Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm005691200 | Cd2PdSr | data_[Sr8Cd16Pd8]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [16.5688]
_cell_length_b [8.1525]
_cell_length_c [5.8588]
_... |
agm001038174 | AgTaZr | data_[Zr2Ta2Ag2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ta 1.5000 1.4500 0.8200
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.7077]
_cell_length_b [4.7077]
_cell_length_c [6.0791]
_c... |
agm004991051 | PuSeTe2Th | data_[Pu2Th2Te4Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Th 1.3000 1.8000 1.0800
Te 2.1000 1.4000 1.2933
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.3672]
_cell_length_b [4... |
agm002716784 | CrO2Sb | data_[Cr4Sb4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.7521]
_cell_length_b [5.7521]
_cell_length_c [5.7521]
_cel... |
agm004988294 | AgLa2OPr | data_[La2Pr1Ag1O1]
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
Ag 1.9300 1.6000 1.0867
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0345]
_cell_length_b [5.0... |
agm006047252 | Au4BiTl4 | data_[Tl8Bi2Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Bi 2.0200 1.6000 1.0350
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4_2/n]
_cell_length_a [7.6544]
_cell_length_b [7.6544]
_cell_length_c [8.3790]
_... |
agm003026003 | HgRh2V2 | data_[V4Hg2Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Hg 2.0000 1.5000 1.2450
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.4373]
_cell_length_b [7.4373]
_cell_length_c [2.7879]
_ce... |
agm002858156 | FN2Tc | data_[Tc4N8F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
N 3.0400 0.6500 0.6300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.2748]
_cell_length_b [5.2748]
_cell_length_c [8.5586]
_cell_... |
agm004059229 | BeTcW | data_[Be2Tc2W2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Tc 1.9000 1.3500 0.7417
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.0996]
_cell_length_b [3.0996]
_cell_length_c [8.2854]
_cell... |
agm005483918 | IrSe5 | data_[Ir1Se5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ir 2.2000 1.3500 0.7650
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.4689]
_cell_length_b [6.4689]
_cell_length_c [3.5412]
_cell_angle_alpha [90.0000]
_cell_... |
agm004108294 | MgPtW2 | data_[Mg3Pt3W6]
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 [R3m]
_cell_length_a [2.8339]
_cell_length_b [2.8339]
_cell_length_c [28.3581]
_cell... |
agm001758752 | ClP2SbW | data_[Sb1P2W1Cl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
P 2.1900 1.0000 0.5500
W 2.3600 1.3500 0.7667
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.8197]
_cell_length_b [4.819... |
agm005916256 | GePm4Zn3 | data_[Pm12Zn9Ge3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Zn 1.6500 1.3500 0.8800
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.1620]
_cell_length_b [5.1620]
_cell_length_c [25.4615]
_... |
agm003531837 | Au2PbPm8 | data_[Pm16Pb2Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
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 [17.6739]
_cell_length_b [5.0933]
_cell_length_c [8.1829]
_... |
agm005245276 | MoNpO3 | data_[Np1Mo1O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.1082]
_cell_length_b [4.1082]
_cell_length_c [4.1082]
_cel... |
agm002838621 | HRbRu2 | data_[Rb8H8Ru16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
H 2.2000 0.2500 0.0000
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [8.2622]
_cell_length_b [8.2622]
_cell_length_c [8.2622]
_ce... |
agm001647167 | AsCaMgSr2 | data_[Sr2Ca1Mg1As1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ca 1.0000 1.8000 1.1400
Mg 1.3100 1.5000 0.8600
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.0319]
_cell_length_b [6... |
agm004175730 | ClP2Tl | data_[Tl2P4Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
P 2.1900 1.0000 0.5500
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [3.3681]
_cell_length_b [8.6935]
_cell_length_c [10.1055]
_cel... |
agm003879883 | CdMoTc | data_[Cd4Tc4Mo4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Tc 1.9000 1.3500 0.7417
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [3.1088]
_cell_length_b [4.6111]
_cell_length_c [14.2609]
_c... |
agm005061960 | CdMgO4P | data_[Mg4Cd4P4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Cd 1.6900 1.5500 1.0900
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.2990]
_cell_length_b [6.1277... |
agm003844828 | ScTlZn2 | data_[Sc2Tl2Zn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Tl 1.6200 1.9000 1.3325
