Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm004744767 | ErMgNi2P2 | data_[Er1Mg1Ni2P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Mg 1.3100 1.5000 0.8600
Ni 1.9100 1.3500 0.7400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.8389]
_cell_length_b [3.83... |
agm003515185 | Cd2Ho8Pm | data_[Pm2Ho16Cd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Ho 1.2300 1.7500 1.0410
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.7373]
_cell_length_b [15.0164]
_cell_length_c [5.5625]
_... |
agm002363549 | O4SmTa | data_[Sm3Ta3O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ta 1.5000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.7412]
_cell_length_b [3.7412]
_cell_length_c [17.7632]
_ce... |
agm2000049934 | Cr7N5 | data_[Cr7N5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P6mm]
_cell_length_a [7.0377]
_cell_length_b [7.0377]
_cell_length_c [16.7706]
_cell_angle_alpha [90.0000]
_cell_an... |
agm003356469 | Hg3Ho8Sb2 | data_[Ho16Hg6Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Hg 2.0000 1.5000 1.2450
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.7277]
_cell_length_b [8.3671]
_cell_length_c [6.2754]
_... |
agm004462959 | MoRh | data_[Mo8Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.6191]
_cell_length_b [4.4338]
_cell_length_c [5.5783]
_cell_angle_alpha [90.0000]
_cell_a... |
oqmd-8120380 | Ag4Pr3Si4 | data_[Pr6Si8Ag8]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4177]
_cell_length_b [7.0960]
_cell_length_c [14.6332]
_c... |
agm001590573 | HfIIn2O | data_[Hf1In2I1O1]
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
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 [6.0512]
_cell_length_b [6.051... |
agm001518591 | BiFMoSb2 | data_[Bi1Sb2Mo1F1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
Sb 2.0500 1.4500 0.8300
Mo 2.1600 1.4500 0.7750
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.8382]
_cell_length_b [5.8... |
oqmd-6455533 | Nb5NdSe2 | data_[Nd1Nb5Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Nb 1.6000 1.4500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.1987]
_cell_length_b [6.1987]
_cell_length_c [4.9331]
_... |
agm004323579 | InTc2W | data_[In2Tc4W2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Tc 1.9000 1.3500 0.7417
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.1385]
_cell_length_b [4.7404]
_cell_length_c [8.9679]
_cell... |
agm003350978 | Ho2Sc3Tb7 | data_[Tb14Ho4Sc6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ho 1.2300 1.7500 1.0410
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.6828]
_cell_length_b [36.6673]
_cell_length_c [3.5202]
_... |
agm001384053 | FeIrTaZr | data_[Zr4Ta4Fe4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ta 1.5000 1.4500 0.8200
Fe 1.8300 1.4000 0.8525
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.4142]
_cell_length_b [6.... |
agm002788954 | AlCoNi2 | data_[Al4Co4Ni8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Co 1.8800 1.3500 0.7683
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [3.4491]
_cell_length_b [3.4491]
_cell_length_c [16.8107]
_... |
agm003433761 | Hg3Sc2Zn | data_[Sc16Zn8Hg24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Zn 1.6500 1.3500 0.8800
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [6.4303]
_cell_length_b [9.4829]
_cell_length_c [16.3740]
... |
agm002462940 | AsCuLa3 | data_[La3Cu1As1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Cu 1.9000 1.3500 0.8200
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.7019]
_cell_length_b [5.7019]
_cell_length_c [5.7019]
_c... |
agm002330917 | Al2CSb | data_[Al4Sb2C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Sb 2.0500 1.4500 0.8300
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.2613]
_cell_length_b [3.2613]
_cell_length_c [13.1967]
... |
agm005139782 | AgHo5In2Ir2 | data_[Ho10In4Ag2Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
In 1.7800 1.5500 0.9400
Ag 1.9300 1.6000 1.0867
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [11.6983]
_cell_length_b ... |
agm002867063 | InMo2Nb | data_[Nb4In4Mo8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
In 1.7800 1.5500 0.9400
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [7.4333]
_cell_length_b [7.4333]
_cell_length_c [5.6060]
_c... |
oqmd-9700097 | FeLa5Pb3 | data_[La10Fe2Pb6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Fe 1.8300 1.4000 0.8525
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.7642]
_cell_length_b [9.7642]
_cell_length_c [6.8964... |
