Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm001630503 | Pd2Ti | data_[Ti8Pd16]
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
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.3534]
_cell_length_b [7.3534]
_cell_length_c [7.3534]
_cell_angle_alpha [90.0000]
_cell... |
agm002288175 | GeMn3Np2 | data_[Np6Mn9Ge3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Mn 1.5500 1.4000 0.6483
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3132]
_cell_length_b [5.3132]
_cell_length_c [11.6768]
_c... |
agm003652036 | HoPr5Tm4 | data_[Pr10Ho2Tm8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ho 1.2300 1.7500 1.0410
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [10.3139]
_cell_length_b [10.3139]
_cell_length_c [6.3383]
_c... |
agm005198577 | ErSeSrTe | data_[Sr3Er3Te3Se3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Er 1.2400 1.7500 1.0300
Te 2.1000 1.4000 1.2933
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.2190]
_cell_length_b [4.21... |
agm005022606 | As2CaFeTc | data_[Ca2Fe2Tc2As4]
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
Tc 1.9000 1.3500 0.7417
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.0879]
_cell_length_b [4.... |
agm003431317 | Dy2Sn3Tm | data_[Dy4Tm2Sn6]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.5912]
_cell_length_b [6.2047]
_cell_length_c [15.4247]
_c... |
agm003916195 | BrClSe2 | data_[Se4Br2Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Se 2.5500 1.1500 1.0133
Br 2.9600 1.1500 0.8825
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.8495]
_cell_length_b [7.5512]
_cell_length_c [8.4232]
_ce... |
oqmd-3164808 | CeSrV | data_[Sr4Ce4V4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ce 1.1200 1.8500 1.0800
V 1.6300 1.3500 0.7775
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.6689]
_cell_length_b [7.6689]
_cell_length_c [7.6689]
_cel... |
agm003885168 | CuInTe2 | data_[In2Cu2Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.8979]
_cell_length_b [3.8998]
_cell_length_c [13.7419]
_c... |
agm003868419 | ClCo2Zn | data_[Zn2Co4Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Co 1.8800 1.3500 0.7683
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.3751]
_cell_length_b [7.3885]
_cell_length_c [2.7930]
_ce... |
agm001420178 | CuOPd2Tl | data_[Tl1Cu1Pd2O1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Cu 1.9000 1.3500 0.8200
Pd 2.2000 1.4000 0.8462
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.1207]
_cell_length_b [5.1... |
agm003509644 | La2Pm7Tm | data_[La4Pm14Tm2]
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
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.7587]
_cell_length_b [29.4560]
_cell_length_c [3.5069]
_... |
agm001399538 | EuInMgZr | data_[Eu4Mg4Zr4In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Mg 1.3100 1.5000 0.8600
Zr 1.3300 1.5500 0.8600
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.4311]
_cell_length_b [7.... |
agm004244949 | Ca2HgTa | data_[Ca4Ta2Hg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ta 1.5000 1.4500 0.8200
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8716]
_cell_length_b [3.2721]
_cell_length_c [5.7542]
_c... |
agm001596833 | Ba2CrLiSr | data_[Ba2Sr1Li1Cr1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sr 0.9500 2.0000 1.3200
Li 0.9800 1.4500 0.9000
Cr 1.6600 1.4000 0.9400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.6005]
_cell_length_b [6... |
agm004740972 | DyLa2NdPr2 | data_[La4Pr4Nd2Dy2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pr 1.1300 1.8500 1.0600
Nd 1.1400 1.8500 1.2765
Dy 1.2200 1.7500 1.1310
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [7.1798]
_cell_length_b [5.8... |
agm002280400 | H5PdTb2 | data_[Tb4H10Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
H 2.2000 0.2500 0.0000
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [5.0794]
_cell_length_b [5.0794]
_cell_length_c [7.0371]
_cel... |
agm002945779 | CdNb2Si2 | data_[Nb4Cd2Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Cd 1.6900 1.5500 1.0900
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1400]
_cell_length_b [4.1400]
_cell_length_c [11.0156]
... |
agm005953013 | Ac3O7Pu | data_[Ac12Pu4O28]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Pu 1.2800 1.7500 0.9675
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [8.1066]
_cell_length_b [11.5697]
_cell_length_c [8.2640]
_c... |
agm005950986 | Cd3Ga3Sr | data_[Sr2Cd6Ga6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cd 1.6900 1.5500 1.0900
