Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm001747648 | BiIO2Tc | data_[Tc1Bi1I1O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
Bi 2.0200 1.6000 1.0350
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.2536]
_cell_length_b [4.253... |
agm003753996 | ReSe4V | data_[V4Re4Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Re 1.9000 1.3500 0.7125
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [8.4852]
_cell_length_b [8.4852]
_cell_length_c [7.0305]
_c... |
agm003482193 | La2NdPr6 | data_[La4Pr12Nd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pr 1.1300 1.8500 1.0600
Nd 1.1400 1.8500 1.2765
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [8.3484]
_cell_length_b [8.3484]
_cell_length_c [10.681... |
agm006047834 | Li4Si2Zn | data_[Li4Zn1Si2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Zn 1.6500 1.3500 0.8800
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.8928]
_cell_length_b [3.8928]
_cell_length_c [9.0091]
_c... |
agm004834336 | IInPr4Te2 | data_[Pr4In1Te2I1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
In 1.7800 1.5500 0.9400
Te 2.1000 1.4000 1.2933
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.8576]
_cell_length_b [4.525... |
agm002020090 | Ga2SSi2 | data_[Ga2Si2S1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Si 1.9000 1.1000 0.5400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.6936]
_cell_length_b [3.7435]
_cell_length_c [6.2253]
_cell_a... |
agm002850064 | Ba2LiZr | data_[Ba8Li4Zr4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Li 0.9800 1.4500 0.9000
Zr 1.3300 1.5500 0.8600
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [4.9559]
_cell_length_b [4.9559]
_cell_length_c [23.8365]
_... |
oqmd-9794046 | Ga2Li2Mg2PdRu | data_[Li2Mg2Ga2Pd1Ru1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mg 1.3100 1.5000 0.8600
Ga 1.8100 1.3000 0.7600
Pd 2.2000 1.4000 0.8462
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_leng... |
agm004729870 | ErNd4S8Sm3 | data_[Nd12Sm9Er3S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Sm 1.1700 1.8500 1.2290
Er 1.2400 1.7500 1.0300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.0281]
_cell_length_b [8.0... |
agm001354238 | AgErLaPb | data_[La4Er4Ag4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Er 1.2400 1.7500 1.0300
Ag 1.9300 1.6000 1.0867
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.6476]
_cell_length_b [7.... |
agm2000034759 | Cr3N4 | data_[Cr12N16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pcca]
_cell_length_a [6.2646]
_cell_length_b [19.4758]
_cell_length_c [7.5761]
_cell_angle_alpha [90.0000]
_cell_... |
agm003185118 | BiMg | data_[Mg2Bi2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.4947]
_cell_length_b [5.6950]
_cell_length_c [5.7816]
_cell_angle_alpha [97.6954]
_cell_an... |
agm001777558 | CuOPS2 | data_[Cu1P1S2O1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
P 2.1900 1.0000 0.5500
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5529]
_cell_length_b [4.5529]... |
agm001612907 | Cd2CsNaPt | data_[Cs1Na1Cd2Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Na 0.9300 1.8000 1.1600
Cd 1.6900 1.5500 1.0900
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.4149]
_cell_length_b [5... |
agm003836727 | Hg2RuTe | data_[Hg4Te2Ru2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
Te 2.1000 1.4000 1.2933
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.8753]
_cell_length_b [3.3042]
_cell_length_c [6.5554]
_cell... |
agm004999053 | HoSmTh2Tm | data_[Sm4Ho4Tm4Th8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ho 1.2300 1.7500 1.0410
Tm 1.2500 1.7500 1.0950
Th 1.3000 1.8000 1.0800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.6435]
_cell_length_b [15.... |
agm002285736 | GeIn2Mg | data_[Mg4In8Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
In 1.7800 1.5500 0.9400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2669]
_cell_length_b [7.2669]
_cell_length_c [7.2669]
_c... |
oqmd-6813696 | Ag2Al2AuLi2Zn | data_[Li2Al2Zn1Ag2Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Al 1.6100 1.2500 0.6750
Zn 1.6500 1.3500 0.8800
Ag 1.9300 1.6000 1.0867
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_leng... |
agm004773068 | Au4BiKSb2 | data_[K1Bi1Sb2Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Bi 2.0200 1.6000 1.0350
Sb 2.0500 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0625]
_cell_length_b [5.0... |
oqmd-3169445 | CoGeIrMo | data_[Co4Ge4Mo4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Ge 2.0100 1.2500 0.7700
Mo 2.1600 1.4500 0.7750
