Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm002553000 | CdMoNi3 | data_[Cd1Ni3Mo1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Ni 1.9100 1.3500 0.7400
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.5176]
_cell_length_b [4.5176]
_cell_length_c [4.5176]
_c... |
agm005137402 | Rh5Sm2Sn2Zn | data_[Sm4Zn2Sn4Rh10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Zn 1.6500 1.3500 0.8800
Sn 1.9600 1.4500 0.8300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [10.2141]
_cell_length_b ... |
agm002816923 | Bi2ClW | data_[Bi8W4Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
W 2.3600 1.3500 0.7667
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [6.7171]
_cell_length_b [6.7171]
_cell_length_c [12.9892]
_ce... |
agm006055258 | La12MgY5 | data_[La24Y10Mg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Y 1.2200 1.8000 1.0400
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.0525]
_cell_length_b [10.9300]
_cell_length_c [6.3882]
_... |
agm005685928 | AcBaSi | data_[Ba4Ac4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ac 1.1000 1.9500 1.2600
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.6379]
_cell_length_b [24.5893]
_cell_length_c [4.1167]
_c... |
agm002387350 | MgO4Zr | data_[Mg2Zr2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Zr 1.3300 1.5500 0.8600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.0495]
_cell_length_b [3.8159]
_cell_length_c [5.6405]
_cell... |
agm004124547 | LaMo2Se | data_[La3Mo6Se3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Mo 2.1600 1.4500 0.7750
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.3429]
_cell_length_b [3.3429]
_cell_length_c [25.2115]
_c... |
agm002505404 | KWY3 | data_[K1Y3W1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Y 1.2200 1.8000 1.0400
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.6234]
_cell_length_b [5.6234]
_cell_length_c [5.6234]
_cell_an... |
agm002756523 | BeInTe2 | data_[Be3In3Te6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
In 1.7800 1.5500 0.9400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.5274]
_cell_length_b [3.5274]
_cell_length_c [29.5292]
_c... |
agm005665198 | Ac2B7Rh12 | data_[Ac2B7Rh12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
B 2.0400 0.8500 0.4100
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [8.4591]
_cell_length_b [8.4591]
_cell_length_c [4.9087]
_cell... |
agm005091459 | Cl6CoErTl | data_[Er1Tl1Co1Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Tl 1.6200 1.9000 1.3325
Co 1.8800 1.3500 0.7683
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [6.6240]
_cell_length_b [6.6... |
agm003337841 | Fe2Ge4Ho3 | data_[Ho6Fe4Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Fe 1.8300 1.4000 0.8525
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5185]
_cell_length_b [4.2139]
_cell_length_c [7.9799]
_c... |
agm001380465 | CaInLiMg | data_[Li4Ca4Mg4In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ca 1.0000 1.8000 1.1400
Mg 1.3100 1.5000 0.8600
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.2773]
_cell_length_b [7.... |
agm2000104599 | CsFeTe2 | data_[Cs2Fe2Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Fe 1.8300 1.4000 0.8525
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [18.6371]
_cell_length_b [3.7098]
_cell_length_c [13.6978]
_... |
oqmd-9143236 | B2Ho2O6Zn | data_[Ho4Zn2B4O12]
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
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.5443]
_cell_length_b [4.9588... |
agm006011953 | Ac8LiPt2 | data_[Li2Ac16Pt4]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3313]
_cell_length_b [14.7721]
_cell_length_c [6.3067]
_... |
agm001642085 | AlFeHPd2 | data_[Al1Fe1H1Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Fe 1.8300 1.4000 0.8525
H 2.2000 0.2500 0.0000
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9301]
_cell_length_b [3.9... |
oqmd-3753909 | FeTiZn | data_[Ti4Zn4Fe4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Zn 1.6500 1.3500 0.8800
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.7668]
_cell_length_b [5.7668]
_cell_length_c [5.7668]
_c... |
oqmd-5798329 | CZn14 | data_[Zn42C3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.0599]
_cell_length_b [8.0599]
_cell_length_c [12.7596]
_cell_angle_alpha [90.0000]
_cell_a... |
agm003529381 | Au2CuMg8 | data_[Mg16Cu2Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Cu 1.9000 1.3500 0.8200
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.3748]
