 Ru2' _cell_volume 102.83343093 _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 La La0 1 1.88868436 0.00000000 5.23787003 1 La La1 1 0.00000000 1.88868436 1.96914734 1 Ru Ru2 1 1.88868436 0.00000000 0.48177686 1 Ru Ru3 1 0.00000000 1.88868436 6.72524051 1 [/CIF]
La2Ru2
P4/nmm
129
tetragonal
4/mmm
7,750.176949
false
[CIF] data_ZnSnP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65942615 _cell_length_b 4.65942615 _cell_length_c 4.65942615 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnSnP _chemical_formula_sum 'Zn1 Sn1 P1' _cell_volume 71.52902438 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P P0 1 0.00000000 0.00000000 0.00000000 1 Sn Sn1 1 1.64735592 1.64735592 1.64735592 1 Zn Zn2 1 3.29471183 3.29471183 3.29471183 1 [/CIF]
PSnZn
F-43m
216
cubic
-43m
4,992.683484
false
[CIF] data_CuNiHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20387257 _cell_length_b 5.20387257 _cell_length_c 4.64138143 _cell_angle_alpha 105.69621255 _cell_angle_beta 105.69621255 _cell_angle_gamma 33.10334743 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuNiHg2 _chemical_formula_sum 'Cu1 Ni1 Hg2' _cell_volume 65.85498103 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.46732807 -0.00000000 1.03423125 1 Hg Hg1 1 0.09475445 -0.00000000 0.22127257 1 Hg Hg2 1 1.36812416 -0.00000000 3.07684512 1 Ni Ni3 1 4.06959879 -0.00000000 2.34668924 1 [/CIF]
CuHg2Ni
Cm
8
monoclinic
m
13,198.065632
false
[CIF] data_SrTaCdBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41947668 _cell_length_b 5.41947668 _cell_length_c 5.41947668 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTaCdBi _chemical_formula_sum 'Sr1 Ta1 Cd1 Bi1' _cell_volume 112.55299539 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.83214871 3.83214871 3.83214871 1 Cd Cd1 1 1.91607435 1.91607435 1.91607435 1 Sr Sr2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 5.74822306 5.74822306 5.74822306 1 [/CIF]
BiCdSrTa
F-43m
216
cubic
-43m
8,703.903692
false
[CIF] data_TaCo2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26538101 _cell_length_b 4.26538101 _cell_length_c 4.26538101 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaCo2Mo _chemical_formula_sum 'Ta1 Co2 Mo1' _cell_volume 54.87297378 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.50803992 1.50803992 1.50803992 1 Mo Mo2 1 3.01607984 3.01607984 3.01607984 1 Ta Ta3 1 4.52411976 4.52411976 4.52411976 1 [/CIF]
Co2MoTa
F-43m
216
cubic
-43m
11,946.465677
false
[CIF] data_NaSrTaTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89370793 _cell_length_b 4.89370793 _cell_length_c 4.89370793 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSrTaTc _chemical_formula_sum 'Na1 Sr1 Ta1 Tc1' _cell_volume 82.87034349 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sr Sr1 1 5.19056109 5.19056109 5.19056109 1 Ta Ta2 1 3.46037406 3.46037406 3.46037406 1 Tc Tc3 1 1.73018703 1.73018703 1.73018703 1 [/CIF]
NaSrTaTc
F-43m
216
cubic
-43m
7,824.035096
false
[CIF] data_ReTeOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.01729560 _cell_length_b 3.01729560 _cell_length_c 6.51279081 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReTeOs _chemical_formula_sum 'Re1 Te1 Os1' _cell_volume 51.34917607 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Os Os0 1 1.50864781 0.87101820 0.09096923 1 Re Re1 1 0.00000002 1.74203642 2.09862987 1 Te Te2 1 0.00000000 0.00000000 4.32319171 1 [/CIF]
OsReTe
P3m1
156
trigonal
3m
16,299.640882
false
[CIF] data_MgTiAgRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53643872 _cell_length_b 4.53643872 _cell_length_c 4.53643872 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTiAgRh _chemical_formula_sum 'Mg1 Ti1 Ag1 Rh1' _cell_volume 66.01310299 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.20774658 3.20774658 3.20774658 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Rh Rh2 1 1.60387329 1.60387329 1.60387329 1 Ti Ti3 1 4.81161987 4.81161987 4.81161987 1 [/CIF]
AgMgRhTi
F-43m
216
cubic
-43m
7,117.411049
false
[CIF] data_CuRh2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.01728677 _cell_length_b 4.42471114 _cell_length_c 4.71407603 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.59158120 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuRh2Br _chemical_formula_sum 'Cu1 Rh2 Br1' _cell_volume 62.93249429 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 1.48430730 0.00000000 2.35691238 1 Cu Cu1 1 0.00000000 0.00000000 0.00000000 1 Rh Rh2 1 2.18354222 2.21235557 3.58186126 1 Rh Rh3 1 0.78507239 2.21235557 1.13196350 1 [/CIF]
BrCuRh2
P2/m
10
monoclinic
2/m
9,215.613357
false
[CIF] data_BaB2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54852824 _cell_length_b 4.54852824 _cell_length_c 4.54852824 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaB2Ru _chemical_formula_sum 'Ba1 B2 Ru1' _cell_volume 66.54228150 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.60814758 1.60814758 1.60814758 1 B B1 1 0.00000000 0.00000000 0.00000000 1 Ba Ba2 1 4.82444274 4.82444274 4.82444274 1 Ru Ru3 1 3.21629516 3.21629516 3.21629516 1 [/CIF]
B2BaRu
F-43m
216
cubic
-43m
6,488.68205
false
[CIF] data_Ni4Bi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.42067334 _cell_length_b 6.42067334 _cell_length_c 4.23597894 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni4Bi3 _chemical_formula_sum 'Ni4 Bi3' _cell_volume 151.23265438 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.60516834 2.78023311 2.11798947 1 Bi Bi1 1 3.21033667 0.00000000 2.11798947 1 Bi Bi2 1 -1.60516834 2.78023311 2.11798947 1 Ni Ni3 1 0.00000000 0.00000000 3.18514905 1 Ni Ni4 1 0.00000000 0.00000000 1.05082989 1 Ni Ni5 1 -0.00000000 3.70697748 0.00000000 1 Ni Ni6 1 3.21033667 1.85348874 0.00000000 1 [/CIF]
