Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm004815810 | CaNd2Se4Y | data_[Ca1Nd2Y1Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Nd 1.1400 1.8500 1.2765
Y 1.2200 1.8000 1.0400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.2184]
_cell_length_b [4.151... |
agm003532941 | Al2HfPd8 | data_[Hf2Al4Pd16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Al 1.6100 1.2500 0.6750
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.8612]
_cell_length_b [4.1099]
_cell_length_c [6.4228]
_... |
agm003858862 | CaMn2Tc | data_[Ca2Mn4Tc2]
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
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.9767]
_cell_length_b [3.9767]
_cell_length_c [8.7757]
_c... |
agm005230514 | F6KNiOV | data_[K4V4Ni4O4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
V 1.6300 1.3500 0.7775
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.... |
agm005623266 | InLaY | data_[La2Y2In2]
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
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.5512]
_cell_length_b [5.5512]
_cell_length_c [6.8365]
_... |
agm004400504 | AsCdMg | data_[Mg4Cd4As4]
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
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.6480]
_cell_length_b [6.6480]
_cell_length_c [6.6480]
_c... |
agm003661220 | Cu6Ge4Sr | data_[Sr1Cu6Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cu 1.9000 1.3500 0.8200
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [7.0332]
_cell_length_b [7.0332]
_cell_length_c [4.0937]
_c... |
agm002424374 | BeRh3Ti | data_[Ti1Be1Rh3]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.4911]
_cell_length_b [4.4911]
_cell_length_c [4.4911]
_c... |
agm001569272 | AgB2RhSi | data_[Si1Ag1B2Rh1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Ag 1.9300 1.6000 1.0867
B 2.0400 0.8500 0.4100
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9082]
_cell_length_b [3.9... |
agm004697157 | S8Sm3Tb3Tm | data_[Tb9Sm9Tm3S24]
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
Tm 1.2500 1.7500 1.0950
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.8916]
_cell_length_b [7.89... |
agm004530558 | AgBa2Hg3Pd4 | data_[Ba2Ag1Hg3Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ag 1.9300 1.6000 1.0867
Hg 2.0000 1.5000 1.2450
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.5423]
_cell_length_b [4.... |
agm005065894 | AsMgO5Pm | data_[Pm4Mg4As4O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Mg 1.3100 1.5000 0.8600
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.4384]
_cell_length_b [8.92... |
agm004669488 | B2GaPm3Pt8 | data_[Pm3Ga1B2Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Ga 1.8100 1.3000 0.7600
B 2.0400 0.8500 0.4100
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.5012]
_cell_length_b [5.50... |
agm001845362 | CePaPu | data_[Ce2Pu2Pa2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Pu 1.2800 1.7500 0.9675
Pa 1.5000 1.8000 1.0400
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.3289]
_cell_length_b [3.3289]
_cell_length_c [13.5406]
_c... |
agm002447649 | ClCo3Y | data_[Y1Co3Cl1]
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
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.8848]
_cell_length_b [4.8848]
_cell_length_c [4.8848]
_cel... |
agm002801149 | BeBr2Ca | data_[Ca4Be4Br8]
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
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.2714]
_cell_length_b [5.2714]
_cell_length_c [17.6474]
_... |
agm002827803 | Cd2FGe | data_[Cd8Ge4F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
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 [5.6468]
_cell_length_b [5.6468]
_cell_length_c [12.5277]
_ce... |
mp-982188 | Fe4Mn8Y | data_[Y2Mn16Fe8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Mn 1.5500 1.4000 0.6483
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.3636]
_cell_length_b [8.3636]
_cell_length_c [4.7103]
_c... |
agm003538798 | Ni9PdTm2 | data_[Tm6Ni27Pd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ni 1.9100 1.3500 0.7400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.8939]
_cell_length_b [4.8939]
_cell_length_c [23.6673]
_... |
agm002863036 | GeMo2Na | data_[Na4Ge4Mo8]
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
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [4.6090]
_cell_length_b [4.6090]
_cell_length_c [18.6670]