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.1745]
_cell_length_b [4.7665]
_cell_length_c [9.8661]
_... |
oqmd-5777403 | PaPbRe | data_[Pa4Re4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Re 1.9000 1.3500 0.7125
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.7053]
_cell_length_b [6.7053]
_cell_length_c [6.7053]
_c... |
agm003560060 | S4Sr3Th | data_[Sr6Th2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Th 1.3000 1.8000 1.0800
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.4866]
_cell_length_b [11.8925]
_cell_length_c [4.1484]
_cel... |
agm003385035 | I8In4Tl3 | data_[Tl6In8I16]
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
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.0473]
_cell_length_b [14.0544]
_cell_length_c [9.9182]
_c... |
agm001274042 | InLuPu | data_[Lu1Pu1In1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Pu 1.2800 1.7500 0.9675
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.2741]
_cell_length_b [5.2741]
_cell_length_c [3.3100]
_ce... |
agm005651530 | HoLa2Pb | data_[La8Ho4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ho 1.2300 1.7500 1.0410
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.8925]
_cell_length_b [9.0197]
_cell_length_c [8.3258]
_ce... |
agm003775789 | AlEr6Rh | data_[Er12Al2Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Al 1.6100 1.2500 0.6750
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7580]
_cell_length_b [11.4073]
_cell_length_c [6.5738]
_... |
agm004095129 | CrRh2Sr | data_[Sr4Cr4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cr 1.6600 1.4000 0.9400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.6846]
_cell_length_b [6.6846]
_cell_length_c [6.6846]
_c... |
agm004893838 | F8MnTlZn2 | data_[Mn3Tl3Zn6F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Tl 1.6200 1.9000 1.3325
Zn 1.6500 1.3500 0.8800
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.2020]
_cell_length_b [5.202... |
agm005209944 | BiCeLaN | data_[La2Ce2Bi2N2]
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
Bi 2.0200 1.6000 1.0350
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.7914]
_cell_length_b [4.7... |
agm2000101359 | LaTe3Tl | data_[La2Tl2Te6]
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
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [9.1047]
_cell_length_b [17.7734]
_cell_length_c [8.6911]
_c... |
agm005754217 | CaInTl3 | data_[Ca2Tl6In2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Tl 1.6200 1.9000 1.3325
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.1058]
_cell_length_b [5.6366]
_cell_length_c [8.8320]
_... |
agm001194521 | HgHo5 | data_[Ho10Hg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.7921]
_cell_length_b [14.9735]
_cell_length_c [4.7895]
_cell_angle_alpha [90.0000]
_cell... |
agm004635812 | Ac6Pd2SeTe3 | data_[Ac12Te6Pd4Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Te 2.1000 1.4000 1.2933
Pd 2.2000 1.4000 0.8462
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8460]
_cell_length_b [13... |
agm005895473 | Al2PrY4 | data_[Pr3Y12Al6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Y 1.2200 1.8000 1.0400
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3635]
_cell_length_b [5.3635]
_cell_length_c [23.5998]
_ce... |
agm2000092275 | Ca2IP | data_[Ca2P1I1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
P 2.1900 1.0000 0.5500
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [5.4104]
_cell_length_b [5.4104]
_cell_length_c [17.2913]
_cell_... |
agm001409055 | CeHoPrZr | data_[Ce4Pr4Ho4Zr4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Pr 1.1300 1.8500 1.0600
Ho 1.2300 1.7500 1.0410
Zr 1.3300 1.5500 0.8600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.8297]
_cell_length_b [7.... |
agm005577273 | Co2La3Mg3 | data_[La6Mg6Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Mg 1.3100 1.5000 0.8600
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.0550]
_cell_length_b [4.6642]
_cell_length_c [5.0671]
_c... |
agm003518917 | Na8RbSn2 | data_[Rb2Na16Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Na 0.9300 1.8000 1.1600
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2772]
_cell_length_b [14.2501]
_cell_length_c [6.2043]
... |
agm005536133 | Na8Tl3 | data_[Na16Tl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3697]
_cell_length_b [4.6305]
_cell_length_c [13.1047]
_cell_angle_alpha [90.0000]
_cel... |
agm006047482 | RbSe7Sn4 | data_[Rb2Sn8Se14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Sn 1.9600 1.4500 0.8300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [17.9225]
