Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm003762363 | CTi6Tl | data_[Ti18Tl3C3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Tl 1.6200 1.9000 1.3325
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.9887]
_cell_length_b [7.9887]
_cell_length_c [7.2052]
_cell... |
agm003620665 | NbSiTi2 | data_[Ti8Nb4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Nb 1.6000 1.4500 0.8200
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.4460]
_cell_length_b [9.7295]
_cell_length_c [7.8287]
_ce... |
agm005819526 | Cl4GeHg | data_[Hg4Ge4Cl16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
Ge 2.0100 1.2500 0.7700
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.9613]
_cell_length_b [8.8597]
_cell_length_c [10.0067]
... |
agm005076633 | NaO6PuY | data_[Na1Y1Pu1O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Y 1.2200 1.8000 1.0400
Pu 1.2800 1.7500 0.9675
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [5.5655]
_cell_length_b [5.5655]... |
oqmd-5992307 | LaNiZn | data_[La3Zn3Ni3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Zn 1.6500 1.3500 0.8800
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.1380]
_cell_length_b [8.1380]
_cell_length_c [3.1839]
_c... |
agm003412088 | CuGa3Y2 | data_[Y2Ga3Cu1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.6433]
_cell_length_b [4.3712]
_cell_length_c [7.5653]
_cell... |
agm2000011901 | CuS | data_[Cu4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [16.4633]
_cell_length_b [5.3144]
_cell_length_c [8.0374]
_cell_angle_alpha [90.0000]
_cell_angl... |
oqmd-9785724 | AsPt17 | data_[As2Pt34]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
As 2.1800 1.1500 0.6600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.5304]
_cell_length_b [5.5304]
_cell_length_c [30.9065]
_cell_angle_alpha [90.0000]
_cel... |
agm003498607 | Ba6Ir2Tl | data_[Ba12Tl2Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Tl 1.6200 1.9000 1.3325
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.5071]
_cell_length_b [6.1468]
_cell_length_c [10.7350]
... |
agm002966887 | CaIr2La2 | data_[Ca2La4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
La 1.1000 1.9500 1.1720
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.5279]
_cell_length_b [8.5279]
_cell_length_c [3.3757]
_... |
oqmd-9821451 | BrCeLaP | data_[La2Ce2P2Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ce 1.1200 1.8500 1.0800
P 2.1900 1.0000 0.5500
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.1939]
_cell_length_b [4.19... |
agm001313155 | CaPdPuRu | data_[Ca4Pu4Pd4Ru4]
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
Pd 2.2000 1.4000 0.8462
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.8754]
_cell_length_b [6.... |
agm003306045 | Bi3Cs2In2 | data_[Cs2In2Bi3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
In 1.7800 1.5500 0.9400
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.7936]
_cell_length_b [7.5745]
_cell_length_c [9.5382]
_cel... |
agm002582368 | BiS3Sc | data_[Sc1Bi1S3]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.8964]
_cell_length_b [4.8964]
_cell_length_c [4.8964]
_cel... |
agm002918747 | Bi2BrCu2 | data_[Cu4Bi4Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Bi 2.0200 1.6000 1.0350
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.9908]
_cell_length_b [4.9908]
_cell_length_c [10.0964]
... |
agm002690486 | BrLi2O | data_[Li8Br4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0780]
_cell_length_b [6.0780]
_cell_length_c [6.0780]
_cel... |
agm002449512 | Bi3ClOs | data_[Bi3Os1Cl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
Os 2.2000 1.3000 0.6730
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.3833]
_cell_length_b [5.3833]
_cell_length_c [5.3833]
_c... |
agm006021517 | BiHg4In12 | data_[In24Hg8Bi2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Hg 2.0000 1.5000 1.2450
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [10.0919]
_cell_length_b [10.0919]
_cell_length_c [10.0919]... |
agm004354483 | AuScTc2 | data_[Sc1Tc2Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Tc 1.9000 1.3500 0.7417
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [2.9886]
_cell_length_b [4.8295]
_cell_length_c [4.7578]
_ce... |
agm003600496 | DyGaMg | data_[Dy4Mg4Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Mg 1.3100 1.5000 0.8600
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7934]
_cell_length_b [4.4338]
_cell_length_c [7.2826]
_c... |
agm005995502 | Br8KZr2 | data_[K1Zr2Br8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Zr 1.3300 1.5500 0.8600
