Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm002861835 | N2SSi | data_[Si4S4N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
S 2.5800 1.0000 0.8800
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [4.9037]
_cell_length_b [4.9037]
_cell_length_c [7.8351]
_cell_... |
mp-2240112 | BaMgMn2O5Pr | data_[Ba1Pr1Mg1Mn2O5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Pr 1.1300 1.8500 1.0600
Mg 1.3100 1.5000 0.8600
Mn 1.5500 1.4000 0.6483
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_... |
oqmd-9446543 | AgSnTe2 | data_[Ag3Sn3Te6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Sn 1.9600 1.4500 0.8300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.3075]
_cell_length_b [4.3075]
_cell_length_c [20.9283]
_c... |
mp-1279682 | CoLaO4Sr | data_[Sr4La4Co4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
La 1.1000 1.9500 1.1720
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Aea2]
_cell_length_a [5.4361]
_cell_length_b [5.43... |
oqmd-2653799 | CdFeMgTl | data_[Mg4Tl4Cd4Fe4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Tl 1.6200 1.9000 1.3325
Cd 1.6900 1.5500 1.0900
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.7944]
_cell_length_b [6.... |
agm001947456 | PdS2U | data_[U3Pd3S6]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.0887]
_cell_length_b [4.0887]
_cell_length_c [15.6893]
_cell_... |
oqmd-2616624 | AsCuScW | data_[Sc4Cu4As4W4]
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
As 2.1800 1.1500 0.6600
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.3410]
_cell_length_b [6.34... |
agm004644085 | Ce3ErPu2S6 | data_[Ce6Er2Pu4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Er 1.2400 1.7500 1.0300
Pu 1.2800 1.7500 0.9675
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8649]
_cell_length_b [11.8... |
agm005814825 | Bi2Pd3Sb | data_[Bi8Sb4Pd12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
Sb 2.0500 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [12.5427]
_cell_length_b [7.4923]
_cell_length_c [5.7473]
_... |
agm006090976 | AgPm5Se4 | data_[Pm10Ag2Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Ag 1.9300 1.6000 1.0867
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.1401]
_cell_length_b [4.1803]
_cell_length_c [10.4018]
... |
agm001150717 | Pa2PuSb | data_[Pu1Pa2Sb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Pa 1.5000 1.8000 1.0400
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9257]
_cell_length_b [3.9257]
_cell_length_c [6.5556]
_... |
agm005936954 | Ag3SnTb4 | data_[Tb8Ag6Sn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ag 1.9300 1.6000 1.0867
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.2002]
_cell_length_b [5.2002]
_cell_length_c [14.8364]
... |
agm001739519 | BiN2ScTe | data_[Sc1Bi1Te1N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Bi 2.0200 1.6000 1.0350
Te 2.1000 1.4000 1.2933
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.2891]
_cell_length_b [4.2... |
agm2000025455 | N2Zn3 | data_[Zn6N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [6.5095]
_cell_length_b [6.4786]
_cell_length_c [16.6454]
_cell_angle_alpha [90.0000]
_cell_an... |
agm004624578 | NdO6Rb3Tl2 | data_[Rb6Nd2Tl4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Nd 1.1400 1.8500 1.2765
Tl 1.6200 1.9000 1.3325
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1863]
_cell_length_b [10.7... |
oqmd-3109572 | LuTiYb | data_[Yb4Lu4Ti4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Lu 1.2700 1.7500 1.0010
Ti 1.5400 1.4000 0.8517
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1255]
_cell_length_b [7.1255]
_cell_length_c [7.1255]
_c... |
agm002346029 | Ga2MnYb6 | data_[Yb6Mn1Ga2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Mn 1.5500 1.4000 0.6483
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.6551]
_cell_length_b [8.6551]
_cell_length_c [3.9250]
_c... |
agm002932107 | MgP2Tc2 | data_[Mg2Tc4P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Tc 1.9000 1.3500 0.7417
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.5067]
_cell_length_b [3.5067]
_cell_length_c [12.5099]
_c... |
oqmd-4875178 | BaFePm | data_[Ba4Pm4Fe4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Pm 1.1300 1.8500 1.1100
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.0769]
_cell_length_b [7.0769]
_cell_length_c [7.0769]
_c... |
agm005692227 | Ac8Nd3Pr3 | data_[Ac16Pr6Nd6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Pr 1.1300 1.8500 1.0600
Nd 1.1400 1.8500 1.2765
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.7023]
_cell_length_b [13.9421]
