Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
oqmd-9034315 | AuLiO14Te4 | data_[Li1Te4Au1O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Te 2.1000 1.4000 1.2933
Au 2.5400 1.3500 1.0700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.5313]
_cell_length_b [6.571... |
agm003373260 | Ge2K5Se5 | data_[K10Ge4Se10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ge 2.0100 1.2500 0.7700
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3261]
_cell_length_b [4.6852]
_cell_length_c [12.0596]
_... |
agm003851684 | La2LiRe | data_[Li2La4Re2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
La 1.1000 1.9500 1.1720
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [3.4093]
_cell_length_b [5.2427]
_cell_length_c [10.8346]
_c... |
agm002349458 | IrPV | data_[V1P1Ir1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
P 2.1900 1.0000 0.5500
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.0923]
_cell_length_b [4.0923]
_cell_length_c [2.7683]
_cell_... |
agm003560043 | PPu4S3 | data_[Pu4P1S3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
P 2.1900 1.0000 0.5500
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.6121]
_cell_length_b [5.6121]
_cell_length_c [5.6121]
_cell_... |
agm002097703 | CrMgSb | data_[Mg2Cr2Sb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Cr 1.6600 1.4000 0.9400
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.6816]
_cell_length_b [4.6816]
_cell_length_c [7.9384]
_ce... |
oqmd-9229308 | C2NdSeTi4 | data_[Nd1Ti4C2Se1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ti 1.5400 1.4000 0.8517
C 2.5500 0.7000 0.3000
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.2095]
_cell_length_b [3.20... |
agm001287006 | GeNiPmPu | data_[Pm4Pu4Ni4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Pu 1.2800 1.7500 0.9675
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.0737]
_cell_length_b [7.... |
agm004502584 | Hg3KNa12Rb2 | data_[K3Rb6Na36Hg9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Rb 0.8200 2.3500 1.6600
Na 0.9300 1.8000 1.1600
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [12.1779]
_cell_length_b [12.... |
agm004362604 | AsBaCu2 | data_[Ba1Cu2As1]
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
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.6854]
_cell_length_b [4.3159]
_cell_length_c [4.9684]
_cell... |
agm002769992 | MoN2S | data_[Mo3S3N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
S 2.5800 1.0000 0.8800
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.9420]
_cell_length_b [2.9420]
_cell_length_c [18.6604]
_cell_... |
oqmd-3400403 | CdErTa | data_[Er4Ta4Cd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ta 1.5000 1.4500 0.8200
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.8906]
_cell_length_b [6.8906]
_cell_length_c [6.8906]
_c... |
agm005835149 | AcHg2Li4 | data_[Li8Ac2Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ac 1.1000 1.9500 1.2600
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [8.4401]
_cell_length_b [8.4401]
_cell_length_c [4.4988]... |
oqmd-4800677 | NOSiZn | data_[Zn4Si4N4O4]
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
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pca2_1]
_cell_length_a [5.0418]
_cell_length_b [8.008... |
agm001431390 | Cu2MnNiV | data_[Mn1V1Cu2Ni1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
V 1.6300 1.3500 0.7775
Cu 1.9000 1.3500 0.8200
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.4116]
_cell_length_b [4.4... |
agm002274468 | FeSn3Th | data_[Th2Fe2Sn6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Fe 1.8300 1.4000 0.8525
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.7237]
_cell_length_b [4.7237]
_cell_length_c [10.6817]
_c... |
oqmd-8527643 | AlN2V3 | data_[Al2V6N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
V 1.6300 1.3500 0.7775
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [2.8786]
_cell_length_b [2.8786]
_cell_length_c [17.9012]
_c... |
agm001574129 | HfPd2RhTi | data_[Hf1Ti1Pd2Rh1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ti 1.5400 1.4000 0.8517
Pd 2.2000 1.4000 0.8462
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9119]
_cell_length_b [4... |
agm005510653 | BaK2 | data_[K8Ba4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ba 0.8900 2.1500 1.4900
]
_symmetry_space_group_name_H-M [Pa-3]
_cell_length_a [10.0228]
_cell_length_b [10.0228]
_cell_length_c [10.0228]
_cell_angle_alpha [90.0000]
_cell_... |
agm001925393 | Ge2ScV | data_[Sc3V3Ge6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
V 1.6300 1.3500 0.7775