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [9.7838]
_cell_length_b [9.7838]
_cell_length_c [5.4095]
_cel... |
agm001330746 | CaCdPbTb | data_[Ca4Tb4Cd4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Tb 1.1000 1.7500 0.9815
Cd 1.6900 1.5500 1.0900
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.6722]
_cell_length_b [7.... |
agm001984019 | HfSm2Zr | data_[Sm6Hf3Zr3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Hf 1.3000 1.5500 0.8500
Zr 1.3300 1.5500 0.8600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.3626]
_cell_length_b [3.3626]
_cell_length_c [33.1306]
_c... |
agm004932516 | AlAu6Ba2Pb | data_[Ba4Al2Pb2Au12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Al 1.6100 1.2500 0.6750
Pb 2.3300 1.8000 1.1225
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8567]
_cell_length_b [6... |
agm005718351 | AlNd3Zn2 | data_[Nd6Al2Zn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Al 1.6100 1.2500 0.6750
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.2392]
_cell_length_b [5.2392]
_cell_length_c [12.8273]
_... |
agm006110843 | MoV6W5 | data_[V12Mo2W10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Mo 2.1600 1.4500 0.7750
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.3517]
_cell_length_b [6.1710]
_cell_length_c [13.0899]
_cel... |
agm004561465 | Nd2PrSm2Tb4 | data_[Tb8Pr2Nd4Sm4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Pr 1.1300 1.8500 1.0600
Nd 1.1400 1.8500 1.2765
Sm 1.1700 1.8500 1.2290
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.9538]
_cell_length_b [3.... |
agm004874610 | CsO8PbTe2 | data_[Cs2Te4Pb2O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Te 2.1000 1.4000 1.2933
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7578]
_cell_length_b [6.1... |
agm003317208 | Ga2Rh5Th2 | data_[Th4Ga4Rh10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Ga 1.8100 1.3000 0.7600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9872]
_cell_length_b [4.5530]
_cell_length_c [7.6505]
_... |
oqmd-9929948 | CeFe4Ga2La2 | data_[La4Ce2Ga4Fe8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ce 1.1200 1.8500 1.0800
Ga 1.8100 1.3000 0.7600
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5163]
_cell_length_b [4.... |
agm003710203 | AcScTe3 | data_[Ac4Sc4Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Sc 1.3600 1.6000 0.8850
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.2395]
_cell_length_b [4.4603]
_cell_length_c [15.5225]
_... |
oqmd-7970696 | H2W | data_[H4W2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
H 2.2000 0.2500 0.0000
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [3.8825]
_cell_length_b [3.8825]
_cell_length_c [3.1071]
_cell_angle_alpha [90.0000]
_cell_a... |
agm003473646 | H5Li2Pd | data_[Li8H20Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
H 2.2000 0.2500 0.0000
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.7184]
_cell_length_b [9.0646]
_cell_length_c [8.5248]
_cel... |
oqmd-8097192 | AsBaP | data_[Ba4As4P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
As 2.1800 1.1500 0.6600
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [7.0203]
_cell_length_b [7.0203]
_cell_length_c [7.0203]
_cel... |
mp-978533 | Hg3Si | data_[Si2Hg6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2698]
_cell_length_b [4.2698]
_cell_length_c [10.1975]
_cell_angle_alpha [90.0000]
_cel... |
agm005593848 | BrNp2O6 | data_[Np2Br1O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.6304]
_cell_length_b [6.5508]
_cell_length_c [7.2890]
_cell_... |
agm004118093 | BeRhRu2 | data_[Be2Ru4Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Ru 2.2000 1.3000 0.6610
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [2.7725]
_cell_length_b [4.5611]
_cell_length_c [8.2751]
_ce... |
agm001055560 | IPrSb | data_[Pr2Sb2I2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Sb 2.0500 1.4500 0.8300
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.9752]
_cell_length_b [3.9752]
_cell_length_c [12.8036]
_c... |
agm004894670 | H8Rh2TbZn | data_[Tb3Zn3H24Rh6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Zn 1.6500 1.3500 0.8800
H 2.2000 0.2500 0.0000
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [4.6618]
_cell_length_b [4.661... |
agm003876369 | ClRh2Sc | data_[Sc2Rh4Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Rh 2.2800 1.3500 0.7450
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.3655]
_cell_length_b [3.3581]
_cell_length_c [13.7013]