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.0883]
_cell_length_b [6.... |
oqmd-3548262 | SnTiY | data_[Y4Ti4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ti 1.5400 1.4000 0.8517
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.9216]
_cell_length_b [6.9216]
_cell_length_c [6.9216]
_cel... |
agm001273994 | EuInPr | data_[Pr1Eu1In1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Eu 1.2000 1.8500 1.1985
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.4538]
_cell_length_b [5.4538]
_cell_length_c [3.6815]
_ce... |
agm001970915 | Gd2HoIn | data_[Gd6Ho3In3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Ho 1.2300 1.7500 1.0410
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.5056]
_cell_length_b [3.5056]
_cell_length_c [36.2907]
_c... |
agm005691634 | Ba6HIn2 | data_[Ba12In4H2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
In 1.7800 1.5500 0.9400
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.7279]
_cell_length_b [10.6240]
_cell_length_c [11.0138]
... |
agm004833758 | ScSm2TbTe4 | data_[Tb1Sm2Sc1Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Sm 1.1700 1.8500 1.2290
Sc 1.3600 1.6000 0.8850
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.5306]
_cell_length_b [4.3... |
oqmd-8894447 | AuHfLiSe3 | data_[Li2Hf2Au2Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Hf 1.3000 1.5500 0.8500
Au 2.5400 1.3500 1.0700
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.6308]
_cell_length_b [3... |
agm005945955 | Pd3SbSr3 | data_[Sr12Sb4Pd12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Sb 2.0500 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.5105]
_cell_length_b [11.1789]
_cell_length_c [14.8409]... |
agm001035579 | AgNdZn | data_[Nd2Zn2Ag2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Zn 1.6500 1.3500 0.8800
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.1901]
_cell_length_b [5.2399]
_cell_length_c [5.6403]
_... |
agm004430158 | BaBrOs2 | data_[Ba1Os2Br1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Os 2.2000 1.3000 0.6730
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.0031]
_cell_length_b [5.9715]
_cell_length_c [4.6854]
_ce... |
agm005141624 | Na2Pd5SbZn2 | data_[Na4Zn4Sb2Pd10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Zn 1.6500 1.3500 0.8800
Sb 2.0500 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.7214]
_cell_length_b [... |
agm004746815 | AsH2SrZn2 | data_[Sr2Zn4As2H4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Zn 1.6500 1.3500 0.8800
As 2.1800 1.1500 0.6600
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.0710]
_cell_length_b [5.7... |
agm001028340 | HfScSe | data_[Hf4Sc4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Sc 1.3600 1.6000 0.8850
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [6.3948]
_cell_length_b [6.3948]
_cell_length_c [6.3948]
_c... |
oqmd-9914785 | AgErHo2Ir2Zn3 | data_[Ho4Er2Zn6Ag2Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Er 1.2400 1.7500 1.0300
Zn 1.6500 1.3500 0.8800
Ag 1.9300 1.6000 1.0867
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Amm2]
_cell_lengt... |
oqmd-8986625 | Hf4N3Nb2Sn3 | data_[Hf16Nb8Sn12N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Nb 1.6000 1.4500 0.8200
Sn 1.9600 1.4500 0.8300
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.8208]
_cell_length_b [5.... |
agm002818744 | CoRbTa2 | data_[Rb4Ta8Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ta 1.5000 1.4500 0.8200
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [5.4654]
_cell_length_b [5.4654]
_cell_length_c [15.8327... |
agm001341191 | CuGaIrMg | data_[Mg4Ga4Cu4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.1404]
_cell_length_b [6.... |
agm005198274 | CCdHfZr | data_[Hf3Zr3Cd3C3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Zr 1.3300 1.5500 0.8600
Cd 1.6900 1.5500 1.0900
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.3140]
_cell_length_b [3.3140... |
agm004647777 | Ac6Ir2RhTl3 | data_[Ac12Tl6Ir4Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Tl 1.6200 1.9000 1.3325
Ir 2.2000 1.3500 0.7650
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4549]
_cell_length_b [12... |
agm003516864 | I8In2U | data_[U2In4I16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
In 1.7800 1.5500 0.9400
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.6801]
_cell_length_b [11.0764]
_cell_length_c [10.0159]
_ce... |
agm006040557 | BaCu4S4 | data_[Ba2Cu8S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [9.5014]
_cell_length_b [9.5014]
_cell_length_c [3.8422]
_cell... |
