Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm003864996 | Rh2TaZn | data_[Ta3Zn3Rh6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Zn 1.6500 1.3500 0.8800
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.8843]
_cell_length_b [2.8843]
_cell_length_c [25.5090]
_c... |
agm004859887 | Dy2PaSe4Tm | data_[Dy2Tm1Pa1Se4]
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
Pa 1.5000 1.8000 1.0400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.0150]
_cell_length_b [4.0... |
agm001103140 | AcAuCa3 | data_[Ca3Ac1Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ac 1.1000 1.9500 1.2600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.7939]
_cell_length_b [5.7939]
_cell_length_c [5.7939]
_c... |
agm005595079 | Ce2Ru4Sm3 | data_[Ce4Sm6Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Sm 1.1700 1.8500 1.2290
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9435]
_cell_length_b [4.2768]
_cell_length_c [9.0898]
_c... |
agm001019535 | TlTmY | data_[Y4Tm4Tl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Tm 1.2500 1.7500 1.0950
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [9.3633]
_cell_length_b [9.6062]
_cell_length_c [4.8757]
_cell... |
oqmd-6869460 | Ir2SiSn | data_[Si2Sn2Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Sn 1.9600 1.4500 0.8300
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [3.7758]
_cell_length_b [5.6729]
_cell_length_c [6.4102]
_ce... |
oqmd-7860026 | Dy2P | data_[Dy8P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6317]
_cell_length_b [6.6317]
_cell_length_c [6.6317]
_cell_angle_alpha [90.0000]
_cell_an... |
agm005610028 | Br9Cs3Fe2 | data_[Cs3Fe2Br9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Fe 1.8300 1.4000 0.8525
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.6872]
_cell_length_b [7.6872]
_cell_length_c [9.5320]
_c... |
agm005558602 | Al2Co3Ga2 | data_[Al6Ga6Co9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.0371]
_cell_length_b [4.0371]
_cell_length_c [19.4784]
_c... |
agm005660072 | La6Nd5Pm2 | data_[La12Pm4Nd10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pm 1.1300 1.8500 1.1100
Nd 1.1400 1.8500 1.2765
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [12.0289]
_cell_length_b [21.2780]
_cell_length_c [3.7031]... |
agm006076955 | Cd6HoSm3 | data_[Sm6Ho2Cd12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ho 1.2300 1.7500 1.0410
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.3311]
_cell_length_b [5.1871]
_cell_length_c [11.1276]... |
agm004505281 | Ba2NpO3Se3 | data_[Ba2Np1Se3O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Np 1.3600 1.7500 1.0000
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [9.0262]
_cell_length_b [9.02... |
agm001588781 | BaCo2FMn | data_[Ba1Mn1Co2F1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Mn 1.5500 1.4000 0.6483
Co 1.8800 1.3500 0.7683
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.8963]
_cell_length_b [5.8... |
agm005190078 | LaTbTcTh | data_[La3Tb3Th3Tc3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Tb 1.1000 1.7500 0.9815
Th 1.3000 1.8000 1.0800
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.6277]
_cell_length_b [4.62... |
oqmd-6838213 | GaPd4SnTb2 | data_[Tb2Ga1Sn1Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ga 1.8100 1.3000 0.7600
Sn 1.9600 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.5198]
_cell_length_b [4.... |
agm2000078319 | CuLi2Te2 | data_[Li2Cu1Te2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.4828]
_cell_length_b [7.3266]
_cell_length_c [16.7411]
_c... |
agm001207354 | CdGe2Tb | data_[Tb1Cd1Ge2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Cd 1.6900 1.5500 1.0900
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5274]
_cell_length_b [4.5274]
_cell_length_c [4.1227]
_... |
agm005980897 | Pr3Ru8Sm | data_[Pr9Sm3Ru24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Sm 1.1700 1.8500 1.2290
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.4299]
_cell_length_b [5.4299]
_cell_length_c [26.7328]
_c... |
agm005449044 | BrLiTl4 | data_[Li4Tl16Br4]
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
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [9.1939]
_cell_length_b [9.1939]
_cell_length_c [9.1939]
_... |
agm002217782 | Co4In6K | data_[K1In6Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
In 1.7800 1.5500 0.9400
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [7.6105]
_cell_length_b [7.6105]
_cell_length_c [4.4106]
_cel... |