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.1874]
_cell_length_b [4.1874]
_cell_length_c [13.7693]
_cel... |
agm002875186 | IrPZn2 | data_[Zn8P4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
P 2.1900 1.0000 0.5500
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [7.2699]
_cell_length_b [7.2699]
_cell_length_c [4.7239]
_cel... |
agm2000066848 | HoNiSe3 | data_[Ho2Ni2Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Ni 1.9100 1.3500 0.7400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [18.6289]
_cell_length_b [3.9551]
_cell_length_c [11.4136]
_... |
oqmd-4660172 | FeMgS3Zn | data_[Mg4Zn4Fe4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Zn 1.6500 1.3500 0.8800
Fe 1.8300 1.4000 0.8525
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.5734]
_cell_length_b [11.9... |
agm004222049 | FeMgTc2 | data_[Mg3Fe3Tc6]
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
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.7411]
_cell_length_b [2.7411]
_cell_length_c [26.7461]
_c... |
agm005256352 | CaCu2O4 | data_[Ca4Cu8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.1425]
_cell_length_b [9.8656]
_cell_length_c [9.5383]
_cel... |
agm001981595 | CHf2Th | data_[Hf6Th3C3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Th 1.3000 1.8000 1.0800
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.2829]
_cell_length_b [3.2829]
_cell_length_c [27.0074]
_cel... |
agm005692537 | IrPm6Rh2 | data_[Pm12Ir2Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Ir 2.2000 1.3500 0.7650
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.7786]
_cell_length_b [7.4054]
_cell_length_c [11.9804]... |
agm004691513 | Cs3PmSe8Th3 | data_[Cs9Pm3Th9Se24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Pm 1.1300 1.8500 1.1100
Th 1.3000 1.8000 1.0800
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.5730]
_cell_length_b [8.... |
agm002960216 | Be2C2Cl | data_[Be4C4Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
C 2.5500 0.7000 0.3000
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.0075]
_cell_length_b [6.0075]
_cell_length_c [3.0232]
_ce... |
agm003368708 | Er12Pt2Tl5 | data_[Er24Tl10Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Tl 1.6200 1.9000 1.3325
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.1660]
_cell_length_b [7.0805]
_cell_length_c [8.8839]
... |
agm003432105 | Ac2AuSe3 | data_[Ac4Au2Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Au 2.5400 1.3500 1.0700
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.1305]
_cell_length_b [4.9032]
_cell_length_c [17.5311]
_c... |
agm001387255 | InNaPbSr | data_[Na4Sr4In4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Sr 0.9500 2.0000 1.3200
In 1.7800 1.5500 0.9400
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.9360]
_cell_length_b [7.... |
agm003071685 | Co3HTa | data_[Ta4Co12H4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Co 1.8800 1.3500 0.7683
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.2353]
_cell_length_b [4.4035]
_cell_length_c [9.3430]
_c... |
agm005100664 | AgHfO6P | data_[Hf1Ag1P1O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ag 1.9300 1.6000 1.0867
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [5.1530]
_cell_length_b [5.1530]... |
oqmd-4207435 | CeNaTa | data_[Na4Ce4Ta4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ce 1.1200 1.8500 1.0800
Ta 1.5000 1.4500 0.8200
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1773]
_cell_length_b [7.1773]
_cell_length_c [7.1773]
_c... |
agm004031816 | Ir2MoPb | data_[Mo1Ir2Pb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
Ir 2.2000 1.3500 0.7650
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [2.9759]
_cell_length_b [2.9759]
_cell_length_c [7.7625]
_ce... |
agm004511366 | Ba2Ge3InZn4 | data_[Ba2Zn4In1Ge3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Zn 1.6500 1.3500 0.8800
In 1.7800 1.5500 0.9400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.5712]
_cell_length_b [4.... |
agm002809856 | CRuS2 | data_[Ru4C4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ru 2.2000 1.3000 0.6610
C 2.5500 0.7000 0.3000
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.1107]
_cell_length_b [5.1107]
_cell_length_c [8.4694]
_cell_... |
agm003581746 | DyNd3Y7 | data_[Nd3Dy1Y7]
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
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [7.1327]
_cell_length_b [7.1327]
_cell_length_c [8.7121]
_cell... |
agm004492188 | Au12Ge3MgSr2 | data_[Sr6Mg3Ge9Au36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Mg 1.3100 1.5000 0.8600
Ge 2.0100 1.2500 0.7700