_cell_length_b [4.6280]
_cell_length_c [6.6496]
_... |
agm001255590 | H12Ho5Pm3 | data_[Pm24Ho40H96]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Ho 1.2300 1.7500 1.0410
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [13.1899]
_cell_length_b [13.1899]
_cell_length_c [13.1899... |
agm004068039 | Be2InTc | data_[Be4In2Tc2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
In 1.7800 1.5500 0.9400
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.5349]
_cell_length_b [4.0197]
_cell_length_c [7.5784]
_ce... |
agm003617353 | CdIn2K | data_[K4Cd4In8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Cd 1.6900 1.5500 1.0900
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.0766]
_cell_length_b [11.8633]
_cell_length_c [7.8976]
_cel... |
mp-769153 | F3Li2O4SSb | data_[Li8Sb4S4O16F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sb 2.0500 1.4500 0.8300
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_len... |
oqmd-9936852 | CoPb2Ti6 | data_[Ti6Co1Pb2]
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
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.5930]
_cell_length_b [7.5930]
_cell_length_c [3.2660]
_c... |
oqmd-3671905 | HfPbTa | data_[Hf4Ta4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ta 1.5000 1.4500 0.8200
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.7954]
_cell_length_b [6.7954]
_cell_length_c [6.7954]
_c... |
agm003332030 | Li3Pd2Sn3 | data_[Li6Sn6Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sn 1.9600 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.3637]
_cell_length_b [4.3770]
_cell_length_c [15.5329]
_c... |
agm005679519 | ErIrLi | data_[Li1Er1Ir1]
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
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.1871]
_cell_length_b [4.4336]
_cell_length_c [4.5562]
_ce... |
agm005896411 | Np2PuS5 | data_[Pu2Np4S10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Np 1.3600 1.7500 1.0000
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [7.3642]
_cell_length_b [11.7116]
_cell_length_c [3.9614]
_ce... |
agm002672621 | Ag2FFe | data_[Fe4Ag8F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Ag 1.9300 1.6000 1.0867
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3202]
_cell_length_b [6.3202]
_cell_length_c [6.3202]
_cel... |
agm002641735 | B2KY | data_[K4Y4B8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Y 1.2200 1.8000 1.0400
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6802]
_cell_length_b [6.6802]
_cell_length_c [6.6802]
_cell_an... |
agm003786029 | CdCr2Mg | data_[Mg1Cr2Cd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Cr 1.6600 1.4000 0.9400
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.0929]
_cell_length_b [3.0929]
_cell_length_c [7.0001]
_ce... |
agm004193285 | BrHgIr2 | data_[Hg3Ir6Br3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
Ir 2.2000 1.3500 0.7650
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [2.9864]
_cell_length_b [2.9864]
_cell_length_c [30.7497]
_ce... |
agm004218041 | AuCaMg2 | data_[Ca2Mg4Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Mg 1.3100 1.5000 0.8600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.4478]
_cell_length_b [5.2302]
_cell_length_c [10.6975]
_c... |
agm003550072 | Ce3InPt4 | data_[Ce6In2Pt8]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.8624]
_cell_length_b [6.6651]
_cell_length_c [14.9105]
_c... |
agm005972400 | In4La3Th | data_[La3Th1In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Th 1.3000 1.8000 1.0800
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5920]
_cell_length_b [3.5920]
_cell_length_c [18.5020]
... |
oqmd-2065448 | CsO3Th | data_[Cs4Th4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Th 1.3000 1.8000 1.0800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.9987]
_cell_length_b [13.4092]
_cell_length_c [5.7296]
_ce... |
agm003671587 | KPa4Te8 | data_[K4Pa16Te32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Pa 1.5000 1.8000 1.0400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [13.0018]
_cell_length_b [13.0018]
_cell_length_c [13.0018]... |
oqmd-8701456 | BBiSc2 | data_[Sc4Bi2B2]
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
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.5306]
_cell_length_b [3.5306]
_cell_length_c [15.2429]
... |
oqmd-9368247 | As2SmTbTe2 | data_[Tb1Sm1Te2As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Sm 1.1700 1.8500 1.2290
Te 2.1000 1.4000 1.2933