Bi3Ni4
P6/mmm
191
hexagonal
6/mmm
9,461.654264
false
[CIF] data_CuNiRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94125549 _cell_length_b 3.94125549 _cell_length_c 3.94125549 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuNiRh _chemical_formula_sum 'Cu1 Ni1 Rh1' _cell_volume 43.29011771 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.39344424 1.39344424 1.39344424 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Rh Rh2 1 4.18033272 4.18033272 4.18033272 1 [/CIF]
CuNiRh
F-43m
216
cubic
-43m
8,636.195092
false
[CIF] data_Zr2OsPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72280736 _cell_length_b 4.72280736 _cell_length_c 3.28381380 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2OsPd _chemical_formula_sum 'Zr2 Os1 Pd1' _cell_volume 73.24516916 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.36140368 2.36140368 0.00000000 1 Pd Pd1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 0.00000000 2.36140368 1.64190690 1 Zr Zr3 1 2.36140368 0.00000000 1.64190690 1 [/CIF]
OsPdZr2
P4/mmm
123
tetragonal
4/mmm
10,861.616607
false
[CIF] data_As2RuAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55636855 _cell_length_b 4.55636855 _cell_length_c 4.55636855 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural As2RuAu _chemical_formula_sum 'As2 Ru1 Au1' _cell_volume 66.88697250 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.83275865 4.83275865 4.83275865 1 As As1 1 1.61091955 1.61091955 1.61091955 1 Au Au2 1 3.22183910 3.22183910 3.22183910 1 Ru Ru3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As2AuRu
Fm-3m
225
cubic
m-3m
11,119.083817
false
[CIF] data_La2BeAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05789678 _cell_length_b 5.05789678 _cell_length_c 3.85538666 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2BeAs _chemical_formula_sum 'La2 Be1 As1' _cell_volume 98.62973463 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 2.52894839 2.52894839 0.00000000 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 La La2 1 0.00000000 2.52894839 1.92769333 1 La La3 1 2.52894839 0.00000000 1.92769333 1 [/CIF]
AsBeLa2
P4/mmm
123
tetragonal
4/mmm
6,090.40123
false
[CIF] data_AlHgOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.30254259 _cell_length_b 7.03424175 _cell_length_c 2.91112981 _cell_angle_alpha 83.51147923 _cell_angle_beta 73.15439063 _cell_angle_gamma 23.33413014 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlHgOs _chemical_formula_sum 'Al1 Hg1 Os1' _cell_volume 51.86158894 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 1.52120108 2.48206044 13.54439010 1 Hg Hg1 1 1.52120108 2.48206044 9.14716035 1 Os Os2 1 1.52120108 2.48206044 4.77959931 1 [/CIF]
AlHgOs
Fmm2
42
orthorhombic
mm2
13,377.449306
false
[CIF] data_ScTlB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.10306765 _cell_length_b 4.10306765 _cell_length_c 3.45184941 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTlB2 _chemical_formula_sum 'Sc1 Tl1 B2' _cell_volume 58.11245130 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 2.05153382 0.00000000 1.72592471 1 B B1 1 0.00000000 2.05153382 1.72592471 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 2.05153382 2.05153382 0.00000000 1 [/CIF]
B2ScTl
P4/mmm
123
tetragonal
4/mmm
7,742.603673
false
[CIF] data_Zn2BiPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25897615 _cell_length_b 4.25897615 _cell_length_c 4.16887372 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2BiPd _chemical_formula_sum 'Zn2 Bi1 Pd1' _cell_volume 75.61869116 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.12948807 2.12948807 0.00000000 1 Pd Pd1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 0.00000000 2.12948807 2.08443686 1 Zn Zn3 1 2.12948807 0.00000000 2.08443686 1 [/CIF]
BiPdZn2
P4/mmm
123
tetragonal
4/mmm
9,797.402769
false
[CIF] data_KHfGa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.49734614 _cell_length_b 3.49734614 _cell_length_c 7.92404651 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KHfGa2 _chemical_formula_sum 'K1 Hf1 Ga2' _cell_volume 96.92242039 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.74867307 1.74867307 2.50802150 1 Ga Ga1 1 1.74867307 1.74867307 5.41602501 1 Hf Hf2 1 0.00000000 0.00000000 3.96202326 1 K K3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ga2HfK
P4/mmm
123
tetragonal
4/mmm
6,116.947977
false
[CIF] data_VGeRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.80758415 _cell_length_b 3.66149369 _cell_length_c 5.48934797 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.26452510 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VGeRh2 _chemical_formula_sum 'V1 Ge1 Rh2' _cell_volume 56.41648892 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.06057038 0.00000000 2.74400556 1 Rh Rh1 1 1.28990140 1.83074685 4.14898733 1 Rh Rh2 1 1.39654198 1.83074685 1.33902378 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GeRh2V
P2/m
10
monoclinic
2/m
9,695.199488
false