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.4883]
_cell_length_b [9.... |
mp-1047810 | CaCu2Ni2O8 | data_[Ca4Cu8Ni8O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Cu 1.9000 1.3500 0.8200
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.3958]
_cell_length_b [8.... |
agm003766042 | FeHMn6 | data_[Mn18Fe3H3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Fe 1.8300 1.4000 0.8525
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.6021]
_cell_length_b [6.6021]
_cell_length_c [6.1096]
_cell... |
agm002370778 | CrNbZn | data_[Nb3Zn3Cr3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Zn 1.6500 1.3500 0.8800
Cr 1.6600 1.4000 0.9400
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.7479]
_cell_length_b [7.7479]
_cell_length_c [2.5865]
_c... |
agm004319353 | CrOsPb | data_[Cr1Os1Pb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Os 2.2000 1.3000 0.6730
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [2.9770]
_cell_length_b [2.9770]
_cell_length_c [6.8372]
_ce... |
agm001256394 | Ag3Ga5Hg12 | data_[Ga40Ag24Hg96]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Ag 1.9300 1.6000 1.0867
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [16.3661]
_cell_length_b [16.3661]
_cell_length_c [16.36... |
agm004177901 | AuIrSe2 | data_[Ir3Au3Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ir 2.2000 1.3500 0.7650
Au 2.5400 1.3500 1.0700
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.7772]
_cell_length_b [3.7772]
_cell_length_c [20.8143]
_ce... |
agm005772407 | CdClO4 | data_[Cd4Cl4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C222_1]
_cell_length_a [5.0572]
_cell_length_b [8.9662]
_cell_length_c [9.0056]
_c... |
agm006095944 | Ce4PuSe5 | data_[Ce8Pu2Se10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Pu 1.2800 1.7500 0.9675
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [9.3657]
_cell_length_b [9.3657]
_cell_length_c [5.9310]
_c... |
agm006009792 | Ce4Cl12K | data_[K2Ce8Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ce 1.1200 1.8500 1.0800
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [10.9162]
_cell_length_b [10.9162]
_cell_length_c [10.6368]... |
agm004868101 | CeDy4PmTb2 | data_[Tb2Ce1Pm1Dy4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ce 1.1200 1.8500 1.0800
Pm 1.1300 1.8500 1.1100
Dy 1.2200 1.7500 1.1310
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.1578]
_cell_length_b [3.5... |
agm003759861 | AgHfPd5 | data_[Hf4Ag4Pd20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ag 1.9300 1.6000 1.0867
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.3737]
_cell_length_b [9.8008]
_cell_length_c [6.7587]
_c... |
agm2000104256 | As2Cu3Dy | data_[Dy2Cu6As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Cu 1.9000 1.3500 0.8200
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [5.3951]
_cell_length_b [20.5060]
_cell_length_c [7.5442]
_cel... |
agm002324974 | Rh2U2Zn | data_[U4Zn2Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Zn 1.6500 1.3500 0.8800
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.2255]
_cell_length_b [7.2255]
_cell_length_c [3.7670]
_ce... |
agm003379811 | Ca3Pb4Pm4 | data_[Ca6Pm8Pb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Pm 1.1300 1.8500 1.1100
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.6900]
_cell_length_b [10.0028]
_cell_length_c [19.2733]
_... |
agm004667791 | As2K3O8Sn | data_[K3Sn1As2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Sn 1.9600 1.4500 0.8300
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.8872]
_cell_length_b [5.8872... |
agm005017905 | CuPrPt2Sc | data_[Pr2Sc2Cu2Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Sc 1.3600 1.6000 0.8850
Cu 1.9000 1.3500 0.8200
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.9980]
_cell_length_b [3.... |
agm004383023 | Os2ReZn | data_[Zn3Re3Os6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Re 1.9000 1.3500 0.7125
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [2.7553]
_cell_length_b [2.7553]
_cell_length_c [26.5704]
_ce... |
agm003585722 | Cu8InMg3 | data_[Mg9In3Cu24]
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
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.0267]
_cell_length_b [5.0267]
_cell_length_c [24.1631]
_c... |
agm003725490 | CoNpSi3 | data_[Np4Co4Si12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.5428]
_cell_length_b [3.6660]
_cell_length_c [10.3415]
_... |
oqmd-9763212 | CaCu2GdSi4 | data_[Ca2Gd2Cu4Si8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Gd 1.2000 1.8000 1.0750
Cu 1.9000 1.3500 0.8200