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.1111]
_cell_length_b [4.1... |
agm005622723 | Hg2Tb3Tm | data_[Tb6Tm2Hg4]
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
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [5.1384]
_cell_length_b [9.2515]
_cell_length_c [7.0004]
_... |
agm002934820 | BiMn2Na2 | data_[Na4Mn4Bi2]
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
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.1953]
_cell_length_b [3.1953]
_cell_length_c [21.2316]
... |
agm003946725 | MnPtRu2 | data_[Mn1Ru2Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Ru 2.2000 1.3000 0.6610
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [2.7139]
_cell_length_b [4.0693]
_cell_length_c [5.2190]
_ce... |
agm002051520 | CaHfOs2 | data_[Ca2Hf2Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Hf 1.3000 1.5500 0.8500
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.4080]
_cell_length_b [5.0756]
_cell_length_c [5.7662]
_cell... |
agm003766138 | S6UV | data_[U1V1S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
V 1.6300 1.3500 0.7775
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.9554]
_cell_length_b [5.9578]
_cell_length_c [6.2213]
_cell_angl... |
agm001333295 | AgHgInSn | data_[In4Ag4Sn4Hg4]
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
Sn 1.9600 1.4500 0.8300
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.3027]
_cell_length_b [7.... |
agm002069815 | BrCsH2La | data_[Cs3La3H6Br3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
La 1.1000 1.9500 1.1720
H 2.2000 0.2500 0.0000
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.2070]
_cell_length_b [4.2070... |
agm001396679 | AcPbPdTm | data_[Ac4Tm4Pd4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Tm 1.2500 1.7500 1.0950
Pd 2.2000 1.4000 0.8462
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.6807]
_cell_length_b [7.... |
agm004369624 | BaCaIn2 | data_[Ba1Ca1In2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ca 1.0000 1.8000 1.1400
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.9428]
_cell_length_b [3.9428]
_cell_length_c [9.3104]
_ce... |
oqmd-6404088 | Cl6Cs2RbSb | data_[Cs8Rb4Sb4Cl24]
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
Sb 2.0500 1.4500 0.8300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.4664]
_cell_length_b [... |
agm005688478 | N4Pm2Y3 | data_[Pm4Y6N8]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.7597]
_cell_length_b [3.5220]
_cell_length_c [8.7494]
_cell_... |
agm002661521 | ClIn2Sc | data_[Sc4In8Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
In 1.7800 1.5500 0.9400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4406]
_cell_length_b [7.4406]
_cell_length_c [7.4406]
_c... |
agm005555970 | Cd3Li2Rh2 | data_[Li4Cd6Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cd 1.6900 1.5500 1.0900
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.6233]
_cell_length_b [4.5308]
_cell_length_c [5.3478]
_ce... |
agm004768209 | BeBiO4Rb2 | data_[Rb16Be8Bi8O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Be 1.5700 1.0500 0.5900
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [5.2608]
_cell_length_b [12.... |
agm001594205 | PPbScSe2 | data_[Sc1P1Pb1Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
P 2.1900 1.0000 0.5500
Pb 2.3300 1.8000 1.1225
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.3273]
_cell_length_b [5.3... |
agm004145751 | CrSe2Sr | data_[Sr2Cr2Se4]
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
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.0216]
_cell_length_b [6.4428]
_cell_length_c [7.8351]
_ce... |
agm003764755 | AlTmY6 | data_[Y18Tm3Al3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Tm 1.2500 1.7500 1.0950
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.1993]
_cell_length_b [9.1993]
_cell_length_c [10.0297]
_cel... |
agm005472675 | CaHg4Ni | data_[Ca4Ni4Hg16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ni 1.9100 1.3500 0.7400
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.2536]
_cell_length_b [8.2536]
_cell_length_c [8.2536]
_... |
agm002398214 | AlPd3Rb | data_[Rb1Al1Pd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Al 1.6100 1.2500 0.6750
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.1389]
_cell_length_b [5.1389]
_cell_length_c [5.1389]
_c... |
agm006000363 | Nd4Pm10Sc | data_[Pm20Nd8Sc2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Nd 1.1400 1.8500 1.2765
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [9.9369]
