Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm001963936 | ErSm2Tl | data_[Sm6Er3Tl3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Er 1.2400 1.7500 1.0300
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.5652]
_cell_length_b [3.5652]
_cell_length_c [36.5942]
_c... |
oqmd-9797424 | Ag2CdInMg2Sc2 | data_[Mg2Sc2Cd1In1Ag2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Sc 1.3600 1.6000 0.8850
Cd 1.6900 1.5500 1.0900
In 1.7800 1.5500 0.9400
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_leng... |
agm005477847 | CoWY4 | data_[Y16Co4W4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Co 1.8800 1.3500 0.7683
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.4369]
_cell_length_b [8.4369]
_cell_length_c [8.4369]
_cell... |
agm004849387 | Bi4DyHoLa2 | data_[La2Dy1Ho1Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Dy 1.2200 1.7500 1.1310
Ho 1.2300 1.7500 1.0410
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.9257]
_cell_length_b [4.5... |
oqmd-3960332 | ErIrTe | data_[Er4Te4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Te 2.1000 1.4000 1.2933
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.5170]
_cell_length_b [6.5170]
_cell_length_c [6.5170]
_c... |
agm004588757 | Br7CsPb2Rb2 | data_[Cs2Rb4Pb4Br14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Rb 0.8200 2.3500 1.6600
Pb 2.3300 1.8000 1.1225
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.4821]
_cell_length_b [8.... |
agm004894227 | B2Cl8LiTl | data_[Li3Tl3B6Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Tl 1.6200 1.9000 1.3325
B 2.0400 0.8500 0.4100
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.0551]
_cell_length_b [6.055... |
agm005458846 | Mg4PbTc | data_[Mg16Tc4Pb4]
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
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.8869]
_cell_length_b [7.8869]
_cell_length_c [7.8869]
_... |
oqmd-9230384 | AuNi3P5 | data_[Ni3P5Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
P 2.1900 1.0000 0.5500
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [4.7349]
_cell_length_b [4.7349]
_cell_length_c [6.8293]
_ce... |
agm005097947 | CsHfPSe6 | data_[Cs1Hf1P1Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Hf 1.3000 1.5500 0.8500
P 2.1900 1.0000 0.5500
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [6.3519]
_cell_length_b [6.351... |
agm002161807 | GaGeMn2 | data_[Mn8Ga4Ge4]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.9032]
_cell_length_b [5.9032]
_cell_length_c [5.9032]
_c... |
oqmd-6496092 | GdLaZn4 | data_[La2Gd2Zn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Gd 1.2000 1.8000 1.0750
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.5795]
_cell_length_b [7.2996]
_cell_length_c [7.6614]
_ce... |
agm005595591 | Be4Ge2Ti3 | data_[Ti6Be8Ge4]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9368]
_cell_length_b [3.8188]
_cell_length_c [7.2364]
_ce... |
oqmd-6753095 | Br4H2NdPr | data_[Pr1Nd1H2Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Nd 1.1400 1.8500 1.2765
H 2.2000 0.2500 0.0000
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.0187]
_cell_length_b [4.01... |
agm2000068657 | Cu3STe2 | data_[Cu3Te2S1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.9333]
_cell_length_b [5.8809]
_cell_length_c [18.9513]
_cell_... |
agm005804698 | P2TeTh3 | data_[Th6Te2P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Te 2.1000 1.4000 1.2933
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.1428]
_cell_length_b [4.1428]
_cell_length_c [22.0078]
... |
agm002645407 | Be2PtSe | data_[Be8Pt4Se4]
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
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.9480]
_cell_length_b [5.9480]
_cell_length_c [5.9480]
_c... |
agm005806819 | AgCoHo4 | data_[Ho64Co16Ag16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Co 1.8800 1.3500 0.7683
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [13.2261]
_cell_length_b [13.2261]
_cell_length_c [13.22... |
agm004073926 | BaBe2Br | data_[Ba1Be2Br1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Be 1.5700 1.0500 0.5900
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.1574]
_cell_length_b [4.2903]
_cell_length_c [6.2590]
_ce... |
mp-772444 | C2Li5Mn2NaO14P2 | data_[Na2Li10Mn4P4C4O28]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Li 0.9800 1.4500 0.9000
Mn 1.5500 1.4000 0.6483
P 2.1900 1.0000 0.5500
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group... |
oqmd-9674653 | Mo2Zr | data_[Zr4Mo8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.4270]