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.9445]
_cell_length_b [4.0... |
agm003625624 | AgNa2Zn | data_[Na8Zn4Ag4]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [9.1762]
_cell_length_b [7.4051]
_cell_length_c [5.5819]
_ce... |
agm006010275 | Ag2La4Sb | data_[La12Ag6Sb3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ag 1.9300 1.6000 1.0867
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3950]
_cell_length_b [5.3950]
_cell_length_c [26.2563]
_... |
agm001647234 | FeLaMgY2 | data_[La1Y2Mg1Fe1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Y 1.2200 1.8000 1.0400
Mg 1.3100 1.5000 0.8600
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.3326]
_cell_length_b [5.3... |
agm005195688 | CeDyMgTc | data_[Ce1Dy1Mg1Tc1]
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
Mg 1.3100 1.5000 0.8600
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.3937]
_cell_length_b [3.3... |
agm006023249 | CdCu9Ge3 | data_[Cd1Cu9Ge3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Cu 1.9000 1.3500 0.8200
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0283]
_cell_length_b [5.3245]
_cell_length_c [7.5173]
_cel... |
agm002570995 | AuP3Sr | data_[Sr1P3Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
P 2.1900 1.0000 0.5500
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.9405]
_cell_length_b [4.9405]
_cell_length_c [4.9405]
_cel... |
agm002863242 | Ba2NaTi | data_[Ba8Na4Ti4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Na 0.9300 1.8000 1.1600
Ti 1.5400 1.4000 0.8517
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [9.3897]
_cell_length_b [9.3897]
_cell_length_c [7.4050]
_c... |
agm004845753 | NdP4PaTh2 | data_[Nd1Th2Pa1P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Th 1.3000 1.8000 1.0800
Pa 1.5000 1.8000 1.0400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1009]
_cell_length_b [4.101... |
agm001640864 | GaLa2RuTe | data_[La2Ga1Te1Ru1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ga 1.8100 1.3000 0.7600
Te 2.1000 1.4000 1.2933
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.4656]
_cell_length_b [5... |
oqmd-6567006 | CuI2MnY2 | data_[Y2Mn1Cu1I2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Mn 1.5500 1.4000 0.6483
Cu 1.9000 1.3500 0.8200
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.1245]
_cell_length_b [4.1245]... |
agm005475781 | Ru4TcTe | data_[Tc4Te4Ru16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
Te 2.1000 1.4000 1.2933
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.2874]
_cell_length_b [7.2874]
_cell_length_c [7.2874]
_... |
agm002752152 | HgIn2Zn | data_[Zn4In8Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
In 1.7800 1.5500 0.9400
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3087]
_cell_length_b [7.3087]
_cell_length_c [7.3087]
_c... |
agm002686890 | BrCdK2 | data_[K8Cd4Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Cd 1.6900 1.5500 1.0900
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.5642]
_cell_length_b [8.5642]
_cell_length_c [8.5642]
_cel... |
agm005119921 | LiMg2Tm | data_[Li3Tm3Mg6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Tm 1.2500 1.7500 1.0950
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.2834]
_cell_length_b [3.2834]
_cell_length_c [31.8334]
_ce... |
agm002913725 | C2FeNb2 | data_[Nb4Fe2C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Fe 1.8300 1.4000 0.8525
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0523]
_cell_length_b [4.0523]
_cell_length_c [8.3982]
_ce... |
agm001581814 | BaIrMg2O | data_[Ba1Mg2Ir1O1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Mg 1.3100 1.5000 0.8600
Ir 2.2000 1.3500 0.7650
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.2528]
_cell_length_b [4.2... |
agm006007390 | CeHo6Pm8 | data_[Ce3Pm24Ho18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Pm 1.1300 1.8500 1.1100
Ho 1.2300 1.7500 1.0410
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.0815]
_cell_length_b [9.0815]
_cell_length_c [20.8293]
_... |
agm002875530 | Hg2MnP | data_[Mn4Hg8P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Hg 2.0000 1.5000 1.2450
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [8.9846]
_cell_length_b [8.9846]
_cell_length_c [4.6430]
_cel... |
oqmd-5663557 | AsTaTh | data_[Th4Ta4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Ta 1.5000 1.4500 0.8200
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.5903]
_cell_length_b [6.5903]
_cell_length_c [6.5903]
_c... |
agm005921048 | BeI3Pr3 | data_[Pr24Be8I24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Be 1.5700 1.0500 0.5900