agm003319195 | Sc7Tb2Th2 | data_[Tb4Th4Sc14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Th 1.3000 1.8000 1.0800
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5912]
_cell_length_b [10.7690]
_cell_length_c [5.8417]
... |
agm001663865 | HOs2PtTa | data_[Ta1H1Os2Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
H 2.2000 0.2500 0.0000
Os 2.2000 1.3000 0.6730
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0217]
_cell_length_b [4.0... |
agm2000043733 | AlF3 | data_[Al2F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [8.2218]
_cell_length_b [8.2218]
_cell_length_c [15.0007]
_cell_angle_alpha [90.0000]
_cell_... |
agm005187937 | DyInNdPb | data_[Nd2Dy2In2Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Dy 1.2200 1.7500 1.1310
In 1.7800 1.5500 0.9400
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [5.0359]
_cell_length_b [5.... |
agm005461794 | Au4BeIr | data_[Be4Ir4Au16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Ir 2.2000 1.3500 0.7650
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.5836]
_cell_length_b [7.5836]
_cell_length_c [7.5836]
_... |
agm005620311 | Al2Ga9In3 | data_[Al4In6Ga18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
In 1.7800 1.5500 0.9400
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.1326]
_cell_length_b [11.0052]
_cell_length_c [12.5913]
... |
agm002382142 | InRh2Si | data_[In2Si2Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Si 1.9000 1.1000 0.5400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.7003]
_cell_length_b [4.6352]
_cell_length_c [7.3308]
_ce... |
agm001707385 | GeI2OZr | data_[Zr1Ge1I2O1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ge 2.0100 1.2500 0.7700
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.8585]
_cell_length_b [5.858... |
oqmd-6099299 | Er3ReSc3Te2 | data_[Er3Sc3Re1Te2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Sc 1.3600 1.6000 0.8850
Re 1.9000 1.3500 0.7125
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.0043]
_cell_length_b [8.... |
agm002840575 | Bi2IPb | data_[Bi8Pb4I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
Pb 2.3300 1.8000 1.1225
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [7.9641]
_cell_length_b [7.9641]
_cell_length_c [11.9168]
_ce... |
oqmd-2596315 | CuTcTlZn | data_[Tl4Zn4Cu4Tc4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.3572]
_cell_length_b [6.... |
agm005154904 | CdCl5Cs2Na | data_[Cs8Na4Cd4Cl20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Na 0.9300 1.8000 1.1600
Cd 1.6900 1.5500 1.0900
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3460]
_cell_length_b [... |
agm005525730 | Cu4P5 | data_[Cu8P10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [7.7213]
_cell_length_b [7.7213]
_cell_length_c [4.8364]
_cell_angle_alpha [90.0000]
_cel... |
agm004258076 | Cd2CoMg | data_[Mg3Cd6Co3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Cd 1.6900 1.5500 1.0900
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.0221]
_cell_length_b [3.0221]
_cell_length_c [28.4240]
_c... |
agm001043902 | AuInSc | data_[Sc6In6Au6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
In 1.7800 1.5500 0.9400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.7630]
_cell_length_b [4.7630]
_cell_length_c [23.1761]
_ce... |
agm004569819 | Ba2Ge2LiS6 | data_[Ba4Li2Ge4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Li 0.9800 1.4500 0.9000
Ge 2.0100 1.2500 0.7700
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.0101]
_cell_length_b [6.9... |
agm004053958 | Ca2SiTl | data_[Ca4Tl2Si2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Tl 1.6200 1.9000 1.3325
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.5412]
_cell_length_b [4.5412]
_cell_length_c [10.3697]
_... |
agm002281700 | HoIn2Np | data_[Ho4Np4In8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Np 1.3600 1.7500 1.0000
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5184]
_cell_length_b [7.5184]
_cell_length_c [7.5184]
_c... |
agm005762611 | Bi3SnSr2 | data_[Sr8Sn4Bi12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Sn 1.9600 1.4500 0.8300
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.5802]
_cell_length_b [5.1266]
_cell_length_c [21.8588]
_... |
agm004309014 | PbSrZn2 | data_[Sr2Zn4Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Zn 1.6500 1.3500 0.8800
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.4065]
_cell_length_b [4.1241]
_cell_length_c [11.7324]
_c... |
agm003618540 | BaO2Tm | data_[Ba4Tm4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Tm 1.2500 1.7500 1.0950
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.7625]