_cell_length_c [6.9089]
... |
agm005558898 | Mg2Na2Pb3 | data_[Na6Mg6Pb9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Mg 1.3100 1.5000 0.8600
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.1927]
_cell_length_b [5.1927]
_cell_length_c [26.4501]
_c... |
agm2000067952 | AgSe2Yb | data_[Yb2Ag2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Ag 1.9300 1.6000 1.0867
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [19.1601]
_cell_length_b [3.2947]
_cell_length_c [11.4956]
_... |
agm002225280 | NaRh2Th | data_[Na4Th4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Th 1.3000 1.8000 1.0800
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8044]
_cell_length_b [6.8044]
_cell_length_c [6.8044]
_c... |
oqmd-9834269 | Ag4Cd2TbZr | data_[Tb1Zr1Cd2Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Zr 1.3300 1.5500 0.8600
Cd 1.6900 1.5500 1.0900
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.8901]
_cell_length_b [4... |
agm005727579 | BiRbTl3 | data_[Rb8Tl24Bi8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Tl 1.6200 1.9000 1.3325
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.1301]
_cell_length_b [12.1228]
_cell_length_c [8.0188]
... |
agm003895545 | ClNiZn2 | data_[Zn2Ni1Cl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ni 1.9100 1.3500 0.7400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [2.9502]
_cell_length_b [3.0526]
_cell_length_c [7.0883]
_ce... |
agm005906602 | Dy9ThTm2 | data_[Dy9Tm2Th1]
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
Th 1.3000 1.8000 1.0800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0059]
_cell_length_b [5.0059]
_cell_length_c [14.9949]
... |
agm003427229 | Pb2Pr3Sr | data_[Sr4Pr12Pb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Pr 1.1300 1.8500 1.0600
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.1584]
_cell_length_b [4.8662]
_cell_length_c [10.0310]
... |
agm004233067 | CaFe2Os | data_[Ca1Fe2Os1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Fe 1.8300 1.4000 0.8525
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [2.9699]
_cell_length_b [4.5063]
_cell_length_c [4.6520]
_ce... |
agm005621494 | Au2K9O3 | data_[K36Au8O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Au 2.5400 1.3500 1.0700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [20.1854]
_cell_length_b [8.5059]
_cell_length_c [12.3209]
_ce... |
agm003431116 | Pt3ScTb2 | data_[Tb4Sc2Pt6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Sc 1.3600 1.6000 0.8850
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.0779]
_cell_length_b [5.6716]
_cell_length_c [11.7980]
_c... |
oqmd-9026604 | AuKSe3Th | data_[K4Th4Au4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Th 1.3000 1.8000 1.0800
Au 2.5400 1.3500 1.0700
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2880]
_cell_length_b [14.8... |
agm005650784 | Cu2LiZn6 | data_[Li1Zn6Cu2]
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
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.2486]
_cell_length_b [4.2486]
_cell_length_c [7.8738]
_c... |
agm005226682 | Mg14NbW | data_[Mg14Nb1W1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Nb 1.6000 1.4500 0.8200
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [6.2593]
_cell_length_b [6.2593]
_cell_length_c [9.9070]
_ce... |
agm003563871 | Pd3SbTe5 | data_[Sb4Te20Pd12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
Te 2.1000 1.4000 1.2933
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.9146]
_cell_length_b [8.8873]
_cell_length_c [8.9238]
... |
agm005851812 | Cl2PaS2 | data_[Pa4S8Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
S 2.5800 1.0000 0.8800
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9396]
_cell_length_b [12.5418]
_cell_length_c [7.3756]
_cel... |
agm2000042123 | Br3Ho | data_[Ho2Br6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [12.1727]
_cell_length_b [12.1727]
_cell_length_c [15.0101]
_cell_angle_alpha [90.0000]
_c... |
agm005817003 | Dy6OsTl2 | data_[Dy12Tl4Os2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Tl 1.6200 1.9000 1.3325
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.9217]
_cell_length_b [14.7737]
_cell_length_c [8.6116]
_... |
agm001288554 | DyGeHgLi | data_[Li4Dy4Hg4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Dy 1.2200 1.7500 1.1310
Hg 2.0000 1.5000 1.2450
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.9898]
_cell_length_b [6.... |
agm005985792 | Cd3IrNd4 | data_[Nd4Cd3Ir1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Cd 1.6900 1.5500 1.0900
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7140]