_... |
oqmd-2136794 | FeNiPbV | data_[V4Fe4Ni4Pb4]
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
Ni 1.9100 1.3500 0.7400
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.0967]
_cell_length_b [6.09... |
agm004681787 | Hf3N8Sc3Ti | data_[Hf9Sc9Ti3N24]
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
Ti 1.5400 1.4000 0.8517
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.3192]
_cell_length_b [6.31... |
agm004481648 | Br6CoRb2Zn | data_[Rb4Zn2Co2Br12]
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
Co 1.8800 1.3500 0.7683
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [7.5876]
_cell_length_b [... |
agm005045637 | Al3DyNiZn | data_[Dy4Al12Zn4Ni4]
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
Zn 1.6500 1.3500 0.8800
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.9684]
_cell_length_b [12... |
agm004525387 | Al3Ba2CdIn4 | data_[Ba2Al3Cd1In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Al 1.6100 1.2500 0.6750
Cd 1.6900 1.5500 1.0900
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.8531]
_cell_length_b [4.... |
agm004032341 | Ca2RuSb | data_[Ca6Sb3Ru3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Sb 2.0500 1.4500 0.8300
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.6541]
_cell_length_b [4.6541]
_cell_length_c [16.8156]
_ce... |
agm004628128 | F6Li2Na3Ni | data_[Na6Li4Ni2F12]
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
Ni 1.9100 1.3500 0.7400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.3766]
_cell_length_b [9.76... |
agm003878680 | CuHgRu2 | data_[Cu2Hg2Ru4]
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
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [2.9549]
_cell_length_b [4.6323]
_cell_length_c [8.9804]
_ce... |
agm002843590 | AuKSb2 | data_[K4Sb8Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Sb 2.0500 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.2833]
_cell_length_b [5.2833]
_cell_length_c [19.5097]
_ce... |
agm001207271 | GdPbTm2 | data_[Gd1Tm2Pb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Tm 1.2500 1.7500 1.0950
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.8606]
_cell_length_b [4.8606]
_cell_length_c [4.7846]
_... |
agm001084386 | HIn2Sr4 | data_[Sr8In4H2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
In 1.7800 1.5500 0.9400
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.2805]
_cell_length_b [5.2805]
_cell_length_c [17.3081]
_c... |
agm004652472 | Er2La3P6Pa | data_[La6Er4Pa2P12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Er 1.2400 1.7500 1.0300
Pa 1.5000 1.8000 1.0400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0938]
_cell_length_b [12.2... |
agm005510914 | Sc2Te | data_[Sc8Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.9984]
_cell_length_b [4.7792]
_cell_length_c [9.4639]
_cell_angle_alpha [90.0000]
_cell_a... |
agm001323118 | CdKMgSn | data_[K4Mg4Cd4Sn4]
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
Cd 1.6900 1.5500 1.0900
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.6288]
_cell_length_b [7.62... |
agm003873891 | AuCrP2 | data_[Cr1P2Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
P 2.1900 1.0000 0.5500
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.2388]
_cell_length_b [3.2388]
_cell_length_c [5.7301]
_cell... |
agm001732303 | N2PtSTi | data_[Ti1Pt1S1N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Pt 2.2800 1.3500 0.8050
S 2.5800 1.0000 0.8800
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6912]
_cell_length_b [3.691... |
agm002703375 | MoReRh2 | data_[Re4Mo4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
Mo 2.1600 1.4500 0.7750
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2266]
_cell_length_b [6.2266]
_cell_length_c [6.2266]
_c... |
agm004658634 | Er6Pm3SmTm2 | data_[Pm6Sm2Er12Tm4]
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
Er 1.2400 1.7500 1.0300
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1508]
_cell_length_b [10... |
agm005133204 | GaIr5Si2Sm2 | data_[Sm4Ga2Si4Ir10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ga 1.8100 1.3000 0.7600
Si 1.9000 1.1000 0.5400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.7815]
_cell_length_b [... |
oqmd-4941787 | AuIrLiS2Se | data_[Li4Ir4Au4Se4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ir 2.2000 1.3500 0.7650
Au 2.5400 1.3500 1.0700
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_... |