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.9921]
_cell_length_b [10.2547]
_cell_length_c [3.1705]
_c... |
agm003406373 | Dy2GaTb2 | data_[Tb4Dy4Ga2]
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
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2092]
_cell_length_b [4.2092]
_cell_length_c [17.5180]
... |
agm2000106270 | FeMnTe3 | data_[Mn2Fe2Te6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Fe 1.8300 1.4000 0.8525
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [19.1547]
_cell_length_b [3.2192]
_cell_length_c [13.8257]
_... |
oqmd-9140983 | As2EuFeSr | data_[Sr4Eu4Fe4As8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Eu 1.2000 1.8500 1.1985
Fe 1.8300 1.4000 0.8525
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2941]
_cell_length_b [1... |
agm002384012 | Fe2PbV2 | data_[V4Fe4Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Fe 1.8300 1.4000 0.8525
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.8693]
_cell_length_b [13.5595]
_cell_length_c [2.9209]
_cel... |
agm002000460 | BRe2W | data_[Re6B3W3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
B 2.0400 0.8500 0.4100
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.8735]
_cell_length_b [2.8735]
_cell_length_c [23.6798]
_cell_... |
agm005031619 | HfN3PaTi | data_[Hf2Pa2Ti2N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Pa 1.5000 1.8000 1.0400
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 [6.8519]
_cell_length_b [3.1... |
agm003658581 | Bi5Pa4Sb | data_[Pa8Bi10Sb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Bi 2.0200 1.6000 1.0350
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.7836]
_cell_length_b [5.6778]
_cell_length_c [6.6834]
_... |
agm001381050 | AcLiRhTm | data_[Li4Ac4Tm4Rh4]
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
Tm 1.2500 1.7500 1.0950
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.2716]
_cell_length_b [7.... |
agm003885822 | Au2WY | data_[Y4W4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
W 2.3600 1.3500 0.7667
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.8330]
_cell_length_b [6.8330]
_cell_length_c [6.8330]
_cell_... |
agm004677656 | B2Rh9Sm3Sn | data_[Sm3Sn1B2Rh9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Sn 1.9600 1.4500 0.8300
B 2.0400 0.8500 0.4100
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.0168]
_cell_length_b [6.01... |
agm001554434 | BeNi2OV | data_[Be1V1Ni2O1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
V 1.6300 1.3500 0.7775
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7232]
_cell_length_b [3.723... |
oqmd-5876980 | B4NaTm | data_[Na1Tm1B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Tm 1.2500 1.7500 1.0950
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [3.1775]
_cell_length_b [3.1775]
_cell_length_c [7.9770]
_ce... |
agm002225338 | NaRbS2Zn | data_[Rb2Na2Zn2S4]
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
Zn 1.6500 1.3500 0.8800
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.2544]
_cell_length_b [4.25... |
agm004280149 | AlLiSr | data_[Sr4Li4Al4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Li 0.9800 1.4500 0.9000
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1028]
_cell_length_b [7.1028]
_cell_length_c [7.1028]
_c... |
agm002808016 | CIr2Ru | data_[Ir8Ru4C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ir 2.2000 1.3500 0.7650
Ru 2.2000 1.3000 0.6610
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.1806]
_cell_length_b [5.1806]
_cell_length_c [9.5735]
_cel... |
agm005946386 | Ga3Pd4Sc | data_[Sc3Ga9Pd12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ga 1.8100 1.3000 0.7600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.4748]
_cell_length_b [4.4748]
_cell_length_c [21.7145]
_... |
agm003859708 | Be2CaSi | data_[Ca3Be6Si3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Be 1.5700 1.0500 0.5900
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.7187]
_cell_length_b [3.7187]
_cell_length_c [16.1338]
_ce... |
agm002244070 | HoSn2Sr | data_[Sr4Ho4Sn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ho 1.2300 1.7500 1.0410
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7965]
_cell_length_b [7.7965]
_cell_length_c [7.7965]
_c... |
agm001667240 | CFe2ReZn | data_[Zn1Fe2Re1C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Fe 1.8300 1.4000 0.8525
Re 1.9000 1.3500 0.7125
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8586]
_cell_length_b [3.8... |
agm005508980 | Os2Tc | data_[Tc4Os8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [2.7046]
_cell_length_b [4.1625]