_cell_length_b [3.7140]
_cell_length_c [15.6782]
... |
agm001651245 | InPb2RuTl | data_[Tl1In1Ru1Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
In 1.7800 1.5500 0.9400
Ru 2.2000 1.3000 0.6610
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.2808]
_cell_length_b [5... |
agm004889824 | Co2O8SmU | data_[Sm2U2Co4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
U 1.3800 1.7500 0.9913
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [6.9874]
_cell_length_b [6.987... |
agm002336863 | Fe4Ge2Np3 | data_[Np3Fe4Ge2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Fe 1.8300 1.4000 0.8525
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.5733]
_cell_length_b [6.5733]
_cell_length_c [4.1090]
_c... |
agm005617958 | Bi3PbPd2 | data_[Bi6Pd4Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
Pd 2.2000 1.4000 0.8462
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.5210]
_cell_length_b [8.9548]
_cell_length_c [7.4973]
_... |
oqmd-2491717 | AgCoPbRh | data_[Co4Ag4Rh4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Ag 1.9300 1.6000 1.0867
Rh 2.2800 1.3500 0.7450
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.3978]
_cell_length_b [6.... |
agm003863409 | AuPt2 | data_[Pt4Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pt 2.2800 1.3500 0.8050
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.4300]
_cell_length_b [3.4300]
_cell_length_c [8.4714]
_cell_angle_alpha [90.0000]
_cell... |
agm001482403 | HOSr2Zr | data_[Sr2Zr1H1O1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Zr 1.3300 1.5500 0.8600
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.4821]
_cell_length_b [5.482... |
agm001041794 | NiWZr | data_[Zr4Ni4W4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ni 1.9100 1.3500 0.7400
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.7217]
_cell_length_b [3.7217]
_cell_length_c [14.7031]
_c... |
agm005847726 | Er4PmTm2 | data_[Pm2Er8Tm4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Er 1.2400 1.7500 1.0300
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.4676]
_cell_length_b [3.4962]
_cell_length_c [8.6526]
_c... |
agm001332176 | CdCeGdPm | data_[Ce4Pm4Gd4Cd4]
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
Gd 1.2000 1.8000 1.0750
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.7829]
_cell_length_b [7.... |
agm001184389 | HfScW4 | data_[Hf4Sc4W16]
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
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.6279]
_cell_length_b [7.6279]
_cell_length_c [7.6279]
_ce... |
agm002831511 | AgGaHf2 | data_[Hf8Ga4Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ga 1.8100 1.3000 0.7600
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [7.5710]
_cell_length_b [7.5710]
_cell_length_c [5.7579]
_c... |
agm001235936 | GdPaPt | data_[Gd4Pa4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Pa 1.5000 1.8000 1.0400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.8940]
_cell_length_b [6.8940]
_cell_length_c [6.8940]
_c... |
agm2000120925 | Te9Tl7 | data_[Tl7Te9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P2]
_cell_length_a [7.2375]
_cell_length_b [20.7471]
_cell_length_c [11.6563]
_cell_angle_alpha [90.0000]
_cell_a... |
oqmd-4271713 | KMnYb | data_[K4Yb4Mn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Yb 1.1000 1.7500 1.0840
Mn 1.5500 1.4000 0.6483
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.8771]
_cell_length_b [7.8771]
_cell_length_c [7.8771]
_cel... |
agm003572807 | AlLi3Mg6 | data_[Li12Mg24Al4]
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
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [9.8159]
_cell_length_b [16.4970]
_cell_length_c [5.3914... |
agm003843573 | CdHgIr | data_[Cd2Hg2Ir2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Hg 2.0000 1.5000 1.2450
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.0543]
_cell_length_b [4.0683]
_cell_length_c [8.9425]
_ce... |
agm001752350 | BeCdO2P | data_[Be1Cd1P1O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Cd 1.6900 1.5500 1.0900
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5582]
_cell_length_b [3.558... |
oqmd-9834613 | BC5H17N2 | data_[B2H34C10N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
B 2.0400 0.8500 0.4100
H 2.2000 0.2500 0.0000
C 2.5500 0.7000 0.3000
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.8825]
_cell_length_b [7.5389]
_c... |
agm004662032 | Cl2IO6Pm3 | data_[Pm6I2Cl4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
I 2.6600 1.4000 1.2733
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.0899]