[CIF] data_ZrCdNiRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55232680 _cell_length_b 4.55232680 _cell_length_c 4.55232680 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCdNiRu _chemical_formula_sum 'Zr1 Cd1 Ni1 Ru1' _cell_volume 66.70913299 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 3.21898115 3.21898115 3.21898115 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 4.82847173 4.82847173 4.82847173 1 Zr Zr3 1 1.60949057 1.60949057 1.60949057 1 [/CIF]
CdNiRuZr
F-43m
216
cubic
-43m
9,045.796474
false
[CIF] data_AlBBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94029357 _cell_length_b 3.87639079 _cell_length_c 6.51161679 _cell_angle_alpha 90.00000000 _cell_angle_beta 92.74254622 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlBBr2 _chemical_formula_sum 'Al1 B1 Br2' _cell_volume 99.34528265 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 1.81436226 0.00000000 3.25207926 1 B B1 1 0.00000000 0.00000000 0.00000000 1 Br Br2 1 3.03878393 1.93819540 1.55354857 1 Br Br3 1 0.58994060 1.93819540 4.95060994 1 [/CIF]
AlBBr2
P2/m
10
monoclinic
2/m
3,302.858527
false
[CIF] data_CaV2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.89882036 _cell_length_b 9.89882036 _cell_length_c 9.89882036 _cell_angle_alpha 16.10041024 _cell_angle_beta 16.10041024 _cell_angle_gamma 16.10041024 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaV2Cu _chemical_formula_sum 'Ca1 V2 Cu1' _cell_volume 65.02737974 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 14.65281474 1 V V2 1 -0.00000000 -0.00000000 7.04245868 1 V V3 1 0.00000000 0.00000000 22.26317079 1 [/CIF]
CaCuV2
R-3m
166
trigonal
-3m
5,247.826425
false
[CIF] data_HfBRuW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33449540 _cell_length_b 4.33449540 _cell_length_c 4.33449540 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfBRuW _chemical_formula_sum 'Hf1 B1 Ru1 W1' _cell_volume 57.58384263 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 1.53247555 1.53247555 1.53247555 1 W W1 1 4.59742664 4.59742664 4.59742664 1 Ru Ru2 1 3.06495109 3.06495109 3.06495109 1 B B3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BHfRuW
F-43m
216
cubic
-43m
13,674.771521
false
[CIF] data_LaBOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49931751 _cell_length_b 4.49931751 _cell_length_c 4.49931751 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaBOs2 _chemical_formula_sum 'La1 B1 Os2' _cell_volume 64.40579221 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 3.18149792 3.18149792 3.18149792 1 Os Os2 1 4.77224688 4.77224688 4.77224688 1 Os Os3 1 1.59074896 1.59074896 1.59074896 1 [/CIF]
BLaOs2
Fm-3m
225
cubic
m-3m
13,669.24791
false
[CIF] data_NaSiF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26634859 _cell_length_b 4.26634859 _cell_length_c 4.26634859 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSiF3 _chemical_formula_sum 'Na1 Si1 F3' _cell_volume 77.65492636 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Si Si1 1 2.13317429 2.13317429 2.13317429 1 F F2 1 2.13317429 0.00000000 2.13317429 1 F F3 1 2.13317429 2.13317429 0.00000000 1 F F4 1 0.00000000 2.13317429 2.13317429 1 [/CIF]
F3NaSi
Pm-3m
221
cubic
m-3m
2,310.931972
false
[CIF] data_Nb2VP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34566824 _cell_length_b 4.34566824 _cell_length_c 3.27544253 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 101.27906594 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2VP _chemical_formula_sum 'Nb2 V1 P1' _cell_volume 60.66150449 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.37800530 -1.67997307 1.63772126 1 Nb Nb1 1 1.37800529 1.67997307 1.63772126 1 P P2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 2.75601059 0.00000000 0.00000000 1 [/CIF]
Nb2PV
Cmmm
65
orthorhombic
mmm
7,328.747342
false
[CIF] data_Hf2AlW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55709388 _cell_length_b 4.55709388 _cell_length_c 3.58739998 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2AlW _chemical_formula_sum 'Hf2 Al1 W1' _cell_volume 74.49991074 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 0.00000000 2.27854694 1.79369999 1 Hf Hf2 1 2.27854694 0.00000000 1.79369999 1 W W3 1 2.27854694 2.27854694 0.00000000 1 [/CIF]
AlHf2W
P4/mmm
123
tetragonal
4/mmm
12,655.810232
false
[CIF] data_ZrNi2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.71529952 _cell_length_b 3.78534215 _cell_length_c 5.52025988 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrNi2Os _chemical_formula_sum 'Zr1 Ni2 Os1' _cell_volume 56.73909536 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.35764976 1.89267108 1.54392759 1 Ni Ni1 1 1.35764976 1.89267108 3.97633229 1 Os Os2 1 0.00000000 0.00000000 2.76012994 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ni2OsZr
Pmmm
47
orthorhombic
mmm
11,672.564138
false
[CIF] data_InCo2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.76528948 _cell_length_b 3.43765272 _cell_length_c 5.63532165 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InCo2Ni _chemical_formula_sum 'In1 Co2 Ni1' _cell_volume 53.56995876 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.38264474 1.71882636 1.18476642 1 Co Co1 1 1.38264474 1.71882636 4.45055523 1 In In2 1 0.00000000 0.00000000 2.81766083 1 Ni Ni3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Co2InNi
Pmmm
47
orthorhombic
mmm
9,032.00627
false