_c... |
agm004359482 | Ag2RhTc | data_[Tc2Ag4Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
Ag 1.9300 1.6000 1.0867
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [2.8274]
_cell_length_b [4.8466]
_cell_length_c [9.5428]
_ce... |
agm003657802 | Bi5Ce4I | data_[Ce8Bi10I2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Bi 2.0200 1.6000 1.0350
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.5059]
_cell_length_b [5.8030]
_cell_length_c [7.1178]
_ce... |
agm004977690 | ErLa6SmY2 | data_[La12Sm2Y4Er2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sm 1.1700 1.8500 1.2290
Y 1.2200 1.8000 1.0400
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4713]
_cell_length_b [7.0... |
agm004633217 | Dy3Sm6Th2Y | data_[Sm12Dy6Y2Th4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Dy 1.2200 1.7500 1.1310
Y 1.2200 1.8000 1.0400
Th 1.3000 1.8000 1.0800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2268]
_cell_length_b [10.7... |
agm001096921 | HgRhTm2 | data_[Tm8Hg4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Hg 2.0000 1.5000 1.2450
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0470]
_cell_length_b [7.0470]
_cell_length_c [7.0470]
_c... |
agm001118527 | HoPtY2 | data_[Y2Ho1Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ho 1.2300 1.7500 1.0410
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5765]
_cell_length_b [3.5765]
_cell_length_c [8.4109]
_ce... |
agm002858403 | As2FeN | data_[Fe4As8N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
As 2.1800 1.1500 0.6600
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.1364]
_cell_length_b [5.1364]
_cell_length_c [9.2699]
_cel... |
agm004063826 | AsPtZr | data_[Zr1As1Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
As 2.1800 1.1500 0.6600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.0557]
_cell_length_b [3.0557]
_cell_length_c [6.8905]
_ce... |
agm003495591 | Dy2InPr6 | data_[Pr12Dy4In2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Dy 1.2200 1.7500 1.1310
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [10.9440]
_cell_length_b [10.9440]
_cell_length_c [5.03... |
oqmd-6936077 | NbRbU | data_[Rb4U4Nb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
U 1.3800 1.7500 0.9913
Nb 1.6000 1.4500 0.8200
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.0739]
_cell_length_b [7.0739]
_cell_length_c [7.0739]
_cel... |
agm004958631 | Er2LiPaSe6 | data_[Li1Er2Pa1Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Er 1.2400 1.7500 1.0300
Pa 1.5000 1.8000 1.0400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [6.7096]
_cell_length_b [6.7... |
agm001068399 | AlHoNp | data_[Ho2Np2Al2]
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
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.0794]
_cell_length_b [3.5504]
_cell_length_c [7.7577]
_... |
agm002847237 | LiPd2Sr | data_[Sr4Li4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Li 0.9800 1.4500 0.9000
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [4.9421]
_cell_length_b [4.9421]
_cell_length_c [16.4123]
_... |
agm2000034973 | OPd | data_[Pd12O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pd 2.2000 1.4000 0.8462
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pcca]
_cell_length_a [6.0785]
_cell_length_b [19.0952]
_cell_length_c [7.6603]
_cell_angle_alpha [90.0000]
_cell_... |
agm003480028 | Hg5La2Pr | data_[La4Pr2Hg10]
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
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.3737]
_cell_length_b [5.3737]
_cell_length_c [15.3749]... |
mp-1183338 | BaNa2Sn | data_[Ba4Na8Sn4]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.9860]
_cell_length_b [7.9860]
_cell_length_c [7.9860]
_c... |
agm002644221 | BeGaSe2 | data_[Be4Ga4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Ga 1.8100 1.3000 0.7600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5944]
_cell_length_b [6.5944]
_cell_length_c [6.5944]
_c... |
agm004114561 | AuCd2Rh | data_[Cd2Rh1Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Rh 2.2800 1.3500 0.7450
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.0448]
_cell_length_b [4.0752]
_cell_length_c [5.8621]
_ce... |
agm005277138 | Ga3Mg2MoS8 | data_[Mg6Ga9Mo3S24]
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
Mo 2.1600 1.4500 0.7750
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.3298]
_cell_length_b [7.32... |
oqmd-7229600 | BaOs2Rh | data_[Ba4Os8Rh4]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.6741]
_cell_length_b [6.6741]