_cell_length_b [6.893... |
oqmd-4145943 | IMo | data_[Mo1I1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.3722]
_cell_length_b [3.3722]
_cell_length_c [4.1898]
_cell_angle_alpha [90.0000]
_cell_an... |
agm002559698 | MgORh3 | data_[Mg1Rh3O1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Rh 2.2800 1.3500 0.7450
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.1314]
_cell_length_b [4.1314]
_cell_length_c [4.1314]
_cel... |
agm002945068 | AsCu2Si2 | data_[Cu4Si4As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Si 1.9000 1.1000 0.5400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.6001]
_cell_length_b [3.6001]
_cell_length_c [11.5788]
... |
agm002996465 | GaMn2Pt2 | data_[Mn4Ga2Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Ga 1.8100 1.3000 0.7600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.2104]
_cell_length_b [6.2104]
_cell_length_c [3.7747]
_... |
agm001804668 | NSbSeTe2 | data_[Sb1Te2Se1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
Te 2.1000 1.4000 1.2933
Se 2.5500 1.1500 1.0133
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.7352]
_cell_length_b [5.7... |
agm004261077 | Fe2KY | data_[K3Y3Fe6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Y 1.2200 1.8000 1.0400
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.9414]
_cell_length_b [3.9414]
_cell_length_c [24.9392]
_cell_a... |
agm001260142 | AcOTb | data_[Ac1Tb1O1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Tb 1.1000 1.7500 0.9815
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.7311]
_cell_length_b [3.7311]
_cell_length_c [6.4724]
_cell... |
agm004968275 | InLi2O6Os | data_[Li4In2Os2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
In 1.7800 1.5500 0.9400
Os 2.2000 1.3000 0.6730
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.2498]
_cell_length_b [5.... |
agm004682113 | Cs3O8RuSr3 | data_[Cs9Sr9Ru3O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Sr 0.9500 2.0000 1.3200
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.3078]
_cell_length_b [7.30... |
agm003639440 | Au4RuTm5 | data_[Tm5Ru1Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ru 2.2000 1.3000 0.6610
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.4883]
_cell_length_b [3.4883]
_cell_length_c [17.7880]
... |
agm006071562 | LaPm4Y6 | data_[La4Pm16Y24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pm 1.1300 1.8500 1.1100
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.8315]
_cell_length_b [9.7489]
_cell_length_c [26.1348]
_c... |
agm004924812 | Br6GaNpRb2 | data_[Rb4Np2Ga2Br12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Np 1.3600 1.7500 1.0000
Ga 1.8100 1.3000 0.7600
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.9762]
_cell_length_b [... |
agm005423449 | CaCu | data_[Ca3Cu3]
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
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.7449]
_cell_length_b [5.7449]
_cell_length_c [5.7449]
_cell_angle_alpha [90.0000]
_cell_... |
agm003702531 | Pm12Sn7Zn | data_[Pm36Zn3Sn21]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Zn 1.6500 1.3500 0.8800
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [14.7453]
_cell_length_b [14.7453]
_cell_length_c [9.7166]
... |
oqmd-9221615 | Cr2N3Ni3Ti4 | data_[Ti16Cr8Ni12N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Cr 1.6600 1.4000 0.9400
Ni 1.9100 1.3500 0.7400
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.6954]
_cell_length_b [5.... |
agm003451241 | Ge2Se4Zn | data_[Zn2Ge4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ge 2.0100 1.2500 0.7700
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [7.4300]
_cell_length_b [7.4300]
_cell_length_c [6.6137]
_ce... |
agm002040105 | BePSi | data_[Be2Si2P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Si 1.9000 1.1000 0.5400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.7248]
_cell_length_b [5.3727]
_cell_length_c [5.4841]
_cell_a... |
agm002210915 | F7RbYb2 | data_[Rb1Yb2F7]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Yb 1.1000 1.7500 1.0840
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.1454]
_cell_length_b [4.3437]
_cell_length_c [7.0260]
_cell... |
agm005840670 | IrPt9Rh2 | data_[Ir1Pt9Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ir 2.2000 1.3500 0.7650
Pt 2.2800 1.3500 0.8050
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9424]
_cell_length_b [3.9424]
_cell_length_c [11.8285]
... |
oqmd-5577572 | AuDySe3Sr | data_[Sr2Dy2Au2Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Dy 1.2200 1.7500 1.1310