agm001506560 | BeCoLi2Rb | data_[Rb1Li2Be1Co1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Li 0.9800 1.4500 0.9000
Be 1.5700 1.0500 0.5900
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9679]
_cell_length_b [4... |
agm005938331 | I8Mn2Rh | data_[Mn4Rh2I16]
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
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.4672]
_cell_length_b [9.1417]
_cell_length_c [6.9377]
_ce... |
agm003357605 | Ac3B2O8 | data_[Ac9B6O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3017]
_cell_length_b [5.3017]
_cell_length_c [20.1789]
_cell... |
agm004827902 | LiS4Tm2U | data_[Li1Tm2U1S4]
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
U 1.3800 1.7500 0.9913
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.6701]
_cell_length_b [3.8174]... |
agm005724101 | La3Pb2Tl | data_[La6Tl2Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Tl 1.6200 1.9000 1.3325
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.2525]
_cell_length_b [15.7486]
_cell_length_c [4.5771]
_c... |
oqmd-5967349 | BaCsSb | data_[Cs4Ba4Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ba 0.8900 2.1500 1.4900
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.9233]
_cell_length_b [5.8719]
_cell_length_c [10.1760]
_c... |
agm2000062968 | ClRuS | data_[Ru2S2Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ru 2.2000 1.3000 0.6610
S 2.5800 1.0000 0.8800
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.6116]
_cell_length_b [4.6100]
_cell_length_c [19.9288]
_c... |
agm004176657 | CdCo2Re | data_[Cd1Co2Re1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Co 1.8800 1.3500 0.7683
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [2.7203]
_cell_length_b [2.7203]
_cell_length_c [7.6130]
_ce... |
oqmd-4534695 | AuIrLiSe3 | data_[Li4Ir4Au4Se12]
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
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6338]
_cell_length_b [13... |
agm005979330 | Cd4CeSc2 | data_[Ce1Sc2Cd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Sc 1.3600 1.6000 0.8850
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0654]
_cell_length_b [5.0654]
_cell_length_c [7.1650]
_... |
agm003640960 | Cd4Nd5Sn | data_[Nd5Cd4Sn1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Cd 1.6900 1.5500 1.0900
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8177]
_cell_length_b [3.8177]
_cell_length_c [19.7324]
... |
agm006085030 | CdHg5Tl6 | data_[Tl12Cd2Hg10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Cd 1.6900 1.5500 1.0900
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.0304]
_cell_length_b [16.0527]
_cell_length_c [8.5370]
... |
agm001407173 | AcAlPbPm | data_[Ac4Pm4Al4Pb4]
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
Al 1.6100 1.2500 0.6750
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.9156]
_cell_length_b [7.... |
agm002643620 | BeHfMg2 | data_[Hf4Mg8Be4]
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
Be 1.5700 1.0500 0.5900
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6513]
_cell_length_b [6.6513]
_cell_length_c [6.6513]
_c... |
agm005964313 | C3TbTh5 | data_[Tb4Th20C12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Th 1.3000 1.8000 1.0800
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4567]
_cell_length_b [8.8611]
_cell_length_c [9.5354]
_c... |
agm004628199 | CuNa2Se6Y3 | data_[Na4Y6Cu2Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Y 1.2200 1.8000 1.0400
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1287]
_cell_length_b [12.3... |
agm001188044 | PaReZn4 | data_[Pa4Zn16Re4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Zn 1.6500 1.3500 0.8800
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.3054]
_cell_length_b [7.3054]
_cell_length_c [7.3054]
_... |
agm005618135 | Bi3HgPd2 | data_[Hg2Bi6Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
Bi 2.0200 1.6000 1.0350
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.4110]
_cell_length_b [8.8329]
_cell_length_c [7.5453]
_... |
agm003775636 | NiRhZr6 | data_[Zr12Ni2Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ni 1.9100 1.3500 0.7400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.0261]
_cell_length_b [10.8985]
_cell_length_c [5.9625]
_... |
agm002570190 | CrPPt3 | data_[Cr1P1Pt3]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.5764]
_cell_length_b [4.5764]
_cell_length_c [4.5764]
_cel... |
agm001383455 | LiLuPmSm | data_[Li4Pm4Sm4Lu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Pm 1.1300 1.8500 1.1100