_cell_length_c [6.6741]
_c... |
agm006026516 | Ho6Nd8Tl | data_[Nd8Ho6Tl1]
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
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [9.3842]
_cell_length_b [9.3842]
_cell_length_c [6.5435]
_cel... |
agm004767543 | K2Se4TiTl | data_[K16Ti8Tl8Se32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ti 1.5400 1.4000 0.8517
Tl 1.6200 1.9000 1.3325
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [6.8299]
_cell_length_b [13.... |
agm005520497 | Cd3Os | data_[Cd12Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [4.6994]
_cell_length_b [8.0581]
_cell_length_c [8.3237]
_cell_angle_alpha [90.0000]
_cell_... |
agm002367889 | Al3Mn2Sc3 | data_[Sc6Mn4Al6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Mn 1.5500 1.4000 0.6483
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.5563]
_cell_length_b [3.9969]
_cell_length_c [4.6537]
_c... |
agm002164018 | N3OsY | data_[Y2Os2N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Os 2.2000 1.3000 0.6730
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [5.6678]
_cell_length_b [3.2072]
_cell_length_c [6.8151]
_cell_a... |
mp-1177119 | Fe3Li6O8 | data_[Li12Fe6O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.9221]
_cell_length_b [6.0057]
_cell_length_c [10.4182]
_ce... |
agm004056720 | As2NiY | data_[Y2Ni2As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ni 1.9100 1.3500 0.7400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.9598]
_cell_length_b [5.7871]
_cell_length_c [6.7733]
_cell... |
agm003413783 | Ac2AlHg3 | data_[Ac16Al8Hg24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Al 1.6100 1.2500 0.6750
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [8.1997]
_cell_length_b [9.9257]
_cell_length_c [17.1571]
... |
agm001612797 | CsInIrZn2 | data_[Cs1Zn2In1Ir1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Zn 1.6500 1.3500 0.8800
In 1.7800 1.5500 0.9400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0856]
_cell_length_b [5... |
agm002016861 | NbScTa | data_[Sc2Ta2Nb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ta 1.5000 1.4500 0.8200
Nb 1.6000 1.4500 0.8200
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.8824]
_cell_length_b [4.7936]
_cell_length_c [8.4664]
_cell... |
agm003012956 | AsRh2Sc2 | data_[Sc4As2Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
As 2.1800 1.1500 0.6600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.2250]
_cell_length_b [7.2250]
_cell_length_c [3.3526]
_... |
agm004514329 | CuLi2Pt3Si4 | data_[Li2Cu1Si4Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cu 1.9000 1.3500 0.8200
Si 1.9000 1.1000 0.5400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [3.9537]
_cell_length_b [3.... |
agm002948699 | PdRu2Ti2 | data_[Ti4Pd2Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Pd 2.2000 1.4000 0.8462
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9870]
_cell_length_b [3.9870]
_cell_length_c [10.7420]
... |
oqmd-9783973 | DyErIr2 | data_[Dy2Er2Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Er 1.2400 1.7500 1.0300
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.2479]
_cell_length_b [5.5702]
_cell_length_c [7.2158]
_... |
agm004898380 | Br8Ca2GeK | data_[K1Ca2Ge1Br8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ca 1.0000 1.8000 1.1400
Ge 2.0100 1.2500 0.7700
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.6120]
_cell_length_b [8.965... |
agm004001039 | ReSi3 | data_[Re3Si9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.9740]
_cell_length_b [7.9740]
_cell_length_c [3.1034]
_cell_angle_alpha [90.0000]
_cell_a... |
agm004042775 | CuSb2Si | data_[Cu1Si1Sb2]
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
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.0721]
_cell_length_b [3.0721]
_cell_length_c [8.9655]
_ce... |
agm003095670 | LiScZr | data_[Li2Zr2Sc2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Zr 1.3300 1.5500 0.8600
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.0538]
_cell_length_b [4.9989]
_cell_length_c [8.5750]
_ce... |
agm001525084 | CuLa2RhTl | data_[La2Tl1Cu1Rh1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Tl 1.6200 1.9000 1.3325
Cu 1.9000 1.3500 0.8200
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.9394]
_cell_length_b [5... |
oqmd-9982864 | GaNi2Si4Tm4 | data_[Tm8Ga2Si8Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ga 1.8100 1.3000 0.7600
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.8780]
_cell_length_b [4.... |