_cell_length_c [17.0502]
_cell_angle_alpha [90.0000]
_cell_... |
agm004984310 | Br6PbRb2Sc | data_[Rb2Sc1Pb1Br6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Sc 1.3600 1.6000 0.8850
Pb 2.3300 1.8000 1.1225
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.4493]
_cell_length_b [7.72... |
agm001323094 | CdGdPdSn | data_[Gd4Cd4Sn4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Cd 1.6900 1.5500 1.0900
Sn 1.9600 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.0656]
_cell_length_b [7.... |
oqmd-6430200 | AuBr6Cs2Cu | data_[Cs8Cu4Au4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Cu 1.9000 1.3500 0.8200
Au 2.5400 1.3500 1.0700
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.7269]
_cell_length_b [... |
agm001495916 | Ga2HgMgOs | data_[Mg1Ga2Hg1Os1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ga 1.8100 1.3000 0.7600
Hg 2.0000 1.5000 1.2450
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9293]
_cell_length_b [4... |
agm004226387 | Br2SiTa | data_[Ta2Si2Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Si 1.9000 1.1000 0.5400
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.0697]
_cell_length_b [5.8249]
_cell_length_c [12.0452]
_c... |
agm005113552 | PbS2Te | data_[Te3Pb3S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
Pb 2.3300 1.8000 1.1225
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.4012]
_cell_length_b [4.4012]
_cell_length_c [21.9095]
_cell... |
agm005578503 | Cd3Pt2Tm3 | data_[Tm3Cd3Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Cd 1.6900 1.5500 1.0900
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.6000]
_cell_length_b [7.6000]
_cell_length_c [3.6179]
_c... |
agm004499342 | Ba2Cd3Hg12Pr | data_[Ba6Pr3Cd9Hg36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Pr 1.1300 1.8500 1.0600
Cd 1.6900 1.5500 1.0900
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.2338]
_cell_length_b [7.... |
agm005258780 | LaMg14Mo | data_[La1Mg14Mo1]
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
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [6.4727]
_cell_length_b [6.4727]
_cell_length_c [10.2316]
... |
agm004076787 | BeCdPb2 | data_[Be2Cd2Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Cd 1.6900 1.5500 1.0900
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.4441]
_cell_length_b [4.4441]
_cell_length_c [10.0407]
_... |
oqmd-2887739 | CaCuMnRu | data_[Ca4Mn4Cu4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Mn 1.5500 1.4000 0.6483
Cu 1.9000 1.3500 0.8200
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.4221]
_cell_length_b [6.... |
agm004622132 | Ce3N6Pm2Th | data_[Ce6Pm4Th2N12]
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
Th 1.3000 1.8000 1.0800
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.6846]
_cell_length_b [3.5... |
agm002827561 | F2GeTa | data_[Ta4Ge4F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Ge 2.0100 1.2500 0.7700
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [7.6389]
_cell_length_b [7.6389]
_cell_length_c [5.0926]
_cel... |
agm004998130 | Ho2PmSmTh | data_[Pm2Sm2Ho4Th2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Sm 1.1700 1.8500 1.2290
Ho 1.2300 1.7500 1.0410
Th 1.3000 1.8000 1.0800
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [8.6158]
_cell_length_b [6.4... |
agm002982238 | H2Mn2Sr | data_[Sr2Mn4H4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Mn 1.5500 1.4000 0.6483
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.8930]
_cell_length_b [6.8930]
_cell_length_c [2.9106]
_ce... |
agm004675893 | As2PtRh9Tm3 | data_[Tm3As2Pt1Rh9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
As 2.1800 1.1500 0.6600
Pt 2.2800 1.3500 0.8050
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.2593]
_cell_length_b [6.... |
agm002839736 | Be2HHf | data_[Hf8Be16H8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Be 1.5700 1.0500 0.5900
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [6.9401]
_cell_length_b [6.9401]
_cell_length_c [6.9401]
_ce... |
agm001681263 | AsBr2HgMn | data_[Mn1Hg1As1Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Hg 2.0000 1.5000 1.2450
As 2.1800 1.1500 0.6600
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.1879]
_cell_length_b [5... |
agm002823189 | CuHg2Pb | data_[Cu4Hg8Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Hg 2.0000 1.5000 1.2450
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [8.2244]
_cell_length_b [8.2244]
_cell_length_c [5.8085]
_c... |
agm004751886 | Pt2Si2ThZn | data_[Th1Zn1Si2Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Zn 1.6500 1.3500 0.8800