_cell_length_b [6.6296]
_cell_length_c [6.6614]... |
agm002581068 | ClFeS3 | data_[Fe1S3Cl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
S 2.5800 1.0000 0.8800
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.4253]
_cell_length_b [4.4253]
_cell_length_c [4.4253]
_cel... |
agm004219700 | Au2IrPb | data_[Ir1Pb1Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ir 2.2000 1.3500 0.7650
Pb 2.3300 1.8000 1.1225
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [3.2459]
_cell_length_b [4.8052]
_cell_length_c [5.2708]
_ce... |
agm003593413 | CeGa4Sc4 | data_[Ce2Sc8Ga8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Sc 1.3600 1.6000 0.8850
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P4_2/n]
_cell_length_a [8.9993]
_cell_length_b [8.9993]
_cell_length_c [5.4911]
_... |
agm002975861 | As2Fe2Rh | data_[Fe4As4Rh2]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.7982]
_cell_length_b [6.7982]
_cell_length_c [2.8083]
_... |
agm001670883 | HSbSc2Tc | data_[Sc2Tc1Sb1H1]
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
Sb 2.0500 1.4500 0.8300
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.4975]
_cell_length_b [4.4... |
agm003435783 | FeNi2Ti3 | data_[Ti3Fe1Ni2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Fe 1.8300 1.4000 0.8525
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.9319]
_cell_length_b [2.9319]
_cell_length_c [9.3607]
_... |
agm001151513 | CrHf2Mg | data_[Hf2Mg1Cr1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Mg 1.3100 1.5000 0.8600
Cr 1.6600 1.4000 0.9400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.2191]
_cell_length_b [3.2191]
_cell_length_c [7.5780]
_... |
oqmd-9851059 | GaZr | data_[Zr8Ga8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [3.8840]
_cell_length_b [3.8840]
_cell_length_c [20.5550]
_cell_angle_alpha [90.0000]
_c... |
agm005031620 | CeN3TiZr | data_[Ce2Zr2Ti2N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Zr 1.3300 1.5500 0.8600
Ti 1.5400 1.4000 0.8517
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.9584]
_cell_length_b [3.2... |
agm002896142 | AgLa2Tc | data_[La8Tc4Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Tc 1.9000 1.3500 0.7417
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [8.0178]
_cell_length_b [8.0178]
_cell_length_c [6.4534]
_c... |
agm002290940 | LaN2Ti | data_[La3Ti3N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ti 1.5400 1.4000 0.8517
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.2434]
_cell_length_b [3.2434]
_cell_length_c [17.2351]
_cel... |
agm002432713 | C3HgY | data_[Y1Hg1C3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Hg 2.0000 1.5000 1.2450
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.6072]
_cell_length_b [4.6072]
_cell_length_c [4.6072]
_cell_... |
agm005210434 | AuThTlY | data_[Y1Th1Tl1Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Th 1.3000 1.8000 1.0800
Tl 1.6200 1.9000 1.3325
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.5844]
_cell_length_b [3.584... |
agm004473243 | CCl6Cs2Ge | data_[Cs8Ge4C4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ge 2.0100 1.2500 0.7700
C 2.5500 0.7000 0.3000
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.1384]
_cell_length_b [10... |
oqmd-6504352 | CsNOTa | data_[Cs2Ta2N2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ta 1.5000 1.4500 0.8200
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.4647]
_cell_length_b [4.464... |
agm004380965 | CrFe2La | data_[La4Cr4Fe8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Cr 1.6600 1.4000 0.9400
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.4195]
_cell_length_b [6.4195]
_cell_length_c [6.4195]
_c... |
agm002693989 | AuLi2Nb | data_[Li8Nb4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Nb 1.6000 1.4500 0.8200
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.1740]
_cell_length_b [6.1740]
_cell_length_c [6.1740]
_c... |
agm004369182 | K2LiY | data_[K4Li2Y2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Li 0.9800 1.4500 0.9000
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.6758]
_cell_length_b [7.0124]
_cell_length_c [13.7793]
_cell_... |
agm001379155 | EuHoLiSc | data_[Li4Eu4Ho4Sc4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Eu 1.2000 1.8500 1.1985
Ho 1.2300 1.7500 1.0410
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.7269]
_cell_length_b [7.... |
agm001751146 | HgNO2Sc | data_[Sc1Hg1N1O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Hg 2.0000 1.5000 1.2450
