Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm004357651 | LaPPb2 | data_[La2P2Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
P 2.1900 1.0000 0.5500
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.9497]
_cell_length_b [6.0608]
_cell_length_c [9.6072]
_cell... |
agm001928606 | La2OY | data_[La6Y3O3]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.6710]
_cell_length_b [3.6710]
_cell_length_c [28.5824]
_cell_... |
agm004364694 | AgBaRh2 | data_[Ba3Ag3Rh6]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.6218]
_cell_length_b [4.6218]
_cell_length_c [16.4660]
_c... |
agm001526488 | BrCdNbO2 | data_[Nb1Cd1Br1O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Cd 1.6900 1.5500 1.0900
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.2224]
_cell_length_b [4.2... |
agm003067962 | H3LiNi | data_[Li4Ni4H12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ni 1.9100 1.3500 0.7400
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1070]
_cell_length_b [2.6883]
_cell_length_c [5.5193]
_ce... |
agm003523206 | Br8In2Sm | data_[Sm2In4Br16]
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
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5282]
_cell_length_b [9.1401]
_cell_length_c [7.1717]
_... |
agm004450791 | TlZr | data_[Zr8Tl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [I-43m]
_cell_length_a [9.1782]
_cell_length_b [9.1782]
_cell_length_c [9.1782]
_cell_angle_alpha [90.0000]
_cell_... |
agm003463901 | Cl4LaLi2 | data_[Li8La4Cl16]
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
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.2954]
_cell_length_b [8.1703]
_cell_length_c [11.5222]
_... |
oqmd-6747567 | As3Mg2PSi2 | data_[Mg4Si4As6P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Si 1.9000 1.1000 0.5400
As 2.1800 1.1500 0.6600
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [12.1077]
_cell_length_b [5.9303... |
agm004556593 | Bi2Mg2SbSr2 | data_[Sr4Mg4Bi4Sb2]
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
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 [14.2035]
_cell_length_b [4.... |
agm005008613 | AgCd2InNa | data_[Na4Cd8In4Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Cd 1.6900 1.5500 1.0900
In 1.7800 1.5500 0.9400
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.8076]
_cell_length_b [10.... |
agm004939196 | K2S6TaU | data_[K2U1Ta1S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
U 1.3800 1.7500 0.9913
Ta 1.5000 1.4500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [7.0463]
_cell_length_b [7.0463]
_... |
agm005491835 | AlTl3 | data_[Al2Tl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Pm-3n]
_cell_length_a [6.0999]
_cell_length_b [6.0999]
_cell_length_c [6.0999]
_cell_angle_alpha [90.0000]
_cell_... |
agm005068046 | Cl5MnTlZn | data_[Mn4Tl4Zn4Cl20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Tl 1.6200 1.9000 1.3325
Zn 1.6500 1.3500 0.8800
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.8171]
_cell_length_b [11... |
oqmd-2009428 | AsLi4O6Ti | data_[Li8Ti2As2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ti 1.5400 1.4000 0.8517
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.0893]
_cell_length_b [8.7961... |
agm005203944 | AcCeSTe | data_[Ac2Ce2Te2S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Ce 1.1200 1.8500 1.0800
Te 2.1000 1.4000 1.2933
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.8979]
_cell_length_b [4.8... |
agm003445152 | CeGa2Pa4 | data_[Ce2Pa8Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Pa 1.5000 1.8000 1.0400
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0751]
_cell_length_b [4.0751]
_cell_length_c [20.8800]
... |
agm005972739 | MgNd2S4 | data_[Nd8Mg4S16]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pbca]
_cell_length_a [6.6909]
_cell_length_b [7.2913]
_cell_length_c [14.0559]
_ce... |
agm005048997 | BiCsSe4Ti | data_[Cs2Ti2Bi2Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ti 1.5400 1.4000 0.8517
Bi 2.0200 1.6000 1.0350
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.9223]
_cell_length_b [7... |
agm004245305 | In2MnTc | data_[Mn2In4Tc2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
In 1.7800 1.5500 0.9400
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.3497]
_cell_length_b [4.8549]
_cell_length_c [8.9273]
_ce... |
agm003437162 | Ac3CuZn2 | data_[Ac3Zn2Cu1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8850]