Si 1.9000 1.1000 0.5400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.2294]
_cell_length_b [4.... |
agm003012124 | Ga2Hg2S | data_[Ga4Hg4S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Hg 2.0000 1.5000 1.2450
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.6952]
_cell_length_b [6.6952]
_cell_length_c [5.3263]
_ce... |
agm004905077 | CsMnO8Pa2 | data_[Cs1Pa2Mn1O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Pa 1.5000 1.8000 1.0400
Mn 1.5500 1.4000 0.6483
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.2328]
_cell_length_b [5.4385... |
agm001841628 | BiPTh | data_[Th2Bi2P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Bi 2.0200 1.6000 1.0350
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.9775]
_cell_length_b [3.9775]
_cell_length_c [11.1455]
_cel... |
agm005908933 | HoNd2Th2 | data_[Nd6Ho3Th6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ho 1.2300 1.7500 1.0410
Th 1.3000 1.8000 1.0800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.6119]
_cell_length_b [3.6119]
_cell_length_c [44.0224]
_c... |
agm005868795 | Au2HoPd2 | data_[Ho2Pd4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Pd 2.2000 1.4000 0.8462
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8665]
_cell_length_b [4.9942]
_cell_length_c [5.1238]
_ce... |
agm004142382 | Mn2PbSb | data_[Mn2Sb1Pb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Sb 2.0500 1.4500 0.8300
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.8894]
_cell_length_b [4.1958]
_cell_length_c [5.1079]
_ce... |
agm002496620 | CHTa3 | data_[Ta3H1C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
H 2.2000 0.2500 0.0000
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.2347]
_cell_length_b [4.2347]
_cell_length_c [4.2347]
_cell_... |
agm003299686 | CdSm7 | data_[Sm28Cd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.0593]
_cell_length_b [10.0593]
_cell_length_c [10.0593]
_cell_angle_alpha [90.0000]
_c... |
agm002730761 | CdMn2S | data_[Mn8Cd4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Cd 1.6900 1.5500 1.0900
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.9949]
_cell_length_b [5.9949]
_cell_length_c [5.9949]
_cel... |
agm001448360 | C2MoORb | data_[Rb1Mo1C2O1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Mo 2.1600 1.4500 0.7750
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9770]
_cell_length_b [4.977... |
agm005962857 | Cd5HoMg2 | data_[Ho2Mg4Cd10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Mg 1.3100 1.5000 0.8600
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.5324]
_cell_length_b [4.5324]
_cell_length_c [17.7925]... |
agm005427489 | AuC5 | data_[Au1C5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Au 2.5400 1.3500 1.0700
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [3.5198]
_cell_length_b [3.5198]
_cell_length_c [8.1194]
_cell_angle_alpha [90.0000]
_cell_a... |
oqmd-10009631 | Cu2Dy3Te2Tm4 | data_[Dy6Tm8Cu4Te4]
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
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.9227]
_cell_length_b [15.... |
agm006057180 | NiTe6Th3 | data_[Th12Ni4Te24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Ni 1.9100 1.3500 0.7400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [12.3442]
_cell_length_b [14.7737]
_cell_length_c [7.172... |
agm002904227 | HgRbZn2 | data_[Rb4Zn8Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Zn 1.6500 1.3500 0.8800
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [5.3603]
_cell_length_b [5.3603]
_cell_length_c [19.3321... |
agm002341646 | CuKPm2 | data_[K4Pm8Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Pm 1.1300 1.8500 1.1100
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6415]
_cell_length_b [7.6415]
_cell_length_c [7.6415]
_cel... |
agm002457962 | Cd3CrW | data_[Cr1Cd3W1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Cd 1.6900 1.5500 1.0900
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.2630]
_cell_length_b [5.2630]
_cell_length_c [5.2630]
_cel... |
agm003564056 | Au3MgPd5 | data_[Mg4Pd20Au12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Pd 2.2000 1.4000 0.8462
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.4567]
_cell_length_b [7.4567]
_cell_length_c [11.5974... |
agm004689879 | NaNd3Se8Sm3 | data_[Na3Nd9Sm9Se24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Nd 1.1400 1.8500 1.2765
Sm 1.1700 1.8500 1.2290
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.3653]
_cell_length_b [8.... |
agm002543067 | GeNa3S | data_[Na3Ge1S1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ge 2.0100 1.2500 0.7700