_cell_length_b [5.4270]
_cell_length_c [8.6668]
_cell_angle_alpha [90.0000]
_ce... |
agm005443736 | C2P | data_[P4C8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
P 2.1900 1.0000 0.5500
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.7017]
_cell_length_b [9.9832]
_cell_length_c [2.5799]
_cell_angle_alpha [90.0000]
_cell_angle... |
agm003861923 | Be2SbZn | data_[Be2Zn1Sb1]
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
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [2.8366]
_cell_length_b [3.9576]
_cell_length_c [5.8907]
_ce... |
agm005974188 | Ac2Pt2Th | data_[Ac8Th4Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Th 1.3000 1.8000 1.0800
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [8.0045]
_cell_length_b [11.6274]
_cell_length_c [6.9874]
_c... |
agm004323167 | BeCuHg2 | data_[Be1Cu1Hg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Cu 1.9000 1.3500 0.8200
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.3033]
_cell_length_b [4.1713]
_cell_length_c [5.3319]
_cell... |
agm004899602 | BaO8RuZr2 | data_[Ba2Zr4Ru2O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Zr 1.3300 1.5500 0.8600
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.0773]
_cell_length_b [6.61... |
agm005171945 | Be2Pd5PmZn | data_[Pm1Be2Zn1Pd5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Be 1.5700 1.0500 0.5900
Zn 1.6500 1.3500 0.8800
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.4333]
_cell_length_b [4... |
agm004523399 | Ag3Al4HgY2 | data_[Y2Al4Ag3Hg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Al 1.6100 1.2500 0.6750
Ag 1.9300 1.6000 1.0867
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.3051]
_cell_length_b [4.30... |
agm005169608 | AcP2PdPt5 | data_[Ac1P2Pd1Pt5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
P 2.1900 1.0000 0.5500
Pd 2.2000 1.4000 0.8462
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.2555]
_cell_length_b [4.2... |
agm2000089802 | Au2Mg2Se3 | data_[Mg4Au4Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Au 2.5400 1.3500 1.0700
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [4.0396]
_cell_length_b [11.6272]
_cell_length_c [18.7483]
_... |
agm001627212 | CdHPdPt2 | data_[Cd1H1Pd1Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
H 2.2000 0.2500 0.0000
Pd 2.2000 1.4000 0.8462
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9293]
_cell_length_b [3.9... |
agm002233059 | FePYb | data_[Yb4Fe4P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Fe 1.8300 1.4000 0.8525
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.8861]
_cell_length_b [4.0443]
_cell_length_c [6.4713]
_cell... |
agm002457513 | Cr3PtZr | data_[Zr1Cr3Pt1]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.7517]
_cell_length_b [4.7517]
_cell_length_c [4.7517]
_c... |
agm003616396 | As2LaTb | data_[La3Tb3As6]
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
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.2604]
_cell_length_b [4.2604]
_cell_length_c [20.8363]
_c... |
agm001428909 | BrCLa2Ta | data_[La2Ta1C1Br1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ta 1.5000 1.4500 0.8200
C 2.5500 0.7000 0.3000
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.6874]
_cell_length_b [5.6... |
agm003301090 | Ho2Ru2Zn15 | data_[Ho6Zn45Ru6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Zn 1.6500 1.3500 0.8800
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.9581]
_cell_length_b [8.9581]
_cell_length_c [12.9705]
_... |
agm005180851 | HPPdSm | data_[Sm1P1H1Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
P 2.1900 1.0000 0.5500
H 2.2000 0.2500 0.0000
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.2355]
_cell_length_b [4.2355... |
agm003717811 | DyPbSe3 | data_[Dy4Pb4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Pb 2.3300 1.8000 1.1225
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.4137]
_cell_length_b [5.6220]
_cell_length_c [7.7394]
_... |
oqmd-6163586 | CoDyEr2Ni8 | data_[Dy3Er6Co3Ni24]
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
Co 1.8800 1.3500 0.7683
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.9124]
_cell_length_b [4.... |
agm004997442 | DyHoLaTm2 | data_[La4Dy4Ho4Tm8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Dy 1.2200 1.7500 1.1310
Ho 1.2300 1.7500 1.0410
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [8.3780]
_cell_length_b [11.... |
agm001067147 | AcCeHo | data_[Ac4Ce4Ho4]
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