agm004663692 | Ba3ErO6Pt2 | data_[Ba3Er1Pt2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Er 1.2400 1.7500 1.0300
Pt 2.2800 1.3500 0.8050
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.9798]
_cell_length_b [5.97... |
agm001828585 | Ac3Au | data_[Ac3Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.0706]
_cell_length_b [4.0764]
_cell_length_c [10.1135]
_cell_angle_alpha [90.0000]
_cell_... |
oqmd-5603026 | PTl6 | data_[Tl36P6]
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
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [15.7304]
_cell_length_b [15.7304]
_cell_length_c [6.7698]
_cell_angle_alpha [90.0000]
_cell_a... |
agm004827558 | Dy2LiS4Sc | data_[Li1Dy2Sc1S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Dy 1.2200 1.7500 1.1310
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 [6.5405]
_cell_length_b [3.817... |
agm004755217 | As2BeCdTl2 | data_[Be4Tl8Cd4As8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Tl 1.6200 1.9000 1.3325
Cd 1.6900 1.5500 1.0900
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [5.7895]
_cell_length_b [17.... |
agm004762011 | K2LiSe4V | data_[K16Li8V8Se32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Li 0.9800 1.4500 0.9000
V 1.6300 1.3500 0.7775
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [5.9342]
_cell_length_b [13.29... |
agm005598361 | K3O2Pd | data_[K12Pd4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Pd 2.2000 1.4000 0.8462
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [9.0586]
_cell_length_b [8.2704]
_cell_length_c [6.9949]
_cell_... |
oqmd-9368372 | Bi2DyS2Sm | data_[Sm1Dy1Bi2S2]
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
Bi 2.0200 1.6000 1.0350
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.2295]
_cell_length_b [4.229... |
agm002871088 | AgMo2O | data_[Ag4Mo8O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.7185]
_cell_length_b [5.7185]
_cell_length_c [11.7869]
_ce... |
agm006080026 | Ac3DyS4 | data_[Ac6Dy2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Dy 1.2200 1.7500 1.1310
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [7.3679]
_cell_length_b [8.3585]
_cell_length_c [7.2694]
_cell... |
agm001788667 | AsNbPdSe2 | data_[Nb1As1Pd1Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
As 2.1800 1.1500 0.6600
Pd 2.2000 1.4000 0.8462
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9808]
_cell_length_b [4... |
agm001074220 | Ba2O4Tl | data_[Ba4Tl2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Tl 1.6200 1.9000 1.3325
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.3896]
_cell_length_b [4.3896]
_cell_length_c [13.4267]
_c... |
agm001149328 | Ho2PdPu | data_[Ho2Pu1Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Pu 1.2800 1.7500 0.9675
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.4965]
_cell_length_b [3.4965]
_cell_length_c [8.3660]
_... |
agm005159885 | Ba2PbS5Th | data_[Ba8Th4Pb4S20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Th 1.3000 1.8000 1.0800
Pb 2.3300 1.8000 1.1225
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3366]
_cell_length_b [18... |
agm004263412 | Br2FeRh | data_[Fe1Rh1Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Rh 2.2800 1.3500 0.7450
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6261]
_cell_length_b [4.6261]
_cell_length_c [3.3097]
_... |
oqmd-2654460 | AsFeMoNb | data_[Nb4Fe4Mo4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Fe 1.8300 1.4000 0.8525
Mo 2.1600 1.4500 0.7750
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.1541]
_cell_length_b [6.... |
oqmd-6986345 | PaPdSc | data_[Sc4Pa4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Pa 1.5000 1.8000 1.0400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.5633]
_cell_length_b [6.5633]
_cell_length_c [6.5633]
_c... |
agm006072487 | Pt6TbTm5 | data_[Tb2Tm10Pt12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Tm 1.2500 1.7500 1.0950
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.8951]
_cell_length_b [6.9065]
_cell_length_c [14.6748]
... |
oqmd-3688858 | GdNOPd | data_[Gd2Pd2N2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Pd 2.2000 1.4000 0.8462
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [4.3089]
_cell_length_b [4.2097]... |
agm001237629 | CuErSb | data_[Er4Cu4Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Cu 1.9000 1.3500 0.8200
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.4340]
_cell_length_b [6.4340]
_cell_length_c [6.4340]
_c... |