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1136]
_cell_length_b [4.113... |
agm001075406 | Ge4Hf2Tc | data_[Hf4Tc2Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Tc 1.9000 1.3500 0.7417
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.8043]
_cell_length_b [4.8043]
_cell_length_c [13.1466]
... |
oqmd-2016939 | CuDy3GeS7 | data_[Dy6Cu2Ge2S14]
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
Ge 2.0100 1.2500 0.7700
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P6_3]
_cell_length_a [9.8736]
_cell_length_b [9.87... |
agm004593538 | As2CeIn2Rh7 | data_[Ce2In4As4Rh14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
In 1.7800 1.5500 0.9400
As 2.1800 1.1500 0.6600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.5779]
_cell_length_b [5.... |
agm003564066 | Au3BiPb5 | data_[Bi4Pb20Au12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
Pb 2.3300 1.8000 1.1225
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1333]
_cell_length_b [9.3057]
_cell_length_c [10.2572]... |
agm002774091 | NaRhTe2 | data_[Na3Te6Rh3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Te 2.1000 1.4000 1.2933
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.2910]
_cell_length_b [3.2910]
_cell_length_c [30.5829]
_c... |
oqmd-7240319 | CoOs2Ru | data_[Co4Os8Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Os 2.2000 1.3000 0.6730
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.0190]
_cell_length_b [6.0190]
_cell_length_c [6.0190]
_c... |
agm001382203 | AcHoLiTc | data_[Li4Ac4Ho4Tc4]
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
Ho 1.2300 1.7500 1.0410
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.2457]
_cell_length_b [7.... |
agm005904253 | CPbZr4 | data_[Zr4Pb1C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Pb 2.3300 1.8000 1.1225
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.2530]
_cell_length_b [3.2916]
_cell_length_c [7.8549]
_cell... |
agm003403949 | Ce2OsPm2 | data_[Ce8Pm8Os4]
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
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1941]
_cell_length_b [12.2795]
_cell_length_c [7.3247]
_c... |
agm001468695 | BiHf2MoSe | data_[Hf2Bi1Mo1Se1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Bi 2.0200 1.6000 1.0350
Mo 2.1600 1.4500 0.7750
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0773]
_cell_length_b [5... |
agm002993035 | In2Mg2Sb | data_[Mg4In4Sb2]
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
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.5595]
_cell_length_b [8.5595]
_cell_length_c [3.4294]
_... |
agm003826500 | Be3Zn | data_[Be3Zn1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.6678]
_cell_length_b [2.6678]
_cell_length_c [5.3770]
_cell_angle_alpha [90.0000]
_cell... |
agm003544367 | PuRu3Tb3 | data_[Tb12Pu4Ru12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Pu 1.2800 1.7500 0.9675
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3617]
_cell_length_b [9.2427]
_cell_length_c [6.6557]
... |
agm004683798 | Ho3O8TcTl3 | data_[Ho9Tl9Tc3O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Tl 1.6200 1.9000 1.3325
Tc 1.9000 1.3500 0.7417
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.7759]
_cell_length_b [6.77... |
oqmd-9755534 | B2Cu2DyN2Tb | data_[Tb1Dy1Cu2B2N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Dy 1.2200 1.7500 1.1310
Cu 1.9000 1.3500 0.8200
B 2.0400 0.8500 0.4100
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a ... |
agm003997396 | Si2TlZn | data_[Tl2Zn2Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Zn 1.6500 1.3500 0.8800
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.6727]
_cell_length_b [5.7788]
_cell_length_c [8.0439]
_ce... |
oqmd-3915628 | Li2NiPd | data_[Li8Ni4Pd4]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.8907]
_cell_length_b [5.8907]
_cell_length_c [5.8907]
_c... |
oqmd-7387248 | DyMoRu | data_[Dy4Mo4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Mo 2.1600 1.4500 0.7750
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.3716]
_cell_length_b [6.3716]
_cell_length_c [6.3716]
_c... |
oqmd-7545110 | CuEuMgSeTe2 | data_[Eu4Mg4Cu4Te8Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Mg 1.3100 1.5000 0.8600
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_lengt... |
agm005414584 | Al2Zn3 | data_[Al2Zn3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [4.3829]
_cell_length_b [4.3829]
_cell_length_c [5.3009]
_cell_angle_alpha [90.0000]
_cell_... |
agm001787563 | AsFeRhSe2 | data_[Fe1As1Rh1Se2]