Ho 1.2300 1.7500 1.0410
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.1158]
_cell_length_b [15.6950]
_cell_length_c [5.1499]
_c... |
agm004550624 | Ag2LaSm2Zn2 | data_[La3Sm6Zn6Ag6]
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
Zn 1.6500 1.3500 0.8800
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.7056]
_cell_length_b [4.7... |
agm005632666 | Sc2Tb3Tm8 | data_[Tb6Tm16Sc4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Tm 1.2500 1.7500 1.0950
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5048]
_cell_length_b [8.9849]
_cell_length_c [6.6334]
_... |
agm004815080 | I2Nd4SbSi | data_[Nd4Si1Sb1I2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Si 1.9000 1.1000 0.5400
Sb 2.0500 1.4500 0.8300
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.7802]
_cell_length_b [4.408... |
agm004019017 | AgMnSi2 | data_[Mn1Si2Ag1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Si 1.9000 1.1000 0.5400
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.7898]
_cell_length_b [4.6278]
_cell_length_c [4.3931]
_ce... |
agm001270970 | HgMgNa | data_[Na1Mg1Hg1]
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
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [5.0348]
_cell_length_b [5.0348]
_cell_length_c [3.4544]
_c... |
agm002592747 | HfNi3Sc | data_[Hf1Sc1Ni3]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.5652]
_cell_length_b [4.5652]
_cell_length_c [4.5652]
_c... |
agm005460726 | MgRh4Si | data_[Mg4Si4Rh16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Si 1.9000 1.1000 0.5400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.2545]
_cell_length_b [7.2545]
_cell_length_c [7.2545]
_... |
agm006080240 | CdHo12Ni5 | data_[Ho24Cd2Ni10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Cd 1.6900 1.5500 1.0900
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.3205]
_cell_length_b [9.4711]
_cell_length_c [9.8315]
_... |
agm004274712 | K2LiSc | data_[K4Li2Sc2]
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
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.9882]
_cell_length_b [3.4450]
_cell_length_c [9.9457]
_cell_a... |
agm002795823 | BBiMg2 | data_[Mg8Bi4B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Bi 2.0200 1.6000 1.0350
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [7.9680]
_cell_length_b [7.9680]
_cell_length_c [5.3995]
_cel... |
agm001259361 | CeGeHo | data_[Ce1Ho1Ge1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ho 1.2300 1.7500 1.0410
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.7567]
_cell_length_b [4.7567]
_cell_length_c [4.1295]
_ce... |
agm005534485 | Ag4Te3 | data_[Ag24Te18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [14.3622]
_cell_length_b [14.3622]
_cell_length_c [5.8703]
_cell_angle_alpha [90.0000]
_cel... |
agm002684930 | HLa2Se | data_[La8H4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
H 2.2000 0.2500 0.0000
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1474]
_cell_length_b [7.1474]
_cell_length_c [7.1474]
_cel... |
agm005118556 | Mg2SmZn | data_[Sm4Mg8Zn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Mg 1.3100 1.5000 0.8600
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1176]
_cell_length_b [7.1176]
_cell_length_c [7.1176]
_c... |
agm005888884 | Ba2Bi3Mg | data_[Ba8Mg4Bi12]
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
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.5031]
_cell_length_b [5.1415]
_cell_length_c [20.7656]
_... |
agm004572834 | F6H2PdTl2 | data_[Tl6H6Pd3F18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
H 2.2000 0.2500 0.0000
Pd 2.2000 1.4000 0.8462
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.4559]
_cell_length_b [5.4559... |
agm2000024110 | BrLi | data_[Li6Br6]
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
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [4.9843]
_cell_length_b [13.3485]
_cell_length_c [17.2278]
_cell_angle_alpha [90.0000]
_cell... |
agm001126065 | CdCoTb2 | data_[Tb2Cd1Co1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Cd 1.6900 1.5500 1.0900
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.4483]
_cell_length_b [3.4483]
_cell_length_c [7.6529]
_... |
agm002892365 | Mo2PbSi | data_[Si4Mo8Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Mo 2.1600 1.4500 0.7750
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [4.1301]
_cell_length_b [4.1301]
_cell_length_c [18.6942]
_... |
agm003519224 | Ag8In2Sb | data_[In4Ag16Sb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Ag 1.9300 1.6000 1.0867