_cell_length_b [3.8850]
_cell_length_c [11.6095]
... |
agm004668232 | Ba3Ga2O8Sm | data_[Ba3Sm1Ga2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sm 1.1700 1.8500 1.2290
Ga 1.8100 1.3000 0.7600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.0787]
_cell_length_b [6.07... |
agm001575728 | HfInPSn2 | data_[Hf1In1Sn2P1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
In 1.7800 1.5500 0.9400
Sn 1.9600 1.4500 0.8300
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.5833]
_cell_length_b [5.5... |
agm005951301 | Hg8La2Sm | data_[La4Sm2Hg16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sm 1.1700 1.8500 1.2290
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.3074]
_cell_length_b [7.5340]
_cell_length_c [14.8829]
_... |
agm005057885 | AcBaPdS4 | data_[Ba4Ac4Pd4S16]
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
Pd 2.2000 1.4000 0.8462
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.7701]
_cell_length_b [15.1... |
oqmd-7279147 | CdIrSn2 | data_[Cd4Sn8Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
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 [6.9588]
_cell_length_b [6.9588]
_cell_length_c [6.9588]
_c... |
agm003382138 | Rh4Sm3Zn4 | data_[Sm6Zn8Rh8]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I-43m]
_cell_length_a [7.6066]
_cell_length_b [7.6066]
_cell_length_c [7.6066]
_c... |
agm003750956 | Er4PbPt | data_[Er16Pt4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Pt 2.2800 1.3500 0.8050
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.9997]
_cell_length_b [13.3885]
_cell_length_c [6.1697]
_... |
agm003554699 | Hg3K4Na | data_[K4Na1Hg3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Na 0.9300 1.8000 1.1600
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [5.0140]
_cell_length_b [5.2086]
_cell_length_c [13.1274]
_cel... |
oqmd-9842851 | AuNi3Si2Sr2 | data_[Sr2Si2Ni3Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.1179]
_cell_length_b [4.1... |
agm002770830 | KN2Rh | data_[K3Rh3N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Rh 2.2800 1.3500 0.7450
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.3133]
_cell_length_b [3.3133]
_cell_length_c [19.6844]
_cell_... |
agm005697488 | Ba3Cd7Sn4 | data_[Ba6Cd14Sn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Cd 1.6900 1.5500 1.0900
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3008]
_cell_length_b [5.0583]
_cell_length_c [10.8456]
... |
agm003354861 | Hg3Nd8Sn2 | data_[Nd16Sn4Hg6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Sn 1.9600 1.4500 0.8300
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [9.1586]
_cell_length_b [16.2513]
_cell_length_c [5.6493]
_... |
oqmd-3283750 | NbNiWZn | data_[Nb4Zn4Ni4W4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Zn 1.6500 1.3500 0.8800
Ni 1.9100 1.3500 0.7400
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.2289]
_cell_length_b [6.22... |
agm003029792 | As2Tc2Zn | data_[Zn2Tc4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Tc 1.9000 1.3500 0.7417
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.2009]
_cell_length_b [7.2009]
_cell_length_c [2.9958]
_... |
agm005978061 | DyHg3Pm4 | data_[Pm12Dy3Hg9]
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
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3760]
_cell_length_b [5.3760]
_cell_length_c [27.8608]
_... |
agm003819660 | Os2RhSr | data_[Sr2Os4Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Os 2.2000 1.3000 0.6730
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.0324]
_cell_length_b [2.8816]
_cell_length_c [6.0786]
_cell... |
oqmd-3000397 | InLiPt2 | data_[Li4In4Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
In 1.7800 1.5500 0.9400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3397]
_cell_length_b [6.3397]
_cell_length_c [6.3397]
_c... |
agm005448619 | AuCoRh4 | data_[Co4Rh16Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Rh 2.2800 1.3500 0.7450
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.2185]
_cell_length_b [7.2185]
_cell_length_c [7.2185]
_... |
agm002137963 | BMnO4 | data_[Mn2B2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [4.6233]
_cell_length_b [4.6233]
_cell_length_c [7.1143]
_cell_an... |
agm005838182 | NbPtTe4 | data_[Nb2Te8Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Te 2.1000 1.4000 1.2933
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [7.5603]
_cell_length_b [7.5603]
_cell_length_c [6.1757]
_c... |