Sm 1.1700 1.8500 1.2290
Lu 1.2700 1.7500 1.0010
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.7989]
_cell_length_b [7.... |
agm001294345 | BeCoMnTi | data_[Ti4Mn4Be4Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Mn 1.5500 1.4000 0.6483
Be 1.5700 1.0500 0.5900
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.6690]
_cell_length_b [5.... |
agm004850953 | Dy2PrS4Sr | data_[Sr1Pr1Dy2S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Pr 1.1300 1.8500 1.0600
Dy 1.2200 1.7500 1.1310
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.9928]
_cell_length_b [4.001... |
agm004467550 | BSn | data_[Sn6B6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [10.8220]
_cell_length_b [3.8250]
_cell_length_c [5.3356]
_cell_angle_alpha [90.0000]
_cell_... |
agm004911217 | F8Na2TlU | data_[Na2U1Tl1F8]
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
Tl 1.6200 1.9000 1.3325
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.0701]
_cell_length_b [5.7503]... |
agm004362776 | CrK2Sc | data_[K2Sc1Cr1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Sc 1.3600 1.6000 0.8850
Cr 1.6600 1.4000 0.9400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.3800]
_cell_length_b [3.3800]
_cell_length_c [12.4114]
_c... |
agm2000079976 | Nb3P2Se3 | data_[Nb3P2Se3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
P 2.1900 1.0000 0.5500
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.2051]
_cell_length_b [10.2721]
_cell_length_c [18.8565]
_cell... |
agm006014717 | PuTb8Y6 | data_[Tb24Y18Pu3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Y 1.2200 1.8000 1.0400
Pu 1.2800 1.7500 0.9675
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.0345]
_cell_length_b [9.0345]
_cell_length_c [20.4441]
_ce... |
agm002809807 | AlCO2 | data_[Al4C4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [4.8385]
_cell_length_b [4.8385]
_cell_length_c [7.9577]
_cell_... |
agm2000107797 | DyP3Sb2 | data_[Dy2Sb4P6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Sb 2.0500 1.4500 0.8300
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Pmna]
_cell_length_a [5.7550]
_cell_length_b [21.1801]
_cell_length_c [5.4794]
_cel... |
agm002826769 | AuFOs2 | data_[Os8Au4F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Os 2.2000 1.3000 0.6730
Au 2.5400 1.3500 1.0700
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [3.8853]
_cell_length_b [3.8853]
_cell_length_c [17.4334]
_ce... |
oqmd-6792278 | Fe2PdRe | data_[Fe8Re4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Re 1.9000 1.3500 0.7125
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.1795]
_cell_length_b [5.3328]
_cell_length_c [9.3404]
_ce... |
agm002717266 | OPbTc2 | data_[Tc8Pb4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3214]
_cell_length_b [6.3214]
_cell_length_c [6.3214]
_cel... |
oqmd-3282478 | PaReRu | data_[Pa4Re4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Re 1.9000 1.3500 0.7125
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.2726]
_cell_length_b [6.2726]
_cell_length_c [6.2726]
_c... |
mp-754494 | BaBr5La | data_[Ba2La2Br10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
La 1.1000 1.9500 1.1720
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.3517]
_cell_length_b [4.6925]
_cell_length_c [13.8357]... |
agm004298672 | AsCa2W | data_[Ca4As2W2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
As 2.1800 1.1500 0.6600
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.5112]
_cell_length_b [2.9984]
_cell_length_c [6.4972]
_cell... |
agm003701975 | Sc7Tb12Y | data_[Tb36Y3Sc21]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Y 1.2200 1.8000 1.0400
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [14.6909]
_cell_length_b [14.6909]
_cell_length_c [9.5628]
_c... |
agm001491952 | CoRuTc2Y | data_[Y1Co1Tc2Ru1]
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
Tc 1.9000 1.3500 0.7417
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.4537]
_cell_length_b [4.4... |
agm005858025 | Er7PrSm2 | data_[Pr1Sm2Er7]
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
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.1400]
_cell_length_b [7.1093]
_cell_length_c [7.9213]
_cel... |
agm001190697 | Er3Sc | data_[Er3Sc1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.8731]
_cell_length_b [4.8731]
_cell_length_c [4.8731]
_cell_angle_alpha [90.0000]
_cell_... |
oqmd-6813549 | CdLi2Pd2ScSn2 | data_[Li2Sc1Cd1Sn2Pd2]
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