agm005088542 | CaF6FeK | data_[K2Ca2Fe2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ca 1.0000 1.8000 1.1400
Fe 1.8300 1.4000 0.8525
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [5.6985]
_cell_length_b [5.698... |
agm005599622 | Cs2Se6Y3 | data_[Cs4Y6Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Y 1.2200 1.8000 1.0400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2134]
_cell_length_b [12.4950]
_cell_length_c [8.9609]
_ce... |
agm005096691 | Ac6CoRuSr | data_[Sr1Ac6Co1Ru1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ac 1.1000 1.9500 1.2600
Co 1.8800 1.3500 0.7683
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [7.2924]
_cell_length_b [7.2... |
oqmd-3327047 | Pd2RhTl | data_[Tl4Pd8Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Pd 2.2000 1.4000 0.8462
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.4340]
_cell_length_b [6.4340]
_cell_length_c [6.4340]
_c... |
agm005428277 | Au4WY | data_[Y4W4Au16]
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 [7.8147]
_cell_length_b [7.8147]
_cell_length_c [7.8147]
_cell... |
agm003996315 | BrReSc2 | data_[Sc4Re2Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Re 1.9000 1.3500 0.7125
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.5258]
_cell_length_b [5.2954]
_cell_length_c [8.4039]
_ce... |
agm004795043 | Au4CdNaSm2 | data_[Na3Sm6Cd3Au12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Sm 1.1700 1.8500 1.2290
Cd 1.6900 1.5500 1.0900
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.0515]
_cell_length_b [5.... |
agm001314911 | GdRuTcU | data_[Gd4U4Tc4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
U 1.3800 1.7500 0.9913
Tc 1.9000 1.3500 0.7417
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.8087]
_cell_length_b [6.80... |
agm004111427 | Mn2RhSe | data_[Mn8Rh4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Rh 2.2800 1.3500 0.7450
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.0303]
_cell_length_b [6.0303]
_cell_length_c [6.0303]
_c... |
agm005201502 | HoIRhTh | data_[Ho3Th3Rh3I3]
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
Rh 2.2800 1.3500 0.7450
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.1437]
_cell_length_b [4.1437... |
agm001315187 | FeNpPuRu | data_[Pu4Np4Fe4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Np 1.3600 1.7500 1.0000
Fe 1.8300 1.4000 0.8525
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.6892]
_cell_length_b [6.... |
agm002343466 | Mg2PU | data_[Mg4U2P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
U 1.3800 1.7500 0.9913
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8851]
_cell_length_b [3.8851]
_cell_length_c [12.5339]
_cel... |
agm001514466 | Ga2GeMgSi | data_[Mg1Ga2Si1Ge1]
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
Si 1.9000 1.1000 0.5400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0139]
_cell_length_b [5... |
agm003505796 | DyGa6Pa2 | data_[Dy2Pa4Ga12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Pa 1.5000 1.8000 1.0400
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4484]
_cell_length_b [6.9061]
_cell_length_c [13.0211]
_... |
agm002851324 | ClIr2Mg | data_[Mg4Ir8Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ir 2.2000 1.3500 0.7650
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [3.5683]
_cell_length_b [3.5683]
_cell_length_c [23.5616]
_... |
agm004392641 | Ag2BaSi | data_[Ba1Si1Ag2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Si 1.9000 1.1000 0.5400
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.4361]
_cell_length_b [4.8194]
_cell_length_c [5.4337]
_ce... |
agm005112457 | CuMg2Sc | data_[Mg6Sc3Cu3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Sc 1.3600 1.6000 0.8850
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.1534]
_cell_length_b [3.1534]
_cell_length_c [28.2951]
_ce... |
agm005286829 | CrGeNb | data_[Nb8Cr8Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Cr 1.6600 1.4000 0.9400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [7.8041]
_cell_length_b [5.0389]
_cell_length_c [9.0528]
_ce... |
agm004612725 | PmRb3Tb2Te6 | data_[Rb6Tb4Pm2Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Tb 1.1000 1.7500 0.9815
Pm 1.1300 1.8500 1.1100
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.9136]
_cell_length_b [13... |
agm002987593 | Cr2Li2Ta | data_[Li4Ta2Cr4]
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
Cr 1.6600 1.4000 0.9400
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.1335]
_cell_length_b [7.1335]
_cell_length_c [2.5984]
_... |
agm005966059 | CePu2Tc2 | data_[Ce2Pu4Tc4]