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 [8.0354]
_cell_length_b [4... |
agm005899406 | CePa2Pb9 | data_[Ce1Pa2Pb9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Pa 1.5000 1.8000 1.0400
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.8453]
_cell_length_b [4.8453]
_cell_length_c [14.5560]
... |
agm005465536 | BeTeZr4 | data_[Zr16Be4Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Be 1.5700 1.0500 0.5900
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.1380]
_cell_length_b [8.1380]
_cell_length_c [8.1380]
_... |
agm001163309 | Eu3FLa | data_[La1Eu3F1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Eu 1.2000 1.8500 1.1985
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.4313]
_cell_length_b [5.4313]
_cell_length_c [5.4313]
_cel... |
oqmd-2613867 | AsCuMoTa | data_[Ta4Cu4Mo4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Cu 1.9000 1.3500 0.8200
Mo 2.1600 1.4500 0.7750
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.2890]
_cell_length_b [6.... |
agm004021147 | AlK | data_[K1Al1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.4790]
_cell_length_b [3.4790]
_cell_length_c [6.0187]
_cell_angle_alpha [90.0000]
_cell_an... |
agm002839203 | HN2Rb | data_[Rb8H8N16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
H 2.2000 0.2500 0.0000
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.2048]
_cell_length_b [7.2048]
_cell_length_c [7.2048]
_cell... |
agm003870690 | Ca2IrTc | data_[Ca2Tc1Ir1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Tc 1.9000 1.3500 0.7417
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.2443]
_cell_length_b [3.2443]
_cell_length_c [9.0204]
_ce... |
agm005568238 | Ba2Ga2Mg5 | data_[Ba2Mg5Ga2]
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
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9115]
_cell_length_b [4.9115]
_cell_length_c [10.8951]
... |
agm004735424 | LiMg4N8U3 | data_[Li3Mg12U9N24]
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
U 1.3800 1.7500 0.9913
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.6818]
_cell_length_b [6.681... |
agm005203089 | NNpPRu | data_[Np2P2Ru2N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
P 2.1900 1.0000 0.5500
Ru 2.2000 1.3000 0.6610
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.9472]
_cell_length_b [3.947... |
agm004693633 | Na3NiS8Zr3 | data_[Na6Zr6Ni2S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Zr 1.3300 1.5500 0.8600
Ni 1.9100 1.3500 0.7400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1007]
_cell_length_b [7.1... |
agm003687911 | Br12Rb6Te | data_[Rb18Te3Br36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Te 2.1000 1.4000 1.2933
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [14.4008]
_cell_length_b [14.4008]
_cell_length_c [14.3805]... |
agm2000122785 | ErS | data_[Er3S3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7986]
_cell_length_b [3.7986]
_cell_length_c [20.8984]
_cell_angle_alpha [90.0000]
_cell_... |
agm006057719 | Ir4La8Pb | data_[La16Ir8Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ir 2.2000 1.3500 0.7650
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.1008]
_cell_length_b [8.6488]
_cell_length_c [10.1829]
... |
agm003531303 | Sm8TlZn2 | data_[Sm16Tl2Zn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Tl 1.6200 1.9000 1.3325
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.3050]
_cell_length_b [5.0868]
_cell_length_c [8.0475]
_... |
agm004863808 | AcCe2ErSb4 | data_[Ac1Ce2Er1Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Ce 1.1200 1.8500 1.0800
Er 1.2400 1.7500 1.0300
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.8718]
_cell_length_b [4.5... |
agm005198643 | CErHfSe | data_[Er3Hf3C3Se3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Hf 1.3000 1.5500 0.8500
C 2.5500 0.7000 0.3000
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.5358]
_cell_length_b [3.5358... |
agm004903463 | CrO8PmTa2 | data_[Pm2Ta4Cr2O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Ta 1.5000 1.4500 0.8200
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0961]
_cell_length_b [6.72... |
agm005014713 | LaSSe2Tb | data_[La4Tb4Se8S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Tb 1.1000 1.7500 0.9815
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1271]
_cell_length_b [13.34... |
agm001655949 | Ca2FInNa | data_[Na1Ca2In1F1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ca 1.0000 1.8000 1.1400
In 1.7800 1.5500 0.9400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0307]
_cell_length_b [5.0... |
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