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [I4_132]
_cell_length_a [12.4741]
_cell_length_b [12.4741]
_cell_length_c [12.4741... |
agm005157868 | CuNd2PmS5 | data_[Pm4Nd8Cu4S20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Nd 1.1400 1.8500 1.2765
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9447]
_cell_length_b [17... |
agm004732418 | NaPr3Sm4Te8 | data_[Na3Pr9Sm12Te24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Pr 1.1300 1.8500 1.0600
Sm 1.1700 1.8500 1.2290
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.9720]
_cell_length_b [8... |
agm001304226 | CeGdPtTc | data_[Ce4Gd4Tc4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Gd 1.2000 1.8000 1.0750
Tc 1.9000 1.3500 0.7417
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.9903]
_cell_length_b [6.... |
agm005067972 | Cl5LiRbU | data_[Rb4Li4U4Cl20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Li 0.9800 1.4500 0.9000
U 1.3800 1.7500 0.9913
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.1654]
_cell_length_b [12.3... |
agm006004481 | CoRu2Tm4 | data_[Tm12Co3Ru6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Co 1.8800 1.3500 0.7683
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.7335]
_cell_length_b [4.7335]
_cell_length_c [22.8291]
_... |
agm001613591 | Ba2GaIrN | data_[Ba2Ga1Ir1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ga 1.8100 1.3000 0.7600
Ir 2.2000 1.3500 0.7650
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.9151]
_cell_length_b [5.9... |
agm003478477 | Al2BiSm5 | data_[Sm20Al8Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Al 1.6100 1.2500 0.6750
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.4789]
_cell_length_b [8.4789]
_cell_length_c [13.0432]... |
agm2000134789 | Cl8Co3Hg | data_[Co3Hg1Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Hg 2.0000 1.5000 1.2450
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [7.0059]
_cell_length_b [18.0762]
_cell_length_c [6.0442]
_c... |
agm001360804 | AuGaHgNd | data_[Nd4Ga4Hg4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ga 1.8100 1.3000 0.7600
Hg 2.0000 1.5000 1.2450
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1474]
_cell_length_b [7.... |
agm002865507 | HfNa2Nb | data_[Na8Hf4Nb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Hf 1.3000 1.5500 0.8500
Nb 1.6000 1.4500 0.8200
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [8.4824]
_cell_length_b [8.4824]
_cell_length_c [5.2868]
_c... |
oqmd-5031044 | CdOsTe2 | data_[Cd4Te8Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Te 2.1000 1.4000 1.2933
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.0567]
_cell_length_b [7.0567]
_cell_length_c [7.0567]
_c... |
agm003586631 | CaPr3Zn8 | data_[Ca3Pr9Zn24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Pr 1.1300 1.8500 1.0600
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.6184]
_cell_length_b [5.6184]
_cell_length_c [27.3314]
_c... |
agm004434071 | OsPtTl2 | data_[Tl2Os1Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Os 2.2000 1.3000 0.6730
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.9409]
_cell_length_b [3.8716]
_cell_length_c [8.0893]
_ce... |
agm002590511 | CsSc3Y | data_[Cs1Y1Sc3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Y 1.2200 1.8000 1.0400
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.3377]
_cell_length_b [5.3377]
_cell_length_c [5.3377]
_cel... |
agm003836257 | AlMoTl2 | data_[Al4Tl8Mo4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Tl 1.6200 1.9000 1.3325
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1142]
_cell_length_b [7.1142]
_cell_length_c [7.1142]
_c... |
agm2000000995 | H2Sr | data_[Sr4H8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Pcca]
_cell_length_a [4.2218]
_cell_length_b [17.5116]
_cell_length_c [13.8496]
_cell_angle_alpha [90.0000]
_cell_a... |
agm006022662 | CdI8Mn3 | data_[Mn9Cd3I24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Cd 1.6900 1.5500 1.0900
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.4055]
_cell_length_b [8.4055]
_cell_length_c [22.5023]
_ce... |
agm001636189 | Hf2IrLiN | data_[Li1Hf2Ir1N1]
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
Ir 2.2000 1.3500 0.7650
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.4171]
_cell_length_b [4.4... |
agm003962780 | ClPt2Sb | data_[Sb4Pt8Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.7093]
_cell_length_b [6.7093]
_cell_length_c [6.7093]
_c... |
agm001333647 | LiNiPbSn | data_[Li4Ni4Sn4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.7247]
_cell_length_b [6.... |
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