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
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.5104]
_cell_length_b [4.6524]
_cell_length_c [8.6884]
_... |
agm001715294 | I2LiSnTe | data_[Li1Sn1Te1I2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sn 1.9600 1.4500 0.8300
Te 2.1000 1.4000 1.2933
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.1092]
_cell_length_b [6.1... |
agm003147953 | IrLa3Sr | data_[Sr2La6Ir2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
La 1.1000 1.9500 1.1720
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.7160]
_cell_length_b [7.3511]
_cell_length_c [7.2793]
_... |
agm004190860 | KMnSe | data_[K1Mn1Se1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Mn 1.5500 1.4000 0.6483
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.3463]
_cell_length_b [4.3463]
_cell_length_c [5.2016]
_cel... |
agm004229682 | KLiMo2 | data_[K4Li4Mo8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Li 0.9800 1.4500 0.9000
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.6521]
_cell_length_b [6.6521]
_cell_length_c [6.6521]
_cel... |
agm2000106252 | As3Co3Mn | data_[Mn2Co6As6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Co 1.8800 1.3500 0.7683
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [3.5388]
_cell_length_b [21.2282]
_cell_length_c [6.7428]
... |
agm002578593 | InRe3Rh | data_[In1Re3Rh1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Re 1.9000 1.3500 0.7125
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.6982]
_cell_length_b [4.6982]
_cell_length_c [4.6982]
_c... |
oqmd-6153425 | Al7Cu2DyY2 | data_[Dy3Y6Al21Cu6]
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
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.4851]
_cell_length_b [5.48... |
agm005612272 | Cl3F6K2 | data_[K8Cl12F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Cl 3.1600 1.0000 0.7800
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.7309]
_cell_length_b [7.5083]
_cell_length_c [13.8195]
_ce... |
agm002169769 | AuIO2 | data_[Au4I4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Au 2.5400 1.3500 1.0700
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [4.7721]
_cell_length_b [21.7676]
_cell_length_c [3.8366]
_cell_... |
agm004981527 | ErHoLa6Nd2 | data_[La24Nd8Ho4Er4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Nd 1.1400 1.8500 1.2765
Ho 1.2300 1.7500 1.0410
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.8896]
_cell_length_b [15... |
agm004065330 | AsPTc2 | data_[Tc2As1P1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
As 2.1800 1.1500 0.6600
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.1753]
_cell_length_b [3.1753]
_cell_length_c [5.7304]
_cell... |
agm005534038 | Al4Y3 | data_[Y12Al16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1777]
_cell_length_b [11.1215]
_cell_length_c [14.2071]
_cell_angle_alpha [90.0000]
_cell... |
agm004664366 | Fe2O6PaRb3 | data_[Rb3Pa1Fe2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Pa 1.5000 1.8000 1.0400
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.2864]
_cell_length_b [6.28... |
agm005277850 | CaCrO2 | data_[Ca8Cr8O16]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.7783]
_cell_length_b [3.1099]
_cell_length_c [12.4020]
_c... |
agm002821716 | CrPbW2 | data_[Cr4Pb4W8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Pb 2.3300 1.8000 1.1225
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [3.8714]
_cell_length_b [3.8714]
_cell_length_c [20.1569]
_ce... |
agm003691115 | GaTl6Tm12 | data_[Tm36Tl18Ga3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Tl 1.6200 1.9000 1.3325
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [13.2702]
_cell_length_b [13.2702]
_cell_length_c [12.2452]... |
agm2000090748 | BrINi | data_[Ni1I1Br1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
I 2.6600 1.4000 1.2733
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.6736]
_cell_length_b [3.6736]
_cell_length_c [18.0284]
_cel... |
agm005143142 | In2PdRh2Sc5 | data_[Sc10In4Pd2Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
In 1.7800 1.5500 0.9400
Pd 2.2000 1.4000 0.8462
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [11.0355]
_cell_length_b ... |
agm001268429 | CCeRe | data_[Ce1Re1C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Re 1.9000 1.3500 0.7125
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.1664]
_cell_length_b [3.1664]
_cell_length_c [5.4991]
_cell... |