_cell_length_b [10.8537]
_cell_length_c [6.4762]
_cel... |
agm003389859 | Be2Pt2Tb | data_[Tb4Be8Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Be 1.5700 1.0500 0.5900
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.2760]
_cell_length_b [6.1743]
_cell_length_c [9.7297]
_ce... |
agm005974038 | In4PuTb3 | data_[Tb3Pu1In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Pu 1.2800 1.7500 0.9675
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7705]
_cell_length_b [3.7705]
_cell_length_c [15.2072]
... |
agm005593294 | AcNi10Th | data_[Ac1Th1Ni10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Th 1.3000 1.8000 1.0800
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.9913]
_cell_length_b [5.0168]
_cell_length_c [8.6941]
_c... |
agm005715823 | Nd16Sm7Y6 | data_[Nd64Sm28Y24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Sm 1.1700 1.8500 1.2290
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [16.1020]
_cell_length_b [16.1020]
_cell_length_c [16.1020... |
agm002307288 | PbPdU2 | data_[U4Pd2Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Pd 2.2000 1.4000 0.8462
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8878]
_cell_length_b [3.9370]
_cell_length_c [4.4518]
_cel... |
agm001033968 | CuNSm | data_[Sm3Cu3N3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Cu 1.9000 1.3500 0.8200
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.8830]
_cell_length_b [3.8830]
_cell_length_c [14.2147]
_cell... |
agm005074684 | Br6GePbSr | data_[Sr2Ge2Pb2Br12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ge 2.0100 1.2500 0.7700
Pb 2.3300 1.8000 1.1225
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [7.4775]
_cell_length_b [7... |
agm001344043 | CoCuTaZr | data_[Zr4Ta4Co4Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ta 1.5000 1.4500 0.8200
Co 1.8800 1.3500 0.7683
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.3322]
_cell_length_b [6.... |
oqmd-2018042 | Li3Mo2O6 | data_[Li6Mo4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.1017]
_cell_length_b [8.5802]
_cell_length_c [5.1758]
_cel... |
agm002815119 | CdClTa2 | data_[Ta8Cd4Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Cd 1.6900 1.5500 1.0900
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [3.9800]
_cell_length_b [3.9800]
_cell_length_c [20.7810]
_... |
agm004373120 | Si2TcZn | data_[Zn2Si4Tc2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Si 1.9000 1.1000 0.5400
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.2335]
_cell_length_b [3.0134]
_cell_length_c [4.7126]
_ce... |
mp-27403 | F5LiU | data_[Li16U16F80]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
U 1.3800 1.7500 0.9913
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4_1/a]
_cell_length_a [14.9391]
_cell_length_b [14.9391]
_cell_length_c [6.5718]
... |
agm004588754 | Br7In2Pb2Rb | data_[Rb2In4Pb4Br14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
In 1.7800 1.5500 0.9400
Pb 2.3300 1.8000 1.1225
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.3488]
_cell_length_b [26... |
agm004179019 | AuMn2Pt | data_[Mn2Pt1Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Pt 2.2800 1.3500 0.8050
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6093]
_cell_length_b [4.6093]
_cell_length_c [2.9842]
_... |
agm003901900 | P2PbSi | data_[Si2P4Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
P 2.1900 1.0000 0.5500
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.4103]
_cell_length_b [5.7185]
_cell_length_c [8.6087]
_cell... |
agm003496807 | Ho6In2Nd | data_[Nd2Ho12In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ho 1.2300 1.7500 1.0410
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [6.2346]
_cell_length_b [6.2346]
_cell_length_c [15.2205]
... |
agm004310202 | KReRh | data_[K1Re1Rh1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Re 1.9000 1.3500 0.7125
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [2.8424]
_cell_length_b [2.8424]
_cell_length_c [7.9788]
_cell... |
agm003924126 | CrInTa | data_[Ta2Cr2In2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Cr 1.6600 1.4000 0.9400
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [2.7983]
_cell_length_b [4.2286]
_cell_length_c [8.6296]
_ce... |
agm002379094 | Pd2Pu2Sn | data_[Pu4Sn2Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Sn 1.9600 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.1234]
_cell_length_b [12.4871]
_cell_length_c [3.0268]
_c... |
agm003953484 | BeMoSe2 | data_[Be4Mo4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Mo 2.1600 1.4500 0.7750