_cell_length_b [9.9369]
_cell_length_c [10.5184]
_... |
agm002542385 | Ge3NaNb | data_[Na1Nb1Ge3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Nb 1.6000 1.4500 0.8200
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.0623]
_cell_length_b [5.0623]
_cell_length_c [5.0623]
_c... |
agm006103549 | In5Pr6Zn | data_[Pr12Zn2In10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Zn 1.6500 1.3500 0.8800
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.4907]
_cell_length_b [16.4499]
_cell_length_c [7.7689]
... |
agm001908639 | InNdSmTi | data_[Nd4Sm4Ti4In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Sm 1.1700 1.8500 1.2290
Ti 1.5400 1.4000 0.8517
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.6000]
_cell_length_b [7.... |
agm003476278 | Ga5Rh2Th | data_[Th2Ga10Rh4]
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 [Immm]
_cell_length_a [4.0513]
_cell_length_b [7.3657]
_cell_length_c [9.6779]
_c... |
agm004812696 | AcBaK2O4 | data_[K2Ba1Ac1O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ba 0.8900 2.1500 1.4900
Ac 1.1000 1.9500 1.2600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.7236]
_cell_length_b [3.9340]... |
agm005937249 | AgHg4In | data_[In4Ag4Hg16]
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
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.6852]
_cell_length_b [10.5288]
_cell_length_c [5.9790]
_... |
agm005810963 | Ag3KZn | data_[K4Zn4Ag12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Zn 1.6500 1.3500 0.8800
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.7318]
_cell_length_b [10.1168]
_cell_length_c [8.7792]
_ce... |
agm001993000 | Ce2LiPb | data_[Li3Ce6Pb3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ce 1.1200 1.8500 1.0800
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.2468]
_cell_length_b [3.2468]
_cell_length_c [36.7989]
_c... |
agm005999060 | Er5Hg2Pt | data_[Er10Hg4Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Hg 2.0000 1.5000 1.2450
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [6.9189]
_cell_length_b [12.2728]
_cell_length_c [4.8664]
_... |
agm005929980 | Au2InSm5 | data_[Sm20In4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
In 1.7800 1.5500 0.9400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.2602]
_cell_length_b [8.2602]
_cell_length_c [13.3649]... |
agm004970793 | Ac2MgS6Sb | data_[Ac4Mg2Sb2S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Mg 1.3100 1.5000 0.8600
Sb 2.0500 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8001]
_cell_length_b [7.... |
agm001306953 | ErLiLuSi | data_[Li4Er4Lu4Si4]
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
Lu 1.2700 1.7500 1.0010
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.9106]
_cell_length_b [6.... |
agm003426191 | As2CsNi3 | data_[Cs4Ni12As8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ni 1.9100 1.3500 0.7400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.8962]
_cell_length_b [3.8040]
_cell_length_c [9.1632]
_... |
agm005612605 | Al3Rh2Se6 | data_[Al12Rh8Se24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Rh 2.2800 1.3500 0.7450
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.0602]
_cell_length_b [5.3235]
_cell_length_c [12.3228]... |
agm004844050 | DyPmSb4Th2 | data_[Pm1Dy1Th2Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Dy 1.2200 1.7500 1.1310
Th 1.3000 1.8000 1.0800
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.7219]
_cell_length_b [4.4... |
agm004229214 | CaSc2Se | data_[Ca2Sc4Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Sc 1.3600 1.6000 0.8850
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.0000]
_cell_length_b [5.7145]
_cell_length_c [9.2110]
_ce... |
agm003019665 | In2Pt2Si | data_[In4Si2Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Si 1.9000 1.1000 0.5400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.7035]
_cell_length_b [6.7035]
_cell_length_c [4.1831]
_... |
agm001398980 | AlFeMoPa | data_[Pa4Al4Fe4Mo4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Al 1.6100 1.2500 0.6750
Fe 1.8300 1.4000 0.8525
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.4236]
_cell_length_b [6.... |
agm005751682 | NiPt6Pu2 | data_[Pu4Ni2Pt12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Ni 1.9100 1.3500 0.7400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.5134]
_cell_length_b [5.5229]
_cell_length_c [6.4342]
_c... |
agm001116919 | ErTc2Ti | data_[Er1Ti1Tc2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ti 1.5400 1.4000 0.8517