Cd 1.6900 1.5500 1.0900
Sn 1.9600 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_leng... |
agm004522216 | Ir3La2MnSi4 | data_[La2Mn1Si4Ir3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Mn 1.5500 1.4000 0.6483
Si 1.9000 1.1000 0.5400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.1999]
_cell_length_b [4.... |
agm2000130030 | CrTc6 | data_[Cr1Tc6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.6826]
_cell_length_b [15.0000]
_cell_length_c [6.6866]
_cell_angle_alpha [90.0000]
_cell_... |
agm2000037675 | AsBi | data_[Bi4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [17.7304]
_cell_length_b [7.1992]
_cell_length_c [7.4157]
_cell_angle_alpha [90.0000]
_cell_an... |
agm003861103 | ClCoFe | data_[Fe1Co1Cl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Co 1.8800 1.3500 0.7683
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.0705]
_cell_length_b [3.0705]
_cell_length_c [5.4890]
_ce... |
agm001603117 | AlBrFSb2 | data_[Al1Sb2Br1F1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Sb 2.0500 1.4500 0.8300
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 [5.2647]
_cell_length_b [5.2... |
agm002636385 | As2LaSb | data_[La4Sb4As8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sb 2.0500 1.4500 0.8300
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3657]
_cell_length_b [7.3657]
_cell_length_c [7.3657]
_c... |
agm003361351 | Dy5Er4Ho2 | data_[Dy10Ho4Er8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ho 1.2300 1.7500 1.0410
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.4637]
_cell_length_b [8.9202]
_cell_length_c [23.0027]
_... |
agm004677777 | Ac3As2Pd9Sn | data_[Ac3Sn1As2Pd9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Sn 1.9600 1.4500 0.8300
As 2.1800 1.1500 0.6600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.6050]
_cell_length_b [6.... |
agm004588045 | CrLi2N6Nb2 | data_[Li4Nb4Cr2N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Nb 1.6000 1.4500 0.8200
Cr 1.6600 1.4000 0.9400
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.2418]
_cell_length_b [9.04... |
agm004938708 | AuK2SnTl6 | data_[K12Tl36Sn6Au6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Tl 1.6200 1.9000 1.3325
Sn 1.9600 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.3686]
_cell_length_b [8.3... |
agm004247279 | IrMn2Ni | data_[Mn4Ni2Ir2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Ni 1.9100 1.3500 0.7400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.6931]
_cell_length_b [3.6931]
_cell_length_c [7.4139]
_c... |
agm001647591 | CoInNaZn2 | data_[Na1Zn2In1Co1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Zn 1.6500 1.3500 0.8800
In 1.7800 1.5500 0.9400
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6993]
_cell_length_b [4... |
agm001711514 | BiI2LiSb | data_[Li1Bi1Sb1I2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Bi 2.0200 1.6000 1.0350
Sb 2.0500 1.4500 0.8300
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.3460]
_cell_length_b [6.3... |
oqmd-3965960 | FePdSn2V2 | data_[V8Fe4Sn8Pd4]
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
Sn 1.9600 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.9931]
_cell_length_b [5.99... |
agm001973526 | AlNPa2 | data_[Pa6Al3N3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Al 1.6100 1.2500 0.6750
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.3119]
_cell_length_b [3.3119]
_cell_length_c [24.1625]
_cel... |
agm002882779 | S2TaZr | data_[Zr4Ta4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ta 1.5000 1.4500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [4.7230]
_cell_length_b [4.7230]
_cell_length_c [14.7313]
_ce... |
agm002985619 | Ba2K2V | data_[K4Ba4V2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ba 0.8900 2.1500 1.4900
V 1.6300 1.3500 0.7775
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.9034]
_cell_length_b [8.9034]
_cell_length_c [7.5760]
_cell... |
agm002790732 | AlCdV2 | data_[Al4V8Cd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
V 1.6300 1.3500 0.7775
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [7.1606]
_cell_length_b [7.1606]
_cell_length_c [5.2868]
_cel... |
agm002883517 | Br2FeS | data_[Fe4S4Br8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
S 2.5800 1.0000 0.8800
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [6.5601]
_cell_length_b [6.5601]
_cell_length_c [8.8430]
_cel... |
mp-1199979 | B12H12MgO6 | data_[Mg2B24H24O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
B 2.0400 0.8500 0.4100