agm2000125426 | HgSe2 | data_[Hg2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.8407]
_cell_length_b [3.6698]
_cell_length_c [15.6644]
_cell_angle_alpha [90.0000]
_cell... |
oqmd-3654157 | LuORbSe | data_[Rb2Lu2Se2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Lu 1.2700 1.7500 1.0010
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.4428]
_cell_length_b [8.4... |
oqmd-5896841 | Li2Se | data_[Li4Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pn-3m]
_cell_length_a [5.4216]
_cell_length_b [5.4216]
_cell_length_c [5.4216]
_cell_angle_alpha [90.0000]
_cell_... |
agm002805110 | C2HfMg | data_[Hf4Mg4C8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Mg 1.3100 1.5000 0.8600
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.7802]
_cell_length_b [5.7802]
_cell_length_c [6.4683]
_cel... |
agm005667697 | AcPmSb2 | data_[Ac2Pm2Sb4]
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
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.6168]
_cell_length_b [4.6168]
_cell_length_c [15.3246... |
agm004003482 | BeCl2Co | data_[Be4Co4Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Co 1.8800 1.3500 0.7683
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.3366]
_cell_length_b [6.3366]
_cell_length_c [6.3366]
_c... |
agm002737567 | CoPbSi2 | data_[Co4Si8Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5258]
_cell_length_b [6.5258]
_cell_length_c [6.5258]
_c... |
agm001273509 | NNdRh | data_[Nd1Rh1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Rh 2.2800 1.3500 0.7450
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.7831]
_cell_length_b [3.7831]
_cell_length_c [3.9640]
_cell... |
agm005248875 | Nd2NiO6Ru | data_[Nd4Ni2Ru2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ni 1.9100 1.3500 0.7400
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.4453]
_cell_length_b [5.... |
agm001412155 | HoPrTbTm | data_[Tb4Pr4Ho4Tm4]
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
Ho 1.2300 1.7500 1.0410
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.0502]
_cell_length_b [8.... |
agm001409027 | DySmThZr | data_[Sm4Dy4Th4Zr4]
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
Th 1.3000 1.8000 1.0800
Zr 1.3300 1.5500 0.8600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.7789]
_cell_length_b [7.... |
agm001670148 | BrF2NaV | data_[Na1V1Br1F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
V 1.6300 1.3500 0.7775
Br 2.9600 1.1500 0.8825
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1786]
_cell_length_b [4.178... |
agm002924081 | AsH2Na2 | data_[Na4As2H4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
As 2.1800 1.1500 0.6600
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0173]
_cell_length_b [4.0173]
_cell_length_c [9.5282]
_ce... |
agm001333691 | HoIrNiSn | data_[Ho4Ni4Sn4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.5894]
_cell_length_b [6.... |
agm005610311 | AcCu6Pr2 | data_[Ac1Pr2Cu6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Pr 1.1300 1.8500 1.0600
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [7.5080]
_cell_length_b [7.5080]
_cell_length_c [3.8928]
_... |
agm005749169 | Pm4TbTm | data_[Tb2Pm8Tm2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Pm 1.1300 1.8500 1.1100
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1233]
_cell_length_b [5.9864]
_cell_length_c [5.9928]
_c... |
agm006013289 | CeNd2Zn4 | data_[Ce2Nd4Zn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Nd 1.1400 1.8500 1.2765
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.3012]
_cell_length_b [5.3012]
_cell_length_c [12.7152]
... |
agm005676633 | Ge4Ho2Mo3 | data_[Ho4Ge8Mo6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Ge 2.0100 1.2500 0.7700
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.9832]
_cell_length_b [7.0462]
_cell_length_c [6.9020]
_... |
oqmd-2025345 | Cl2Cu2O6Se2Sr | data_[Sr2Cu4Se4Cl4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length... |
agm005033195 | LiSmSnTe3 | data_[Li2Sm2Sn2Te6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sm 1.1700 1.8500 1.2290
Sn 1.9600 1.4500 0.8300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.2412]
_cell_length_b [4... |
agm002316601 | Cr4Pr3Si4 | data_[Pr6Cr8Si8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Cr 1.6600 1.4000 0.9400
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2023]
_cell_length_b [4.2746]