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.2293]
_cell_length_b [3.2293]
_cell_length_c [6.6473]
_... |
agm005968430 | BiMg3Nd4 | data_[Nd12Mg9Bi3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Mg 1.3100 1.5000 0.8600
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.5190]
_cell_length_b [5.5190]
_cell_length_c [27.1541]
_... |
agm005566030 | Cs2I5Sn2 | data_[Cs2Sn2I5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Sn 1.9600 1.4500 0.8300
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.3543]
_cell_length_b [6.3543]
_cell_length_c [10.0613]
_c... |
agm004770230 | CoCs2FeS4 | data_[Cs16Fe8Co8S32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Fe 1.8300 1.4000 0.8525
Co 1.8800 1.3500 0.7683
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [5.3367]
_cell_length_b [14.... |
oqmd-8981352 | N3Sn3Ti4V2 | data_[Ti16V8Sn12N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
V 1.6300 1.3500 0.7775
Sn 1.9600 1.4500 0.8300
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.4958]
_cell_length_b [5.48... |
agm005035197 | HoLaLiS3 | data_[Li2La2Ho2S6]
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
Ho 1.2300 1.7500 1.0410
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.1571]
_cell_length_b [3.9... |
agm001829194 | InPu3 | data_[Pu3In1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.2225]
_cell_length_b [3.5607]
_cell_length_c [8.2413]
_cell_angle_alpha [90.0000]
_cell_a... |
agm005042495 | AcGeRh3Sb | data_[Ac4Ge4Sb4Rh12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Ge 2.0100 1.2500 0.7700
Sb 2.0500 1.4500 0.8300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.9349]
_cell_length_b [15... |
agm2000015408 | AsBi | data_[Bi4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.4411]
_cell_length_b [9.1478]
_cell_length_c [17.9425]
_cell_angle_alpha [90.0000]
_cell_... |
agm004826805 | Cl2HLa4Tc | data_[La4Tc1H1Cl2]
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
H 2.2000 0.2500 0.0000
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.6290]
_cell_length_b [4.097... |
agm004566555 | Ce2CoGa2Ge4 | data_[Ce4Ga4Co2Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [6.2644]
_cell_length_b [6... |
agm001251423 | Mn5O12Pm3 | data_[Pm24Mn40O96]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Mn 1.5500 1.4000 0.6483
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [12.7422]
_cell_length_b [12.7422]
_cell_length_c [12.7422... |
agm003680213 | Al5Dy7In | data_[Dy14Al10In2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Al 1.6100 1.2500 0.6750
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [6.2295]
_cell_length_b [9.9737]
_cell_length_c [10.5994]
... |
agm003382644 | Ac4Sn3Tl5 | data_[Ac8Tl10Sn6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Tl 1.6200 1.9000 1.3325
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.4932]
_cell_length_b [5.4861]
_cell_length_c [11.3850]
... |
agm001183582 | HgNpRh4 | data_[Np4Hg4Rh16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Hg 2.0000 1.5000 1.2450
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.4581]
_cell_length_b [7.4581]
_cell_length_c [7.4581]
_... |
agm002597562 | MoSeY3 | data_[Y3Mo1Se1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Mo 2.1600 1.4500 0.7750
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.2555]
_cell_length_b [5.2555]
_cell_length_c [5.2555]
_cel... |
agm001651696 | HLiSc2Zr | data_[Li1Zr1Sc2H1]
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
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5442]
_cell_length_b [4.5... |
agm004108389 | MgPtW | data_[Mg1Pt1W1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Pt 2.2800 1.3500 0.8050
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.5990]
_cell_length_b [4.5990]
_cell_length_c [2.7334]
_cel... |
agm003360869 | Er2Nd5Pr4 | data_[Pr8Nd10Er4]
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
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.5494]
_cell_length_b [9.5748]
_cell_length_c [23.3318]
_... |
mp-775863 | N2OZr2 | data_[Zr24N24O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.8049]
_cell_length_b [3.3294]
_cell_length_c [16.6463]
_cel... |
agm004083133 | ClHgIr2 | data_[Hg3Ir6Cl3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
Ir 2.2000 1.3500 0.7650
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [2.9398]
_cell_length_b [2.9398]
_cell_length_c [30.2849]
_ce... |
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