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3458]
_cell_length_b [13.3463]
_cell_length_c [5.1343]
_... |
agm002194444 | Pt2TlZr | data_[Zr4Tl4Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Tl 1.6200 1.9000 1.3325
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7208]
_cell_length_b [6.7208]
_cell_length_c [6.7208]
_c... |
agm001296236 | PmPtYZn | data_[Pm4Y4Zn4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Y 1.2200 1.8000 1.0400
Zn 1.6500 1.3500 0.8800
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1540]
_cell_length_b [7.15... |
agm001097332 | DyHoSc2 | data_[Dy4Ho4Sc8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ho 1.2300 1.7500 1.0410
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6315]
_cell_length_b [7.6315]
_cell_length_c [7.6315]
_c... |
agm001541558 | AlBCl2Ir | data_[Al1B1Ir1Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
B 2.0400 0.8500 0.4100
Ir 2.2000 1.3500 0.7650
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.8402]
_cell_length_b [4.8... |
agm002813292 | Ba2CdHf | data_[Ba8Hf4Cd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Hf 1.3000 1.5500 0.8500
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [9.3003]
_cell_length_b [9.3003]
_cell_length_c [6.7311]
_c... |
oqmd-5939275 | AuDyGe | data_[Dy4Ge4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ge 2.0100 1.2500 0.7700
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.1607]
_cell_length_b [4.2903]
_cell_length_c [8.0806]
_ce... |
agm004545458 | CFe2P2Tb2 | data_[Tb4Fe4P4C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Fe 1.8300 1.4000 0.8525
P 2.1900 1.0000 0.5500
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5020]
_cell_length_b [3.7852... |
agm002057732 | AgCrTa | data_[Ta2Cr2Ag2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Cr 1.6600 1.4000 0.9400
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.0526]
_cell_length_b [2.9677]
_cell_length_c [2.7752]
_cel... |
agm001186109 | Co4OsTi | data_[Ti4Co16Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Co 1.8800 1.3500 0.7683
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.6379]
_cell_length_b [6.6379]
_cell_length_c [6.6379]
_... |
agm005878624 | MnPd9Tl2 | data_[Mn1Tl2Pd9]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0310]
_cell_length_b [4.0310]
_cell_length_c [12.0786]
... |
agm005111516 | MgPrSe2 | data_[Pr3Mg3Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Mg 1.3100 1.5000 0.8600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.0007]
_cell_length_b [4.0007]
_cell_length_c [21.2392]
_ce... |
agm005199514 | HoIrPaS | data_[Ho3Pa3Ir3S3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Pa 1.5000 1.8000 1.0400
Ir 2.2000 1.3500 0.7650
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.8838]
_cell_length_b [3.8838... |
agm003357516 | Ge3H2Pm8 | data_[Pm24Ge9H6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Ge 2.0100 1.2500 0.7700
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.8210]
_cell_length_b [6.8210]
_cell_length_c [25.1623]
_ce... |
agm002798185 | BaPb2Re | data_[Ba4Re4Pb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Re 1.9000 1.3500 0.7125
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [6.1442]
_cell_length_b [6.1442]
_cell_length_c [16.9326]
_... |
agm005485528 | Au4Se3 | data_[Au8Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Au 2.5400 1.3500 1.0700
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.7349]
_cell_length_b [3.7349]
_cell_length_c [22.7469]
_cell_angle_alpha [90.0000]
_cel... |
agm006106622 | Dy12Sm6Y | data_[Sm18Dy36Y3]
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
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [13.2273]
_cell_length_b [13.2273]
_cell_length_c [12.6413]
... |
agm003539240 | Ni9Pm2Pu | data_[Pm6Pu3Ni27]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Pu 1.2800 1.7500 0.9675
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.9994]
_cell_length_b [4.9994]
_cell_length_c [24.6628]
_... |
oqmd-8174322 | Ti6W7 | data_[Ti18W21]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.1633]
_cell_length_b [5.1633]
_cell_length_c [27.2223]
_cell_angle_alpha [90.0000]
_cell_... |
agm005698066 | Cd4In7Sr3 | data_[Sr6Cd8In14]
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
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0317]
_cell_length_b [4.9242]
_cell_length_c [11.3310]
... |
agm001923289 | ErGdNdZr | data_[Nd4Gd4Er4Zr4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Gd 1.2000 1.8000 1.0750