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.2538]
_cell_length_b [5.2538]
_cell_length_c [5.2538]
_cel... |
oqmd-4077316 | Sn2TcTi2 | data_[Ti4Tc2Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Tc 1.9000 1.3500 0.7417
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.6786]
_cell_length_b [3.6786]
_cell_length_c [14.1334]
... |
agm005711889 | Cd2DyHg3 | data_[Dy2Cd4Hg6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Cd 1.6900 1.5500 1.0900
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.1168]
_cell_length_b [5.1168]
_cell_length_c [12.4995]
_... |
agm003719913 | AlAu3Pb | data_[Al4Pb4Au12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Pb 2.3300 1.8000 1.1225
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.9600]
_cell_length_b [5.5271]
_cell_length_c [8.4916]
... |
agm004140206 | CuMg2Se | data_[Mg2Cu1Se1]
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
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5660]
_cell_length_b [4.5660]
_cell_length_c [3.5093]
_... |
agm005081250 | BiDyO6Ta | data_[Dy2Ta2Bi2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ta 1.5000 1.4500 0.8200
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [5.0368]
_cell_length_b [5.... |
agm005274123 | AsF6In3 | data_[In9As3F18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
As 2.1800 1.1500 0.6600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [10.8818]
_cell_length_b [10.8818]
_cell_length_c [9.3247]
_c... |
agm002934006 | Mn2NSi2 | data_[Mn4Si4N2]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.0844]
_cell_length_b [3.0844]
_cell_length_c [12.4082]
_c... |
agm005556515 | Hg2Li2Nd3 | data_[Li4Nd6Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Nd 1.1400 1.8500 1.2765
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4881]
_cell_length_b [5.0439]
_cell_length_c [6.6065]
_c... |
agm002993105 | K2Mg2Tl | data_[K4Mg4Tl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Mg 1.3100 1.5000 0.8600
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.7402]
_cell_length_b [7.7402]
_cell_length_c [6.2310]
_ce... |
agm001997079 | Br2InPa | data_[Pa3In3Br6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
In 1.7800 1.5500 0.9400
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.6072]
_cell_length_b [3.6072]
_cell_length_c [33.0644]
_c... |
agm003808871 | LaLiP | data_[Li4La4P4]
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
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [4.6898]
_cell_length_b [5.7133]
_cell_length_c [10.1319]
_cel... |
agm003967219 | AsCl2Tl | data_[Tl2As2Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
As 2.1800 1.1500 0.6600
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.5017]
_cell_length_b [6.3844]
_cell_length_c [9.3975]
_ce... |
oqmd-9415396 | HHgTh | data_[Th4Hg4H4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Hg 2.0000 1.5000 1.2450
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2040]
_cell_length_b [12.3049]
_cell_length_c [4.5025]
_cel... |
agm003562950 | Ce5GeRu3 | data_[Ce20Ge4Ru12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ge 2.0100 1.2500 0.7700
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2529]
_cell_length_b [8.9142]
_cell_length_c [9.3892]
... |
agm001112872 | CrPaV2 | data_[Pa4V8Cr4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
V 1.6300 1.3500 0.7775
Cr 1.6600 1.4000 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2407]
_cell_length_b [6.2407]
_cell_length_c [6.2407]
_cel... |
agm004284801 | AsPbW | data_[As1Pb1W1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
As 2.1800 1.1500 0.6600
Pb 2.3300 1.8000 1.1225
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.2817]
_cell_length_b [3.2817]
_cell_length_c [6.8615]
_cell... |
agm005479275 | Br4SrTe | data_[Sr4Te4Br16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Te 2.1000 1.4000 1.2933
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [9.0792]
_cell_length_b [9.0792]
_cell_length_c [9.0792]
_... |
agm001013486 | DySiU | data_[Dy4U4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
U 1.3800 1.7500 0.9913
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.0010]
_cell_length_b [11.5243]
_cell_length_c [7.7678]
_c... |
oqmd-2292102 | LiMn2Sc | data_[Li4Sc4Mn8]
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
Mn 1.5500 1.4000 0.6483
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.9163]
_cell_length_b [5.9163]
_cell_length_c [5.9163]
_c... |
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