agm005639697 | Ho2La5Y4 | data_[La10Y8Ho4]
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
Ho 1.2300 1.7500 1.0410
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.9182]
_cell_length_b [3.5728]
_cell_length_c [11.7894]
_c... |
agm001315219 | ErHgRuSm | data_[Sm4Er4Hg4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Er 1.2400 1.7500 1.0300
Hg 2.0000 1.5000 1.2450
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1561]
_cell_length_b [7.... |
agm005479516 | BaBeSb4 | data_[Ba4Be4Sb16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Be 1.5700 1.0500 0.5900
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [9.0324]
_cell_length_b [9.0324]
_cell_length_c [9.0324]
_... |
agm005714625 | Cl14In6V3 | data_[V3In6Cl14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
In 1.7800 1.5500 0.9400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P3]
_cell_length_a [11.5455]
_cell_length_b [11.5455]
_cell_length_c [6.3762]
_cel... |
agm004748916 | AlGa2Ru2Sm | data_[Sm1Al1Ga2Ru2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Al 1.6100 1.2500 0.6750
Ga 1.8100 1.3000 0.7600
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.4953]
_cell_length_b [4... |
agm005033491 | AgLiPuSe3 | data_[Li2Pu2Ag2Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Pu 1.2800 1.7500 0.9675
Ag 1.9300 1.6000 1.0867
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.3298]
_cell_length_b [3... |
agm001473870 | NTcTe2Ti | data_[Ti1Tc1Te2N1]
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
Te 2.1000 1.4000 1.2933
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9247]
_cell_length_b [4.9... |
agm003593194 | AcAg4Hg4 | data_[Ac2Ag8Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Ag 1.9300 1.6000 1.0867
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [9.0725]
_cell_length_b [9.0725]
_cell_length_c [5.3461]
_ce... |
agm003350406 | Sm7Tb3Y2 | data_[Tb3Sm7Y2]
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
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.8744]
_cell_length_b [3.6017]
_cell_length_c [18.9866]
_cel... |
agm002790465 | AlGe2Ru | data_[Al4Ge8Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Ge 2.0100 1.2500 0.7700
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.9861]
_cell_length_b [5.9861]
_cell_length_c [10.1859]
_... |
agm002840281 | HfPbRe2 | data_[Hf4Re8Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Re 1.9000 1.3500 0.7125
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [4.1136]
_cell_length_b [4.1136]
_cell_length_c [20.0305]
_... |
agm001105543 | AlDy3H | data_[Dy3Al1H1]
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
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.7647]
_cell_length_b [4.7647]
_cell_length_c [4.7647]
_cel... |
agm006063199 | BBr5Zr4 | data_[Zr8B2Br10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
B 2.0400 0.8500 0.4100
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.1798]
_cell_length_b [3.6477]
_cell_length_c [7.9247]
_ce... |
agm003727537 | AgBrF3 | data_[Ag2Br2F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Br 2.9600 1.1500 0.8825
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.7746]
_cell_length_b [6.4682]
_cell_length_c [6.7049]
_cell_a... |
agm004906044 | O8SrTcTm2 | data_[Sr1Tm2Tc1O8]
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
Tc 1.9000 1.3500 0.7417
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.7736]
_cell_length_b [7.065... |
agm003843610 | LiTaZn2 | data_[Li3Ta3Zn6]
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
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.7920]
_cell_length_b [2.7920]
_cell_length_c [28.6233]
_c... |
agm002560809 | HfMg3O | data_[Hf1Mg3O1]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.7242]
_cell_length_b [5.7242]
_cell_length_c [5.7242]
_cel... |
agm001933164 | OsPrSi2 | data_[Pr3Si6Os3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Si 1.9000 1.1000 0.5400
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.8236]
_cell_length_b [4.8236]
_cell_length_c [10.7638]
_c... |
agm001230195 | IrPt2V | data_[V1Ir1Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Ir 2.2000 1.3500 0.7650
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8591]
_cell_length_b [3.8591]
_cell_length_c [3.9485]
_ce... |
agm004561830 | PmPr4Sm2Tm2 | data_[Pm2Pr8Sm4Tm4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Pr 1.1300 1.8500 1.0600
Sm 1.1700 1.8500 1.2290