Er 1.2400 1.7500 1.0300
Zr 1.3300 1.5500 0.8600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.8148]
_cell_length_b [7.... |
agm002271140 | CaF8Na2Yb | data_[Na4Ca2Yb2F16]
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
Yb 1.1000 1.7500 1.0840
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.9167]
_cell_length_b [5.76... |
oqmd-6760563 | In4PrRh2Tb | data_[Tb2Pr2In8Rh4]
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
In 1.7800 1.5500 0.9400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [7.9753]
_cell_length_b [4.4... |
oqmd-9988061 | Dy5Er2Rh2Te2 | data_[Dy10Er4Te4Rh4]
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
Te 2.1000 1.4000 1.2933
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.9053]
_cell_length_b [15... |
agm005720334 | N2PrSi | data_[Pr2Si2N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Si 1.9000 1.1000 0.5400
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4_2/m]
_cell_length_a [5.7158]
_cell_length_b [5.7158]
_cell_length_c [4.4619]
_ce... |
agm006062946 | Ac2Pm4Th | data_[Ac6Pm12Th3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Pm 1.1300 1.8500 1.1100
Th 1.3000 1.8000 1.0800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.7514]
_cell_length_b [3.7514]
_cell_length_c [63.4937]
_... |
agm006115907 | CeTb6Tm12 | data_[Tb18Ce3Tm36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ce 1.1200 1.8500 1.0800
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [13.0878]
_cell_length_b [13.0878]
_cell_length_c [12.2912... |
agm004815640 | ErNa2Se4Y | data_[Na2Y1Er1Se4]
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
Er 1.2400 1.7500 1.0300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1528]
_cell_length_b [4.130... |
agm004347541 | CrRe2W | data_[Cr1Re2W1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Re 1.9000 1.3500 0.7125
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [2.7581]
_cell_length_b [3.8520]
_cell_length_c [5.5379]
_cell... |
agm005723495 | Hg6Li2Sc | data_[Li8Sc4Hg24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sc 1.3600 1.6000 0.8850
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.0383]
_cell_length_b [10.8576]
_cell_length_c [5.1766]
... |
oqmd-9934507 | PdTe2Y6 | data_[Y6Te2Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Te 2.1000 1.4000 1.2933
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.4384]
_cell_length_b [8.4384]
_cell_length_c [3.9729]
_cel... |
agm001027688 | CuSbTm | data_[Tm4Cu4Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Cu 1.9000 1.3500 0.8200
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.8071]
_cell_length_b [7.2770]
_cell_length_c [7.1094]
_... |
agm2000087751 | AsFe3Te2 | data_[Fe6Te4As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Te 2.1000 1.4000 1.2933
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.9525]
_cell_length_b [6.0631]
_cell_length_c [18.4743]
_cel... |
oqmd-1998931 | Fe3N | data_[Fe3N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.4849]
_cell_length_b [3.4849]
_cell_length_c [3.4849]
_cell_angle_alpha [90.0000]
_cell_an... |
agm001180886 | In4NaRb | data_[Rb4Na4In16]
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
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [9.0982]
_cell_length_b [9.0982]
_cell_length_c [9.0982]
_... |
agm004497524 | CeF12Rb2V3 | data_[Rb6Ce3V9F36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ce 1.1200 1.8500 1.0800
V 1.6300 1.3500 0.7775
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [12.3715]
_cell_length_b [12.37... |
agm004442099 | MgReTe | data_[Mg2Re2Te2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Re 1.9000 1.3500 0.7125
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.2422]
_cell_length_b [3.2422]
_cell_length_c [12.5622]
_c... |
agm002718827 | GeIr2O | data_[Ge4Ir8O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
Ir 2.2000 1.3500 0.7650
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.9078]
_cell_length_b [5.9078]
_cell_length_c [5.9078]
_cel... |
agm002913765 | CCa2Pb2 | data_[Ca4Pb4C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Pb 2.3300 1.8000 1.1225
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [6.4208]
_cell_length_b [6.4208]
_cell_length_c [8.0109]
_ce... |
agm004811777 | CNO2Pu4 | data_[Pu4C1N1O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
C 2.5500 0.7000 0.3000
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.0561]
_cell_length_b [3.4951]
_... |
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