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.3503]
_cell_length_b [6.3503]
_cell_length_c [6.3503]
_c... |
agm005977116 | Cu2RuSc4 | data_[Sc12Cu6Ru3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Cu 1.9000 1.3500 0.8200
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.5694]
_cell_length_b [4.5694]
_cell_length_c [22.1093]
_... |
agm003736199 | GaPr4Tl | data_[Pr4Tl1Ga1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Tl 1.6200 1.9000 1.3325
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.2292]
_cell_length_b [5.2292]
_cell_length_c [7.5501]
_... |
agm002870086 | OPdSi2 | data_[Si8Pd4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Pd 2.2000 1.4000 0.8462
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [4.5155]
_cell_length_b [4.5155]
_cell_length_c [11.4196]
_ce... |
agm005196583 | CdCsMgPb | data_[Cs1Mg1Cd1Pb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Mg 1.3100 1.5000 0.8600
Cd 1.6900 1.5500 1.0900
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.7276]
_cell_length_b [3.7... |
agm002160598 | FeMgNi2 | data_[Mg4Fe4Ni8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Fe 1.8300 1.4000 0.8525
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.8621]
_cell_length_b [5.8621]
_cell_length_c [5.8621]
_c... |
agm001109420 | I3RbTb | data_[Rb1Tb1I3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Tb 1.1000 1.7500 0.9815
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [6.0846]
_cell_length_b [6.0846]
_cell_length_c [6.0846]
_cel... |
agm001515657 | BrClK2Zn | data_[K2Zn1Br1Cl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Zn 1.6500 1.3500 0.8800
Br 2.9600 1.1500 0.8825
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.0311]
_cell_length_b [6.0... |
agm001367871 | CaIrPuZn | data_[Ca4Pu4Zn4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Pu 1.2800 1.7500 0.9675
Zn 1.6500 1.3500 0.8800
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.9923]
_cell_length_b [6.... |
agm004831372 | CeDy2ErS4 | data_[Ce1Dy2Er1S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Dy 1.2200 1.7500 1.1310
Er 1.2400 1.7500 1.0300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.7954]
_cell_length_b [3.905... |
agm003307452 | Ac2Au3Pd2 | data_[Ac4Pd4Au6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Pd 2.2000 1.4000 0.8462
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.1740]
_cell_length_b [20.4416]
_cell_length_c [4.0037]
_c... |
oqmd-8910272 | C2Cr4CuP | data_[Cr4Cu1P1C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Cu 1.9000 1.3500 0.8200
P 2.1900 1.0000 0.5500
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [2.9008]
_cell_length_b [2.9008... |
agm004314013 | Al2AsCo | data_[Al4Co2As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Co 1.8800 1.3500 0.7683
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.8382]
_cell_length_b [3.8382]
_cell_length_c [7.9166]
_c... |
agm002593338 | BaSb3Sc | data_[Ba1Sc1Sb3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sc 1.3600 1.6000 0.8850
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.5570]
_cell_length_b [5.5570]
_cell_length_c [5.5570]
_c... |
agm003606063 | CoHgTh | data_[Th4Co4Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Co 1.8800 1.3500 0.7683
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6949]
_cell_length_b [17.5447]
_cell_length_c [3.9835]
_c... |
agm002874677 | PS2Y | data_[Y4P4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
P 2.1900 1.0000 0.5500
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [4.8989]
_cell_length_b [4.8989]
_cell_length_c [15.5287]
_cell_a... |
agm002693250 | Li2NiY | data_[Li8Y4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Y 1.2200 1.8000 1.0400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4931]
_cell_length_b [6.4931]
_cell_length_c [6.4931]
_cel... |
agm003551255 | Bi3DyTm4 | data_[Dy2Tm8Bi6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Tm 1.2500 1.7500 1.0950
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.2998]
_cell_length_b [4.3352]
_cell_length_c [11.1331]
_... |
agm005943939 | InTh3Zn3 | data_[Th12Zn12In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Zn 1.6500 1.3500 0.8800
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1812]
_cell_length_b [4.5954]
_cell_length_c [14.1293]... |
agm003923189 | KNi2Ru | data_[K1Ni2Ru1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ni 1.9100 1.3500 0.7400
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [2.7294]
_cell_length_b [2.7294]
_cell_length_c [8.6109]
_cell... |
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