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.4615]
_cell_length_b [5.... |
oqmd-9093432 | Ca2OSb2SmSr | data_[Sr2Ca4Sm2Sb4O2]
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
Sm 1.1700 1.8500 1.2290
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_... |
agm001515433 | AuIr2OsPt | data_[Ir2Os1Pt1Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ir 2.2000 1.3500 0.7650
Os 2.2000 1.3000 0.6730
Pt 2.2800 1.3500 0.8050
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.8023]
_cell_length_b [4... |
oqmd-3681320 | SrWZr | data_[Sr4Zr4W4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Zr 1.3300 1.5500 0.8600
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.8669]
_cell_length_b [6.8669]
_cell_length_c [6.8669]
_cel... |
agm005946449 | Ho2Os9Th | data_[Ho6Th3Os27]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Th 1.3000 1.8000 1.0800
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3427]
_cell_length_b [5.3427]
_cell_length_c [26.1267]
_... |
agm004584037 | Na2NiSe6U2 | data_[Na4U4Ni2Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
U 1.3800 1.7500 0.9913
Ni 1.9100 1.3500 0.7400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8569]
_cell_length_b [11.9... |
agm001768769 | ClFeHS2 | data_[Fe1H1S2Cl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
H 2.2000 0.2500 0.0000
S 2.5800 1.0000 0.8800
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6234]
_cell_length_b [3.623... |
agm005055919 | AcCrHoN4 | data_[Ac2Ho2Cr2N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Ho 1.2300 1.7500 1.0410
Cr 1.6600 1.4000 0.9400
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.6207]
_cell_length_b [5.6... |
agm003975864 | Cl2MnSc | data_[Sc1Mn1Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Mn 1.5500 1.4000 0.6483
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.2636]
_cell_length_b [3.2636]
_cell_length_c [8.2300]
_ce... |
agm002930642 | As2LiTl2 | data_[Li2Tl4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Tl 1.6200 1.9000 1.3325
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.5191]
_cell_length_b [4.5191]
_cell_length_c [13.7262]
... |
agm004206124 | Fe2TaTe | data_[Ta4Fe8Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Fe 1.8300 1.4000 0.8525
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.3349]
_cell_length_b [6.3349]
_cell_length_c [6.3349]
_c... |
agm005870102 | Dy4Pm2Sc | data_[Pm6Dy12Sc3]
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
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.5619]
_cell_length_b [3.5619]
_cell_length_c [59.8147]
_... |
oqmd-2994174 | Ba2Cr3Pd2 | data_[Ba6Cr9Pd6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Cr 1.6600 1.4000 0.9400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.9286]
_cell_length_b [4.9286]
_cell_length_c [25.6631]
_ce... |
agm002486552 | H3OTc | data_[Tc1H3O1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.2415]
_cell_length_b [3.2415]
_cell_length_c [3.2415]
_cell_... |
agm003687099 | Ge6OsTi12 | data_[Ti36Ge18Os3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Ge 2.0100 1.2500 0.7700
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.4202]
_cell_length_b [12.4202]
_cell_length_c [6.8609]
... |
agm001505340 | AuCaH2Pd | data_[Ca1H2Pd1Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
H 2.2000 0.2500 0.0000
Pd 2.2000 1.4000 0.8462
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9261]
_cell_length_b [3.9... |
agm004531512 | Er2Ir3NiP4 | data_[Er2Ni1P4Ir3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ni 1.9100 1.3500 0.7400
P 2.1900 1.0000 0.5500
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.1186]
_cell_length_b [4.11... |
agm001676214 | As2CaCrSe | data_[Ca1Cr1As2Se1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Cr 1.6600 1.4000 0.9400
As 2.1800 1.1500 0.6600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5663]
_cell_length_b [4... |
agm003837733 | HgTe2Tl | data_[Tl2Hg2Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Hg 2.0000 1.5000 1.2450
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.0915]
_cell_length_b [3.4835]
_cell_length_c [6.5662]
_cel... |
agm006066296 | Dy8Nd4Sc | data_[Nd4Dy8Sc1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Dy 1.2200 1.7500 1.1310
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [7.7627]
_cell_length_b [7.7627]
_cell_length_c [7.7627]
_c... |
agm004271174 | IrLiSc2 | data_[Li2Sc4Ir2]