[CIF] data_Cu2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38217473 _cell_length_b 5.38217473 _cell_length_c 6.27056459 _cell_angle_alpha 106.52585356 _cell_angle_beta 106.52585356 _cell_angle_gamma 31.79784521 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu2Hg _chemical_formula_sum 'Cu4 Hg2' _cell_volume 91.43078210 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 6.70020242 0.00000000 5.19126422 1 Cu Cu1 1 1.79777846 0.00000000 0.79876590 1 Cu Cu2 1 7.79625041 0.00000000 2.72823326 1 Cu Cu3 1 0.70173048 0.00000000 3.26179687 1 Hg Hg4 1 4.52670228 0.00000000 1.34366529 1 Hg Hg5 1 3.97127861 -0.00000000 4.64636484 1 [/CIF]
Cu4Hg2
C2/m
12
monoclinic
2/m
11,902.528885
false
[CIF] data_HfSc2Be _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16268639 _cell_length_b 3.16268639 _cell_length_c 7.85159126 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfSc2Be _chemical_formula_sum 'Hf1 Sc2 Be1' _cell_volume 78.53621055 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 3.92579563 1 Sc Sc2 1 1.58134320 1.58134320 6.21870619 1 Sc Sc3 1 1.58134320 1.58134320 1.63288507 1 [/CIF]
BeHfSc2
P4/mmm
123
tetragonal
4/mmm
5,865.533763
false
[CIF] data_BPtRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.75537441 _cell_length_b 5.59253085 _cell_length_c 5.59253085 _cell_angle_alpha 37.44018637 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BPtRh2 _chemical_formula_sum 'B1 Pt1 Rh2' _cell_volume 52.39055873 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.02527624 1 Pt Pt1 1 1.37768721 -0.00000000 7.34281029 1 Rh Rh2 1 0.00000000 -0.00000000 0.49057256 1 Rh Rh3 1 1.37768721 -0.00000000 4.16204823 1 [/CIF]
BPtRh2
Amm2
38
orthorhombic
mm2
13,049.520982
false
[CIF] data_Ti2WSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94015316 _cell_length_b 4.94015316 _cell_length_c 4.46138157 _cell_angle_alpha 103.67279850 _cell_angle_beta 103.67279850 _cell_angle_gamma 38.10718494 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2WSe _chemical_formula_sum 'Ti2 W1 Se1' _cell_volume 65.05889677 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.76048885 0.00000000 1.03583461 1 Ti Ti1 1 0.04605760 -0.00000000 0.09052149 1 Ti Ti2 1 1.47786943 -0.00000000 3.22625801 1 W W3 1 4.05054635 -0.00000000 2.12682276 1 [/CIF]
SeTi2W
Cm
8
monoclinic
m
9,151.088371
false
[CIF] data_CuSiCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49045780 _cell_length_b 4.49045780 _cell_length_c 4.49045780 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuSiCl _chemical_formula_sum 'Cu1 Si1 Cl1' _cell_volume 64.02607218 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.58761658 1.58761658 1.58761658 1 Cu Cu1 1 3.17523316 3.17523316 3.17523316 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
ClCuSi
F-43m
216
cubic
-43m
3,295.981931
false
[CIF] data_KCaTaPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12245905 _cell_length_b 5.12245905 _cell_length_c 5.12245905 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCaTaPd _chemical_formula_sum 'K1 Ca1 Ta1 Pd1' _cell_volume 95.04307692 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.81106277 1.81106277 1.81106277 1 K K1 1 0.00000000 -0.00000000 0.00000000 1 Pd Pd2 1 5.43318830 5.43318830 5.43318830 1 Ta Ta3 1 3.62212553 3.62212553 3.62212553 1 [/CIF]
CaKPdTa
F-43m
216
cubic
-43m
6,404.053301
false
[CIF] data_MnCd2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25022264 _cell_length_b 5.25022264 _cell_length_c 2.80120161 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 113.67512604 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCd2Mo _chemical_formula_sum 'Mn1 Cd2 Mo1' _cell_volume 70.71605022 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.43597402 -2.19754137 1.40060081 1 Cd Cd1 1 1.43597402 2.19754137 1.40060081 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Mo Mo3 1 2.87194804 0.00000000 0.00000000 1 [/CIF]
Cd2MnMo
Cmmm
65
orthorhombic
mmm
8,822.577207
false
[CIF] data_HfBrN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.57774200 _cell_length_b 4.13081000 _cell_length_c 9.57588500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfBrN _chemical_formula_sum 'Hf2 Br2 N2' _cell_volume 141.52174042 _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 Hf Hf0 1 1.78887100 0.00000000 0.85982829 1 Hf Hf1 1 0.00000000 2.06540500 8.71605671 1 Br Br2 1 1.78887100 2.06540500 6.62569847 1 Br Br3 1 0.00000000 0.00000000 2.95018653 1 N N4 1 1.78887100 2.06540500 0.30481000 1 N N5 1 0.00000000 0.00000000 9.27107500 1 [/CIF]
Br2Hf2N2
Pmmn
59
orthorhombic
mmm
6,392.403072
false
[CIF] data_LaTcPtPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94570327 _cell_length_b 4.94570327 _cell_length_c 4.94570327 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTcPtPb _chemical_formula_sum 'La1 Tc1 Pt1 Pb1' _cell_volume 85.53998521 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.74857016 1.74857016 1.74857016 1 Pb Pb1 1 5.24571048 5.24571048 5.24571048 1 Pt Pt2 1 3.49714032 3.49714032 3.49714032 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
LaPbPtTc
F-43m
216
cubic
-43m
12,425.813072
false
[CIF] data_CsRuF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44911753 _cell_length_b 5.44911753 _cell_length_c 5.44911753 _cell_angle_alpha 96.97452875 _cell_angle_beta 96.97452875 _cell_angle_gamma 96.97452875 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsRuF6 _chemical_formula_sum 'Cs1 Ru1 F6' _cell_volume 157.88437294 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cs Cs0 1 -0.00000000 0.00000000 4.10625579 1 Ru Ru1 1 0.00000000 0.00000000 0.00000000 1 F F2 1 0.00000000 -3.17175330 3.85201559 1 F F3 1 -2.74681893 1.58587665 3.85201559 1 F F4 1 2.74681893 -1.58587665 4.36049598 1 F F5 1 -0.00000000 3.17175330 4.36049598 1 F F6 1 -2.74681893 -1.58587665 4.36049598 1 F F7 1 2.74681893 1.58587665 3.85201559 1 [/CIF]