agm004534776 | Al3Au4Pr2Zn | data_[Pr2Al3Zn1Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Al 1.6100 1.2500 0.6750
Zn 1.6500 1.3500 0.8800
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.4662]
_cell_length_b [4.... |
agm004829449 | K2MgPuS4 | data_[K2Pu1Mg1S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Pu 1.2800 1.7500 0.9675
Mg 1.3100 1.5000 0.8600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.7779]
_cell_length_b [4.0271]... |
agm004704351 | Ba4Mo3O12Pr | data_[Ba8Pr2Mo6O24]
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
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [8.5109]
_cell_length_b [8.5... |
agm004780218 | KMnSm2Te4 | data_[K4Sm8Mn4Te16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Sm 1.1700 1.8500 1.2290
Mn 1.5500 1.4000 0.6483
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4455]
_cell_length_b [15.3... |
oqmd-9753709 | Rh15Te | data_[Te2Rh30]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [3.8323]
_cell_length_b [3.8322]
_cell_length_c [43.6066]
_cell_angle_alpha [90.0000]
_cell... |
agm004922740 | K2MoO6Se | data_[K8Mo4Se4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Mo 2.1600 1.4500 0.7750
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.0361]
_cell_length_b [8.036... |
agm001437996 | InOsPdZn2 | data_[Zn2In1Os1Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
In 1.7800 1.5500 0.9400
Os 2.2000 1.3000 0.6730
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.8697]
_cell_length_b [4... |
oqmd-5116738 | OPPdSi | data_[Si2P2Pd2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
P 2.1900 1.0000 0.5500
Pd 2.2000 1.4000 0.8462
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.7280]
_cell_length_b [3.728... |
agm005788774 | CaErNd5 | data_[Ca4Nd20Er4]
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
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [10.0125]
_cell_length_b [7.4660]
_cell_length_c [13.5257]
... |
agm006079294 | AcS6Sc4 | data_[Ac4Sc16S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Sc 1.3600 1.6000 0.8850
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8097]
_cell_length_b [12.2446]
_cell_length_c [19.2194]
_... |
agm005084245 | Br6CaLiY | data_[Li2Ca2Y2Br12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ca 1.0000 1.8000 1.1400
Y 1.2200 1.8000 1.0400
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [7.0514]
_cell_length_b [7.0... |
agm004819079 | N4SmThY2 | data_[Sm1Y2Th1N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Y 1.2200 1.8000 1.0400
Th 1.3000 1.8000 1.0800
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.1485]
_cell_length_b [3.5630]... |
agm004354132 | Be2YZr | data_[Y2Zr2Be4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Zr 1.3300 1.5500 0.8600
Be 1.5700 1.0500 0.5900
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.8709]
_cell_length_b [3.3662]
_cell_length_c [11.1765]
_cel... |
agm004795003 | Au4Cd2LiTm | data_[Li3Tm3Cd6Au12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Tm 1.2500 1.7500 1.0950
Cd 1.6900 1.5500 1.0900
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.7897]
_cell_length_b [4.... |
agm003346026 | Cd3Hg5Pr2 | data_[Pr8Cd12Hg20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [Ibam]
_cell_length_a [12.5709]
_cell_length_b [12.9038]
_cell_length_c [6.4234]... |
agm001370032 | AcBiMgZn | data_[Ac4Mg4Zn4Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Mg 1.3100 1.5000 0.8600
Zn 1.6500 1.3500 0.8800
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.7419]
_cell_length_b [7.... |
agm001952010 | FeGaZn2 | data_[Zn6Ga3Fe3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ga 1.8100 1.3000 0.7600
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.6958]
_cell_length_b [2.6958]
_cell_length_c [29.5785]
_c... |
agm001534127 | BiIr2KW | data_[K1Bi1Ir2W1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Bi 2.0200 1.6000 1.0350
Ir 2.2000 1.3500 0.7650
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9114]
_cell_length_b [4.911... |
oqmd-7870974 | BrPYb3 | data_[Yb3P1Br1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
P 2.1900 1.0000 0.5500
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.5555]
_cell_length_b [5.5555]
_cell_length_c [5.5555]
_cel... |
agm003629041 | BePm2Si | data_[Pm4Be2Si2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Be 1.5700 1.0500 0.5900
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.1302]
_cell_length_b [4.6599]
_cell_length_c [9.5360]
_ce... |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.