_cell_length_c [24.8722]
_c... |
agm003516621 | HgHo8Tl2 | data_[Ho16Tl4Hg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Tl 1.6200 1.9000 1.3325
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8684]
_cell_length_b [5.1746]
_cell_length_c [7.0204]
_... |
agm001195189 | Ag2GdIn | data_[Gd1In1Ag2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
In 1.7800 1.5500 0.9400
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6312]
_cell_length_b [4.6312]
_cell_length_c [4.2824]
_... |
agm001590421 | H2HgLiZn | data_[Li1Zn1Hg1H2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Zn 1.6500 1.3500 0.8800
Hg 2.0000 1.5000 1.2450
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7966]
_cell_length_b [3.7... |
agm002514256 | LiSb3Ta | data_[Li1Ta1Sb3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ta 1.5000 1.4500 0.8200
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.8937]
_cell_length_b [4.8937]
_cell_length_c [4.8937]
_c... |
agm003858177 | K2MnSr | data_[K4Sr2Mn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Sr 0.9500 2.0000 1.3200
Mn 1.5500 1.4000 0.6483
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3360]
_cell_length_b [14.1157]
_cell_length_c [4.1254]
_cel... |
agm005911480 | Ac4HgPr | data_[Ac4Pr1Hg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Pr 1.1300 1.8500 1.0600
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9794]
_cell_length_b [3.9794]
_cell_length_c [15.0096]
... |
agm001947863 | S2TmZr | data_[Tm3Zr3S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Zr 1.3300 1.5500 0.8600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.7732]
_cell_length_b [3.7732]
_cell_length_c [18.4920]
_cel... |
agm003785977 | AlTe2W | data_[Al1Te2W1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Te 2.1000 1.4000 1.2933
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [2.9111]
_cell_length_b [4.3550]
_cell_length_c [7.3602]
_cell... |
agm001092798 | Ag2CeLi | data_[Li4Ce4Ag8]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1399]
_cell_length_b [7.1399]
_cell_length_c [7.1399]
_c... |
agm003944639 | Au2ClRh | data_[Rh2Au4Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rh 2.2800 1.3500 0.7450
Au 2.5400 1.3500 1.0700
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.3833]
_cell_length_b [9.2574]
_cell_length_c [2.8588]
_ce... |
agm005727719 | Cu6Ga2Pt | data_[Ga8Cu24Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.5983]
_cell_length_b [9.0380]
_cell_length_c [6.7738]
_c... |
agm003503381 | As2GeS6 | data_[Ge2As4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
As 2.1800 1.1500 0.6600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [5.8010]
_cell_length_b [5.8010]
_cell_length_c [11.1787]... |
agm005789672 | Pd3SrTm2 | data_[Sr1Tm2Pd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Tm 1.2500 1.7500 1.0950
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5108]
_cell_length_b [3.5108]
_cell_length_c [10.9238]
... |
agm005098743 | Ba6HNaPd | data_[Ba6Na1H1Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Na 0.9300 1.8000 1.1600
H 2.2000 0.2500 0.0000
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [8.1049]
_cell_length_b [8.104... |
agm004828983 | NdS4Sc2Tm | data_[Nd1Tm1Sc2S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Tm 1.2500 1.7500 1.0950
Sc 1.3600 1.6000 0.8850
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.6582]
_cell_length_b [3.785... |
agm005072954 | CdCsI6Np | data_[Cs2Np2Cd2I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Np 1.3600 1.7500 1.0000
Cd 1.6900 1.5500 1.0900
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [8.1016]
_cell_length_b [13.777... |
agm001949816 | AgLiSm2 | data_[Li3Sm6Ag3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sm 1.1700 1.8500 1.2290
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.4769]
_cell_length_b [3.4769]
_cell_length_c [31.2696]
_c... |
agm003890207 | BrHg2Tc | data_[Tc2Hg4Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
Hg 2.0000 1.5000 1.2450
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.0340]
_cell_length_b [4.4838]
_cell_length_c [13.7828]
_c... |
agm005090962 | BaI6NaPu | data_[Ba2Na2Pu2I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Na 0.9300 1.8000 1.1600
Pu 1.2800 1.7500 0.9675
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [8.0810]
_cell_length_b [8.0... |