CsF6Ru
R-3m
166
trigonal
-3m
3,659.709501
false
[CIF] data_Zn3BRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.07348432 _cell_length_b 4.07348432 _cell_length_c 4.07348432 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn3BRh _chemical_formula_sum 'Zn3 B1 Rh1' _cell_volume 67.59244351 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Zn Zn0 1 0.00000000 2.03674216 0.00000000 1 Zn Zn1 1 0.00000000 0.00000000 2.03674216 1 Zn Zn2 1 2.03674216 0.00000000 0.00000000 1 B B3 1 0.00000000 0.00000000 0.00000000 1 Rh Rh4 1 2.03674216 2.03674216 2.03674216 1 [/CIF]
BRhZn3
Pm-3m
221
cubic
m-3m
7,612.224038
false
[CIF] data_LaAl2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50208472 _cell_length_b 4.50208472 _cell_length_c 6.06273877 _cell_angle_alpha 104.70038147 _cell_angle_beta 104.70038147 _cell_angle_gamma 44.95286728 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaAl2Cu _chemical_formula_sum 'La1 Al2 Cu1' _cell_volume 83.48261276 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.88718068 -0.00000000 4.89872474 1 Al Al1 1 5.76801911 0.00000000 0.93090883 1 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1 La La3 1 3.32759989 0.00000000 2.91481679 1 [/CIF]
Al2CuLa
C2/m
12
monoclinic
2/m
5,100.300036
false
[CIF] data_NaLiFeTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27691702 _cell_length_b 4.27691702 _cell_length_c 4.27691702 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLiFeTc _chemical_formula_sum 'Na1 Li1 Fe1 Tc1' _cell_volume 55.31940190 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 3.02423703 3.02423703 3.02423703 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Na Na2 1 1.51211852 1.51211852 1.51211852 1 Tc Tc3 1 4.53635555 4.53635555 4.53635554 1 [/CIF]
FeLiNaTc
F-43m
216
cubic
-43m
5,543.654023
false
[CIF] data_BaCaRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.43811478 _cell_length_b 3.43811478 _cell_length_c 9.08641967 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCaRu2 _chemical_formula_sum 'Ba1 Ca1 Ru2' _cell_volume 107.40723439 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.71905739 1.71905739 3.93375623 1 Ca Ca1 1 0.00000000 0.00000000 7.61760057 1 Ru Ru2 1 1.71905739 1.71905739 0.63055682 1 Ru Ru3 1 0.00000000 0.00000000 1.44771589 1 [/CIF]
BaCaRu2
P4mm
99
tetragonal
4mm
5,867.847763
false
[CIF] data_NaSrNiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81243355 _cell_length_b 4.81243355 _cell_length_c 4.81243355 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSrNiIr _chemical_formula_sum 'Na1 Sr1 Ni1 Ir1' _cell_volume 78.80962132 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.40290440 3.40290440 3.40290440 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Ni Ni2 1 5.10435660 5.10435660 5.10435660 1 Sr Sr3 1 1.70145220 1.70145220 1.70145220 1 [/CIF]
IrNaNiSr
F-43m
216
cubic
-43m
7,617.323296
false
[CIF] data_NbAlPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.91621987 _cell_length_b 2.91621987 _cell_length_c 7.40741407 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbAlPd2 _chemical_formula_sum 'Nb1 Al1 Pd2' _cell_volume 62.99515528 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.56851514 1 Nb Nb1 1 1.45810993 1.45810993 5.51222281 1 Pd Pd2 1 0.00000000 0.00000000 7.40145058 1 Pd Pd3 1 1.45810993 1.45810993 2.03634657 1 [/CIF]
AlNbPd2
P4mm
99
tetragonal
4mm
8,771.314028
false
[CIF] data_SrSc2Ga _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20150828 _cell_length_b 5.20150828 _cell_length_c 5.20150828 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrSc2Ga _chemical_formula_sum 'Sr1 Sc2 Ga1' _cell_volume 99.51141131 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 0.00000000 0.00000000 0.00000000 1 Sc Sc1 1 1.83901089 1.83901089 1.83901089 1 Sc Sc2 1 5.51703267 5.51703267 5.51703267 1 Sr Sr3 1 3.67802178 3.67802178 3.67802178 1 [/CIF]
GaSc2Sr
Fm-3m
225
cubic
m-3m
4,125.921733
false
[CIF] data_ScSb2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.66661126 _cell_length_b 5.66661126 _cell_length_c 4.67379932 _cell_angle_alpha 104.11703427 _cell_angle_beta 104.11703427 _cell_angle_gamma 39.61816107 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScSb2Au _chemical_formula_sum 'Sc1 Sb2 Au1' _cell_volume 92.42814608 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.89987946 -0.00000000 1.05043167 1 Sb Sb1 1 -0.03175553 -0.00000000 0.20852810 1 Sb Sb2 1 1.70892344 -0.00000000 3.08177394 1 Sc Sc3 1 4.59937800 -0.00000000 2.43028338 1 [/CIF]
AuSb2Sc
Cm
8
monoclinic
m
8,721.32828
false
[CIF] data_VRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.65419619 _cell_length_b 7.45541124 _cell_length_c 5.17204304 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VRu _chemical_formula_sum 'V12 Ru12' _cell_volume 333.70327645 _cell_formula_units_Z 12 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ru Ru0 1 1.15222505 6.65642704 1.29301076 1 Ru Ru1 1 7.50197114 0.79898420 3.87903228 1 Ru Ru2 1 7.50197114 2.92872142 1.29301076 1 Ru Ru3 1 1.15222505 4.52668982 3.87903228 1 Ru Ru4 1 3.45040223 3.24247763 1.29301076 1 Ru Ru5 1 5.20379396 4.21293361 3.87903228 1 Ru Ru6 1 5.20379396 6.97018325 1.29301076 1 Ru Ru7 1 3.45040223 0.48522799 3.87903228 1 Ru Ru8 1 1.12148430 1.86385281 0.00000000 1 Ru Ru9 1 7.53271189 5.59155843 2.58602152 1 Ru Ru10 1 7.53271189 5.59155843 0.00000000 1 Ru Ru11 1 1.12148430 1.86385281 2.58602152 1 V V12 1 1.01797449 4.14516943 1.29301076 1 V V13 1 7.63622170 3.31024181 3.87903228 1 V V14 1 7.63622170 0.41746381 1.29301076 1 V V15 1 1.01797449 7.03794743 3.87903228 1 V V16 1 3.06752372 0.77474755 1.29301076 1 V V17 1 5.58667247 6.68066369 3.87903228 1 V V18 1 5.58667247 4.50245317 1.29301076 1 V V19 1 3.06752372 2.95295807 3.87903228 1 V V20 1 5.45849690 1.86385281 0.00000000 1 V V21 1 3.19569929 5.59155843 2.58602152 1 V V22 1 3.19569929 5.59155843 0.00000000 1 V V23 1 5.45849690 1.86385281 2.58602152 1 [/CIF]