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
Rh 2.2800 1.3500 0.7450
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6414]
_cell_length_b [4... |
agm003631800 | As2CeTc | data_[Ce2Tc2As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Tc 1.9000 1.3500 0.7417
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.0786]
_cell_length_b [4.0786]
_cell_length_c [9.8807]
_... |
agm003527929 | Ba2ErF8 | data_[Ba4Er2F16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Er 1.2400 1.7500 1.0300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.1958]
_cell_length_b [4.2698]
_cell_length_c [5.8079]
_ce... |
agm005418163 | Br3ClZn | data_[Zn1Br3Cl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Br 2.9600 1.1500 0.8825
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.3389]
_cell_length_b [5.3389]
_cell_length_c [5.3389]
_c... |
agm006053259 | Pr8Sm4Tb | data_[Tb3Pr24Sm12]
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
Sm 1.1700 1.8500 1.2290
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [11.9356]
_cell_length_b [11.9356]
_cell_length_c [11.7969... |
agm002905098 | MoSb2Zn | data_[Zn4Sb8Mo4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Sb 2.0500 1.4500 0.8300
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [6.1953]
_cell_length_b [6.1953]
_cell_length_c [12.4447]
_... |
agm002005934 | BiLa2Li | data_[Li3La6Bi3]
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
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.5439]
_cell_length_b [3.5439]
_cell_length_c [36.5135]
_c... |
agm004742347 | Ge2MgRh2Y | data_[Y1Mg1Ge2Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Mg 1.3100 1.5000 0.8600
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 [4.2898]
_cell_length_b [4.28... |
agm005946604 | CdPu2Tl2 | data_[Pu8Tl8Cd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Tl 1.6200 1.9000 1.3325
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Cccm]
_cell_length_a [9.4502]
_cell_length_b [10.1373]
_cell_length_c [5.7254]
_c... |
agm002532093 | MoPt3Te | data_[Te1Mo1Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
Mo 2.1600 1.4500 0.7750
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.9173]
_cell_length_b [4.9173]
_cell_length_c [4.9173]
_c... |
agm001798500 | ClCrITe2 | data_[Cr1Te2I1Cl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Te 2.1000 1.4000 1.2933
I 2.6600 1.4000 1.2733
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.4920]
_cell_length_b [5.4... |
agm004440817 | KTaTc2 | data_[K2Ta2Tc4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ta 1.5000 1.4500 0.8200
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [3.1096]
_cell_length_b [4.7119]
_cell_length_c [10.5301]
_cel... |
agm004882542 | NaP2PdSe8 | data_[Na3P6Pd3Se24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
P 2.1900 1.0000 0.5500
Pd 2.2000 1.4000 0.8462
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.9267]
_cell_length_b [5.926... |
oqmd-3495112 | CdLiLu | data_[Li4Lu4Cd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Lu 1.2700 1.7500 1.0010
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.8551]
_cell_length_b [6.8551]
_cell_length_c [6.8551]
_c... |
oqmd-2322571 | CuGaTc2 | data_[Ga4Cu4Tc8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.0733]
_cell_length_b [6.0733]
_cell_length_c [6.0733]
_c... |
oqmd-6102818 | Ho3PtTe2Tm3 | data_[Ho3Tm3Te2Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Tm 1.2500 1.7500 1.0950
Te 2.1000 1.4000 1.2933
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.3220]
_cell_length_b [8.... |
agm004380388 | AuMnOs | data_[Mn1Os1Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Os 2.2000 1.3000 0.6730
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [2.7284]
_cell_length_b [2.7284]
_cell_length_c [6.8139]
_ce... |
agm001358010 | HfNiPdRh | data_[Hf4Ni4Pd4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ni 1.9100 1.3500 0.7400
Pd 2.2000 1.4000 0.8462
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.2578]
_cell_length_b [6.... |
agm001462651 | BiORb2Te | data_[Rb2Bi1Te1O1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Bi 2.0200 1.6000 1.0350
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.9745]
_cell_length_b [6.9... |
agm006126093 | Er6InTb12 | data_[Tb36Er18In3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Er 1.2400 1.7500 1.0300
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [12.8450]
_cell_length_b [12.8450]
_cell_length_c [12.7321... |
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