agm004040119 | AuBa2Cd | data_[Ba2Cd1Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Cd 1.6900 1.5500 1.0900
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9065]
_cell_length_b [4.9065]
_cell_length_c [6.9654]
_... |
agm001483866 | CrGaNiZr2 | data_[Zr2Cr1Ga1Ni1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Cr 1.6600 1.4000 0.9400
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.7974]
_cell_length_b [4... |
agm003576367 | Ga3PmTm6 | data_[Pm4Tm24Ga12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Tm 1.2500 1.7500 1.0950
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [10.5060]
_cell_length_b [12.6379]
_cell_length_c [8.203... |
agm003618708 | N2SrTc | data_[Sr4Tc4N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Tc 1.9000 1.3500 0.7417
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.6567]
_cell_length_b [3.6126]
_cell_length_c [10.8163]
_cel... |
agm004459056 | PTe | data_[Te6P6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.6623]
_cell_length_b [14.1757]
_cell_length_c [8.6808]
_cell_angle_alpha [90.0000]
_cell_an... |
oqmd-2462185 | BeZr3 | data_[Zr12Be4]
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
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [8.2022]
_cell_length_b [9.5088]
_cell_length_c [4.0449]
_cell_angle_alpha [90.0000]
_cell_... |
agm2000090459 | Cl3MnNa | data_[Na2Mn2Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Mn 1.5500 1.4000 0.6483
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [4.0367]
_cell_length_b [14.3884]
_cell_length_c [18.7676]
_... |
agm004458248 | RbSr | data_[Rb8Sr8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Sr 0.9500 2.0000 1.3200
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [9.0122]
_cell_length_b [9.0122]
_cell_length_c [13.1867]
_cell_angle_alpha [90.0000]
_c... |
agm002415713 | BeCrI3 | data_[Be1Cr1I3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Cr 1.6600 1.4000 0.9400
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.5350]
_cell_length_b [5.5350]
_cell_length_c [5.5350]
_cel... |
agm003045935 | BeOPt | data_[Be4Pt4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Pt 2.2800 1.3500 0.8050
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.4472]
_cell_length_b [2.7570]
_cell_length_c [8.0480]
_cell... |
agm005065956 | AsNpO5Pb | data_[Np4As4Pb4O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
As 2.1800 1.1500 0.6600
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.0188]
_cell_length_b [9.50... |
agm004838985 | As4HoTbZr2 | data_[Tb1Ho1Zr2As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ho 1.2300 1.7500 1.0410
Zr 1.3300 1.5500 0.8600
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8754]
_cell_length_b [3.9... |
agm001290753 | BePtRuTi | data_[Ti4Be4Ru4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Be 1.5700 1.0500 0.5900
Ru 2.2000 1.3000 0.6610
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.9713]
_cell_length_b [5.... |
agm003410201 | Ge3LiRh2 | data_[Li2Ge6Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ge 2.0100 1.2500 0.7700
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.9550]
_cell_length_b [5.9550]
_cell_length_c [6.0645]
_c... |
agm002418953 | BeRuSr3 | data_[Sr3Be1Ru1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Be 1.5700 1.0500 0.5900
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.6595]
_cell_length_b [5.6595]
_cell_length_c [5.6595]
_c... |
agm005999641 | BaCd3Mg6 | data_[Ba2Mg12Cd6]
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
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.7310]
_cell_length_b [4.7710]
_cell_length_c [11.0355... |
oqmd-9917320 | Au3ErTm2Zn3 | data_[Er2Tm4Zn6Au6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Tm 1.2500 1.7500 1.0950
Zn 1.6500 1.3500 0.8800
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.8226]
_cell_length_b [12.... |
agm005257893 | CH4InO7Se | data_[In2H8C2Se2O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
H 2.2000 0.2500 0.0000
C 2.5500 0.7000 0.3000
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5... |
agm004425802 | BrCd2Os | data_[Cd2Os1Br1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Os 2.2000 1.3000 0.6730
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.6914]
_cell_length_b [4.8842]
_cell_length_c [8.3252]
_ce... |
agm003507480 | O7SrV2 | data_[Sr2V4O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.0404]
_cell_length_b [10.0974]
_cell_length_c [3.7313]
_cell... |
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