Ru12V12
Pbcm
57
orthorhombic
mmm
9,077.083222
false
[CIF] data_Li2GaMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.68882540 _cell_length_b 2.68882540 _cell_length_c 8.78415721 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2GaMo _chemical_formula_sum 'Li2 Ga1 Mo1' _cell_volume 63.50754196 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.58406727 1 Li Li1 1 1.34441270 1.34441270 8.58747378 1 Li Li2 1 0.00000000 0.00000000 2.28407992 1 Mo Mo3 1 1.34441270 1.34441270 4.50477205 1 [/CIF]
GaLi2Mo
P4mm
99
tetragonal
4mm
4,695.106885
false
[CIF] data_ZnFe6Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.38586081 _cell_length_b 6.38586081 _cell_length_c 10.44112955 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.57346804 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnFe6Pt _chemical_formula_sum 'Zn4 Fe24 Pt4' _cell_volume 401.17635658 _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 Fe Fe0 1 3.68222463 -2.63545789 7.87026055 1 Fe Fe1 1 1.80293490 -1.32662469 9.16332198 1 Fe Fe2 1 5.56151436 1.32662469 9.16332198 1 Fe Fe3 1 3.68222463 2.63545789 7.87026055 1 Fe Fe4 1 5.56151436 -1.32662469 9.16332198 1 Fe Fe5 1 1.80293490 1.32662469 9.16332198 1 Fe Fe6 1 0.00000000 0.00000000 5.22056478 1 Fe Fe7 1 5.53612321 1.29221061 6.55164111 1 Fe Fe8 1 5.53612321 -1.29221061 6.55164111 1 Fe Fe9 1 3.68222463 -2.63545789 2.57086900 1 Fe Fe10 1 1.82832605 -1.29221061 3.88948844 1 Fe Fe11 1 5.53612321 1.29221061 3.88948844 1 Fe Fe12 1 3.68222463 2.63545789 2.57086900 1 Fe Fe13 1 5.53612321 -1.29221061 3.88948844 1 Fe Fe14 1 1.82832605 1.29221061 3.88948844 1 Fe Fe15 1 0.00000000 0.00000000 0.00000000 1 Fe Fe16 1 5.56151436 1.32662469 1.27780757 1 Fe Fe17 1 5.56151436 -1.32662469 1.27780757 1 Fe Fe18 1 3.68222463 0.00000000 5.22056478 1 Fe Fe19 1 1.82832605 1.29221061 6.55164111 1 Fe Fe20 1 1.82832605 -1.29221061 6.55164111 1 Fe Fe21 1 3.68222463 0.00000000 0.00000000 1 Fe Fe22 1 1.80293490 1.32662469 1.27780757 1 Fe Fe23 1 1.80293490 -1.32662469 1.27780757 1 Pt Pt24 1 3.68222463 -2.61197525 5.22056478 1 Pt Pt25 1 3.68222463 2.61197525 5.22056478 1 Pt Pt26 1 3.68222463 0.00000000 7.86498057 1 Pt Pt27 1 3.68222463 0.00000000 2.57614898 1 Zn Zn28 1 3.68222463 -2.58725412 0.00000000 1 Zn Zn29 1 3.68222463 2.58725412 0.00000000 1 Zn Zn30 1 0.00000000 0.00000000 7.85003545 1 Zn Zn31 1 0.00000000 0.00000000 2.59109410 1 [/CIF]
Fe24Pt4Zn4
Cmmm
65
orthorhombic
mmm
9,860.077308
false
[CIF] data_Al2SiCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86544869 _cell_length_b 4.86544869 _cell_length_c 4.86544869 _cell_angle_alpha 125.69222575 _cell_angle_beta 125.69222575 _cell_angle_gamma 80.39457903 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2SiCl _chemical_formula_sum 'Al2 Si1 Cl1' _cell_volume 73.29601683 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.22050300 1.85817948 1 Al Al1 1 0.00000000 0.00000000 0.00000000 1 Cl Cl2 1 2.22050300 -0.00000000 1.85817948 1 Si Si3 1 0.00000000 0.00000000 3.71635895 1 [/CIF]
Al2ClSi
I-4m2
119
tetragonal
-42m
2,662.026775
false
[CIF] data_InTc2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.83482865 _cell_length_b 4.18796472 _cell_length_c 5.41356236 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InTc2Rh _chemical_formula_sum 'In1 Tc2 Rh1' _cell_volume 64.27069136 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.70678118 1 Rh Rh1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 1.41741432 2.09398236 1.19509895 1 Tc Tc3 1 1.41741432 2.09398236 4.21846341 1 [/CIF]
InRhTc2
Pmmm
47
orthorhombic
mmm
10,736.053728
false
[CIF] data_TiNbZnIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67378150 _cell_length_b 4.67378150 _cell_length_c 4.67378150 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiNbZnIn _chemical_formula_sum 'Ti1 Nb1 Zn1 In1' _cell_volume 72.19219003 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.95729389 4.95729389 4.95729389 1 Nb Nb1 1 1.65243129 1.65243129 1.65243129 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 3.30486259 3.30486259 3.30486259 1 [/CIF]
InNbTiZn
F-43m
216
cubic
-43m
7,382.86947
false
[CIF] data_BaCu2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.38011838 _cell_length_b 3.38011838 _cell_length_c 6.97792232 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.80603419 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCu2P _chemical_formula_sum 'Ba1 Cu2 P1' _cell_volume 79.68455661 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.48896116 1 Cu Cu1 1 2.35213981 0.00000000 5.80485933 1 Cu Cu2 1 2.35213981 0.00000000 1.17306299 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaCu2P
Cmmm
65
orthorhombic
mmm
6,155.662304
false