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
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.9267]
_cell_length_b [3.9267]
_cell_length_c [9.2360]
_c... |
agm003669957 | Nd7Pm4Th | data_[Pm4Nd7Th1]
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
Th 1.3000 1.8000 1.0800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.6602]
_cell_length_b [3.6602]
_cell_length_c [35.9992]
_... |
agm001273117 | AcMgSm | data_[Ac1Sm1Mg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Sm 1.1700 1.8500 1.2290
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.6874]
_cell_length_b [5.6874]
_cell_length_c [3.6755]
_ce... |
agm001357691 | DyNiScTc | data_[Dy4Sc4Tc4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Sc 1.3600 1.6000 0.8850
Tc 1.9000 1.3500 0.7417
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.5994]
_cell_length_b [6.... |
agm001917278 | CoIrNiZr | data_[Zr4Co4Ni4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Co 1.8800 1.3500 0.7683
Ni 1.9100 1.3500 0.7400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.1248]
_cell_length_b [6.... |
agm001673004 | As2BrFeHg | data_[Fe1Hg1As2Br1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
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 [4.5504]
_cell_length_b [4... |
agm001744687 | BeIO2Si | data_[Be1Si1I1O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Si 1.9000 1.1000 0.5400
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.4519]
_cell_length_b [3.451... |
agm003123467 | CsGaO2 | data_[Cs3Ga3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ga 1.8100 1.3000 0.7600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.4446]
_cell_length_b [3.4446]
_cell_length_c [22.5382]
_cell... |
agm004855214 | Ho4MgScY2 | data_[Y2Ho4Mg1Sc1]
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
Mg 1.3100 1.5000 0.8600
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9132]
_cell_length_b [4.9... |
agm001816703 | BiHfTm2 | data_[Tm2Hf1Bi1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Hf 1.3000 1.5500 0.8500
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9089]
_cell_length_b [3.9089]
_cell_length_c [7.0148]
_... |
agm003762713 | Br6CdCe | data_[Ce3Cd3Br18]
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
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.0129]
_cell_length_b [7.0129]
_cell_length_c [19.2482]
_c... |
agm004289903 | BaIrPb2 | data_[Ba4Ir4Pb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ir 2.2000 1.3500 0.7650
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.6433]
_cell_length_b [7.6433]
_cell_length_c [7.6433]
_c... |
agm001007637 | BiFeTi | data_[Ti4Fe4Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Fe 1.8300 1.4000 0.8525
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.2981]
_cell_length_b [3.2981]
_cell_length_c [23.0803]
... |
agm005207629 | CoHoNiPa | data_[Ho2Pa2Co2Ni2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Pa 1.5000 1.8000 1.0400
Co 1.8800 1.3500 0.7683
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.8101]
_cell_length_b [3.5... |
agm003733065 | NpSrTe3 | data_[Sr4Np4Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Np 1.3600 1.7500 1.0000
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.7121]
_cell_length_b [17.6329]
_cell_length_c [5.9113]
_... |
agm006015927 | O8RbU3 | data_[Rb1U3O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
U 1.3800 1.7500 0.9913
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [6.1351]
_cell_length_b [6.1351]
_cell_length_c [7.7458]
_cell_an... |
agm003775934 | MgO6Tc | data_[Mg4Tc4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Tc 1.9000 1.3500 0.7417
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.8505]
_cell_length_b [7.8505]
_cell_length_c [7.8505]
_ce... |
agm003243539 | CoFe2O24P6V3 | data_[V9Fe6Co3P18O72]
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
Co 1.8800 1.3500 0.7683
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8... |
agm003783376 | IrMn3 | data_[Mn3Ir1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [2.6386]
_cell_length_b [3.6338]
_cell_length_c [5.2035]
_cell_angle_alpha [90.0000]
_cell_a... |
agm004976147 | Ga2KO6Os | data_[K4Ga8Os4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ga 1.8100 1.3000 0.7600
Os 2.2000 1.3000 0.6730
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.3633]
_cell_length_b [10.983... |
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