agm002951375 | HfTe2Zn2 | data_[Hf2Zn4Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Zn 1.6500 1.3500 0.8800
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.5780]
_cell_length_b [3.5780]
_cell_length_c [19.0384]
... |
agm005851571 | Dy9Tm2Y | data_[Dy9Y1Tm2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Y 1.2200 1.8000 1.0400
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0017]
_cell_length_b [5.0017]
_cell_length_c [15.0038]
_c... |
agm004284400 | MgSeSr2 | data_[Sr4Mg2Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Mg 1.3100 1.5000 0.8600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.9256]
_cell_length_b [4.1809]
_cell_length_c [18.2364]
_c... |
oqmd-9784539 | Co2HoY | data_[Y2Ho2Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ho 1.2300 1.7500 1.0410
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.8489]
_cell_length_b [5.4809]
_cell_length_c [7.3342]
_ce... |
agm005625550 | Cu3In9Na2 | data_[Na8In36Cu12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.3920]
_cell_length_b [8.3423]
_cell_length_c [11.6778]... |
oqmd-5965326 | Ag2Ca2Cd | data_[Ca4Cd2Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Cd 1.6900 1.5500 1.0900
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.8799]
_cell_length_b [7.8799]
_cell_length_c [4.1379]
_... |
agm004761090 | AgAsK2O4 | data_[K4Ag2As2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ag 1.9300 1.6000 1.0867
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [6.2821]
_cell_length_b [6.2821]
... |
agm001311139 | EuRuSmZn | data_[Sm4Eu4Zn4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Eu 1.2000 1.8500 1.1985
Zn 1.6500 1.3500 0.8800
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1154]
_cell_length_b [7.... |
agm004804164 | Au4BaMg2Tb | data_[Ba3Tb3Mg6Au12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Tb 1.1000 1.7500 0.9815
Mg 1.3100 1.5000 0.8600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.7579]
_cell_length_b [4.... |
agm003717168 | ScTe3Th | data_[Th4Sc4Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Sc 1.3600 1.6000 0.8850
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3272]
_cell_length_b [21.8393]
_cell_length_c [7.5411]... |
agm001451183 | BeCaN2V | data_[Ca1Be1V1N2]
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
V 1.6300 1.3500 0.7775
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9224]
_cell_length_b [3.922... |
agm004995752 | AuMnRbS2 | data_[Rb2Mn2Au2S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Mn 1.5500 1.4000 0.6483
Au 2.5400 1.3500 1.0700
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [7.3802]
_cell_length_b [5.826... |
agm002639174 | B2LaPd | data_[La4B8Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
B 2.0400 0.8500 0.4100
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2343]
_cell_length_b [6.2343]
_cell_length_c [6.2343]
_cel... |
agm002686734 | Ba2InTe | data_[Ba8In4Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
In 1.7800 1.5500 0.9400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.5617]
_cell_length_b [8.5617]
_cell_length_c [8.5617]
_c... |
agm004858411 | CuPm4S2Se | data_[Pm8Cu2Se2S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [5.8171]
_cell_length_b [5.81... |
agm004903593 | DyMoO8Tl2 | data_[Dy2Tl4Mo2O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Tl 1.6200 1.9000 1.3325
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.1206]
_cell_length_b [7.29... |
agm003962904 | Al2BrSr | data_[Sr2Al4Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Al 1.6100 1.2500 0.6750
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.0565]
_cell_length_b [5.8206]
_cell_length_c [9.4053]
_ce... |
agm005955919 | DyNd6Pr3 | data_[Pr6Nd12Dy2]
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
Dy 1.2200 1.7500 1.1310
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.6662]
_cell_length_b [7.0841]
_cell_length_c [8.9688]
_... |
agm005188236 | RuTcTiV | data_[Ti1V1Tc1Ru1]
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
Tc 1.9000 1.3500 0.7417
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.0524]
_cell_length_b [3.052... |
agm005991861 | Bi4Cd2Ce | data_[Ce2Cd4Bi8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Cd 1.6900 1.5500 1.0900
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.9695]
_cell_length_b [9.9717]
_cell_length_c [4.7729]
_ce... |
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