[CIF] data_TaIr2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.87762519 _cell_length_b 4.23499607 _cell_length_c 5.26509888 _cell_angle_alpha 90.00000000 _cell_angle_beta 103.78966993 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaIr2Cl _chemical_formula_sum 'Ta1 Ir2 Cl1' _cell_volume 62.31495403 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 0.76482915 2.11749804 1.24879834 1 Ir Ir2 1 0.85781568 2.11749804 3.86454601 1 Ta Ta3 1 -0.62749018 0.00000000 2.55667218 1 [/CIF]
ClIr2Ta
P2/m
10
monoclinic
2/m
16,010.760281
false
[CIF] data_NaBeRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22673126 _cell_length_b 4.22673126 _cell_length_c 3.02472654 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaBeRh2 _chemical_formula_sum 'Na1 Be1 Rh2' _cell_volume 54.03751743 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Na Na1 1 2.11336563 2.11336563 0.00000000 1 Rh Rh2 1 2.11336563 0.00000000 1.51236327 1 Rh Rh3 1 0.00000000 2.11336563 1.51236327 1 [/CIF]
BeNaRh2
P4/mmm
123
tetragonal
4/mmm
7,307.843049
false
[CIF] data_CdRuS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90934581 _cell_length_b 4.90934581 _cell_length_c 4.90934581 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdRuS3 _chemical_formula_sum 'Cd1 Ru1 S3' _cell_volume 118.32346347 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ru Ru0 1 0.00000000 0.00000000 0.00000000 1 S S1 1 2.45467290 0.00000000 2.45467290 1 S S2 1 2.45467290 2.45467290 0.00000000 1 S S3 1 0.00000000 2.45467290 2.45467290 1 Cd Cd4 1 2.45467290 2.45467290 2.45467290 1 [/CIF]
CdRuS3
Pm-3m
221
cubic
m-3m
4,345.960479
false
[CIF] data_MgGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85352271 _cell_length_b 4.85352271 _cell_length_c 4.85352271 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgGa _chemical_formula_sum 'Mg2 Ga2' _cell_volume 80.84556491 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 5.14793823 5.14793823 5.14793823 1 Ga Ga1 1 3.43195882 3.43195882 3.43195882 1 Mg Mg2 1 1.71597941 1.71597941 1.71597941 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ga2Mg2
Fd-3m
227
cubic
m-3m
3,862.603163
false
[CIF] data_Hg2P4Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.84569994 _cell_length_b 5.79943434 _cell_length_c 7.23617276 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.80754038 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hg2P4Se _chemical_formula_sum 'Hg4 P8 Se2' _cell_volume 412.97618457 _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 Hg Hg0 1 6.50995951 0.00971057 0.04568302 1 Hg Hg1 1 3.22161767 0.00971057 3.57060306 1 Hg Hg2 1 3.10749491 5.78972377 7.18688914 1 Hg Hg3 1 6.39583675 5.78972377 3.66196911 1 P P4 1 6.02139113 1.64041141 1.85988183 1 P P5 1 3.71018605 1.64041141 1.75640426 1 P P6 1 3.59606329 4.15902293 5.37269034 1 P P7 1 5.90726837 4.15902293 5.47616791 1 P P8 1 0.61268135 4.96342953 0.06610759 1 P P9 1 9.11889583 4.96342953 3.55017849 1 P P10 1 9.00477307 0.83600481 7.16646458 1 P P11 1 0.49855859 0.83600481 3.68239367 1 Se Se12 1 -0.17118414 3.76220829 5.42442913 1 Se Se13 1 -0.05706138 2.03722605 1.80814304 1 [/CIF]
Hg4P8Se2
P2/c
13
monoclinic
2/m
4,857.538194
false
[CIF] data_NdGa2Co3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.08670242 _cell_length_b 9.08670242 _cell_length_c 3.84615200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdGa2Co3 _chemical_formula_sum 'Nd3 Ga6 Co9' _cell_volume 275.02342484 _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 Co Co0 1 4.54335121 0.00000000 0.00000000 1 Co Co1 1 2.48097521 1.43239170 0.00000000 1 Co Co2 1 6.60572721 1.43239170 0.00000000 1 Co Co3 1 0.00000000 2.86478341 0.00000000 1 Co Co4 1 2.27167560 3.93465756 0.00000000 1 Co Co5 1 -2.27167560 3.93465756 0.00000000 1 Co Co6 1 4.54335121 5.00453172 0.00000000 1 Co Co7 1 -2.06237600 6.43692342 0.00000000 1 Co Co8 1 2.06237600 6.43692342 0.00000000 1 Ga Ga9 1 2.87583255 0.00000000 1.92307600 1 Ga Ga10 1 6.21086987 0.00000000 1.92307600 1 Ga Ga11 1 -1.43791627 2.49054404 1.92307600 1 Ga Ga12 1 1.43791627 2.49054404 1.92307600 1 Ga Ga13 1 3.10543493 5.37877109 1.92307600 1 Ga Ga14 1 -3.10543493 5.37877109 1.92307600 1 Nd Nd15 1 0.00000000 0.00000000 0.00000000 1 Nd Nd16 1 4.54335121 2.62310504 1.92307600 1 Nd Nd17 1 0.00000000 5.24621009 1.92307600 1 [/CIF]
Co9Ga6Nd3
P6/mmm
191
hexagonal
6/mmm
8,341.47863
false
[CIF] data_SbTe5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.09085926 _cell_length_b 6.09085926 _cell_length_c 6.00961043 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SbTe5 _chemical_formula_sum 'Sb1 Te5' _cell_volume 193.07857312 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sb Sb0 1 0.00000000 0.00000000 0.00000000 1 Te Te1 1 3.04542963 1.75827962 0.00000000 1 Te Te2 1 -0.00000000 3.51655923 0.00000000 1 Te Te3 1 -1.52271481 2.63741943 3.00480522 1 Te Te4 1 1.52271481 2.63741943 3.00480522 1 Te Te5 1 3.04542963 0.00000000 3.00480522 1 [/CIF]
SbTe5
P6/mmm
191
hexagonal
6/mmm
6,534.185233
false
[CIF] data_NaTl2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.31725038 _cell_length_b 3.90861177 _cell_length_c 7.63478486 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTl2Pt _chemical_formula_sum 'Na1 Tl2 Pt1' _cell_volume 98.99142855 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.13394237 1 Pt Pt1 1 1.65862519 1.95430589 5.88926011 1 Tl Tl2 1 0.00000000 0.00000000 7.22019321 1 Tl Tl3 1 1.65862519 1.95430589 1.84356638 1 [/CIF]
NaPtTl2
Pmm2
25
orthorhombic
mm2
10,514.980307
false