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.1084]
_cell_length_b [10.9... |
agm005490697 | As3Pt5 | data_[As6Pt10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
As 2.1800 1.1500 0.6600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.9561]
_cell_length_b [8.9832]
_cell_length_c [4.2508]
_cell_angle_alpha [90.0000]
_cell_... |
agm001462155 | BeCPb2Sc | data_[Sc1Be1Pb2C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Be 1.5700 1.0500 0.5900
Pb 2.3300 1.8000 1.1225
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9861]
_cell_length_b [4.9... |
agm003407602 | Os2Pa2Sn | data_[Pa4Sn2Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Sn 1.9600 1.4500 0.8300
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.6718]
_cell_length_b [7.6718]
_cell_length_c [3.6076]
_... |
agm004490130 | H2Nd2Sn3Th4 | data_[Nd4Th8Sn6H4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Th 1.3000 1.8000 1.0800
Sn 1.9600 1.4500 0.8300
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.7474]
_cell_length_b [4.7... |
agm004144655 | Al2CdCl | data_[Al4Cd2Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Cd 1.6900 1.5500 1.0900
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.0949]
_cell_length_b [5.5436]
_cell_length_c [9.4437]
_ce... |
agm001342343 | AuBeCuPd | data_[Be4Cu4Pd4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Cu 1.9000 1.3500 0.8200
Pd 2.2000 1.4000 0.8462
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.9909]
_cell_length_b [5.... |
agm001669482 | FInSe2Ti | data_[Ti1In1Se2F1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
In 1.7800 1.5500 0.9400
Se 2.5500 1.1500 1.0133
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0836]
_cell_length_b [5.0... |
agm002375807 | Ag2Mg3Yb | data_[Yb1Mg3Ag2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Mg 1.3100 1.5000 0.8600
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.8774]
_cell_length_b [5.8774]
_cell_length_c [4.6067]
_... |
agm002349538 | CoP2Ru2 | data_[Co2P4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
P 2.1900 1.0000 0.5500
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0048]
_cell_length_b [4.0048]
_cell_length_c [8.8153]
_ce... |
agm001287579 | CaGePrZn | data_[Ca4Pr4Zn4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Pr 1.1300 1.8500 1.0600
Zn 1.6500 1.3500 0.8800
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.3500]
_cell_length_b [7.... |
agm004430111 | La2SbZr | data_[La4Zr2Sb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Zr 1.3300 1.5500 0.8600
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.6579]
_cell_length_b [4.7804]
_cell_length_c [10.2605]
_c... |
agm005637386 | Ca3Ga9Ru2 | data_[Ca6Ga18Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ga 1.8100 1.3000 0.7600
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2530]
_cell_length_b [9.6597]
_cell_length_c [12.6817]
_... |
agm004544139 | N2Pa2PdTe2 | data_[Pa2Te2Pd1N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Te 2.1000 1.4000 1.2933
Pd 2.2000 1.4000 0.8462
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.8686]
_cell_length_b [3.86... |
agm003426943 | Pb2Pd3Sr | data_[Sr4Pd12Pb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Pd 2.2000 1.4000 0.8462
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.0185]
_cell_length_b [4.8524]
_cell_length_c [7.9002]
_... |
agm005632164 | Ac2Er3Y8 | data_[Ac4Y16Er6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Y 1.2200 1.8000 1.0400
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2370]
_cell_length_b [11.7790]
_cell_length_c [6.2435]
_c... |
agm001446213 | BiLiPbTe2 | data_[Li1Bi1Te2Pb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Bi 2.0200 1.6000 1.0350
Te 2.1000 1.4000 1.2933
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.9869]
_cell_length_b [5... |
agm002344785 | MgSiTi | data_[Mg3Ti3Si3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ti 1.5400 1.4000 0.8517
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.9066]
_cell_length_b [6.9066]
_cell_length_c [3.6447]
_c... |
agm001994403 | Co2LuMn | data_[Lu3Mn3Co6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Mn 1.5500 1.4000 0.6483
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.0098]
_cell_length_b [4.0098]
_cell_length_c [13.6206]
_c... |
agm001928802 | OTeU2 | data_[U6Te3O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.7545]
_cell_length_b [3.7545]
_cell_length_c [20.5082]
_cell_... |
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