[CIF] data_YCd3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.43776853 _cell_length_b 3.43776853 _cell_length_c 8.06189883 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YCd3 _chemical_formula_sum 'Y1 Cd3' _cell_volume 95.27755573 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.71888427 1.71888427 2.14644267 1 Cd Cd1 1 1.71888427 1.71888427 5.91545616 1 Cd Cd2 1 0.00000000 0.00000000 4.03094942 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cd3Y
P4/mmm
123
tetragonal
4/mmm
7,426.934946
false
[CIF] data_CrCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15563524 _cell_length_b 4.86294516 _cell_length_c 4.96167527 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrCd _chemical_formula_sum 'Cr2 Cd2' _cell_volume 76.14028650 _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 1.57781762 0.00000000 2.96258815 1 Cd Cd1 1 0.00000000 2.43147258 1.99908712 1 Cr Cr2 1 1.57781762 2.43147258 4.56569605 1 Cr Cr3 1 0.00000000 0.00000000 0.39597922 1 [/CIF]
Cd2Cr2
Pmmn
59
orthorhombic
mmm
7,171.089706
false
[CIF] data_KCaV2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.85461799 _cell_length_b 5.85461799 _cell_length_c 7.38759245 _cell_angle_alpha 92.53824492 _cell_angle_beta 92.53824492 _cell_angle_gamma 29.91735605 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCaV2 _chemical_formula_sum 'K1 Ca1 V2' _cell_volume 126.16139237 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.48689577 -0.00000000 3.68991335 1 K K1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 8.41096110 -0.00000000 2.82558701 1 V V3 1 2.56283044 0.00000000 4.55423968 1 [/CIF]
CaKV2
C2/m
12
monoclinic
2/m
2,383.106554
false
[CIF] data_AlHgF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00985337 _cell_length_b 4.00985337 _cell_length_c 4.00985337 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlHgF3 _chemical_formula_sum 'Al1 Hg1 F3' _cell_volume 64.47412778 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 F F1 1 2.00492669 0.00000000 0.00000000 1 F F2 1 0.00000000 2.00492669 0.00000000 1 F F3 1 0.00000000 0.00000000 2.00492669 1 Hg Hg4 1 2.00492669 2.00492669 2.00492669 1 [/CIF]
AlF3Hg
Pm-3m
221
cubic
m-3m
7,329.051492
false
[CIF] data_LiCa4Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.32182338 _cell_length_b 6.32182338 _cell_length_c 6.32182338 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCa4Ir _chemical_formula_sum 'Li1 Ca4 Ir1' _cell_volume 178.65372532 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.57575314 5.57575314 3.36465522 1 Ca Ca1 1 5.57575314 3.36465522 5.57575314 1 Ca Ca2 1 3.36465522 5.57575314 5.57575314 1 Ca Ca3 1 3.36465522 3.36465522 3.36465522 1 Ir Ir4 1 6.70530627 6.70530627 6.70530627 1 Li Li5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ca4IrLi
F-43m
216
cubic
-43m
3,341.178457
false
[CIF] data_HfSnSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94235966 _cell_length_b 4.94235966 _cell_length_c 4.94235966 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfSnSe2 _chemical_formula_sum 'Hf1 Sn1 Se2' _cell_volume 85.36661121 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 3.49477603 3.49477603 3.49477603 1 Se Se1 1 5.24216405 5.24216405 5.24216405 1 Se Se2 1 1.74738802 1.74738802 1.74738802 1 Sn Sn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfSe2Sn
Fm-3m
225
cubic
m-3m
8,852.928908
false
[CIF] data_LaTc2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75413283 _cell_length_b 4.75413283 _cell_length_c 3.61916582 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTc2Pb _chemical_formula_sum 'La1 Tc2 Pb1' _cell_volume 81.79958590 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 2.37706641 2.37706641 0.00000000 1 Tc Tc2 1 2.37706641 0.00000000 1.80958291 1 Tc Tc3 1 0.00000000 2.37706641 1.80958291 1 [/CIF]
LaPbTc2
P4/mmm
123
tetragonal
4/mmm
11,041.58245
false
[CIF] data_NaYMgSc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40530574 _cell_length_b 5.40530574 _cell_length_c 5.40530574 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaYMgSc _chemical_formula_sum 'Na1 Y1 Mg1 Sc1' _cell_volume 111.67238537 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.91106417 1.91106417 1.91106417 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Sc Sc2 1 5.73319251 5.73319251 5.73319251 1 Y Y3 1 3.82212834 3.82212834 3.82212834 1 [/CIF]
MgNaScY
F-43m
216
cubic
-43m
2,693.750083
false
[CIF] data_Ta2BeCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60782101 _cell_length_b 4.60782101 _cell_length_c 4.60782101 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2BeCd _chemical_formula_sum 'Ta2 Be1 Cd1' _cell_volume 69.17860546 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Cd Cd1 1 1.62911074 1.62911074 1.62911074 1 Ta Ta2 1 3.25822148 3.25822148 3.25822148 1 Ta Ta3 1 4.88733222 4.88733222 4.88733222 1 [/CIF]
BeCdTa2
F-43m
216
cubic
-43m
11,601.418956
false
[CIF] data_NaTi2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.88309523 _cell_length_b 2.88309523 _cell_length_c 10.03009235 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 111.56160225 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTi2Mo _chemical_formula_sum 'Na1 Ti2 Mo1' _cell_volume 77.53835591 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.01504617 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Ti Ti2 1 1.62133884 0.00000000 2.98718006 1 Ti Ti3 1 1.62133884 0.00000000 7.04291229 1 [/CIF]
MoNaTi2
Cmmm
65
orthorhombic
mmm
4,597.605684
false