Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm003645577 | La4PmZn5 | data_[La4Pm1Zn5]
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
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7448]
_cell_length_b [3.7448]
_cell_length_c [18.6847]
... |
oqmd-9365207 | ErGd2Te3 | data_[Gd2Er1Te3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Er 1.2400 1.7500 1.0300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.3579]
_cell_length_b [4.3579]
_cell_length_c [10.7090]
_... |
agm004666815 | Ac3Ga2Pd6Sc | data_[Ac3Sc1Ga2Pd6]
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
Ga 1.8100 1.3000 0.7600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.0152]
_cell_length_b [6.... |
agm004115595 | Br2MgY | data_[Y2Mg2Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Mg 1.3100 1.5000 0.8600
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.4178]
_cell_length_b [3.6689]
_cell_length_c [7.4046]
_cell_... |
oqmd-2012673 | O3PrTl | data_[Pr4Tl4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Tl 1.6200 1.9000 1.3325
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.1491]
_cell_length_b [8.4330]
_cell_length_c [5.7745]
_cel... |
agm001094861 | Nd2SmTl | data_[Nd8Sm4Tl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Sm 1.1700 1.8500 1.2290
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.9452]
_cell_length_b [7.9452]
_cell_length_c [7.9452]
_c... |
agm2000096557 | Br3CrTe | data_[Cr2Te2Br6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Te 2.1000 1.4000 1.2933
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [19.6738]
_cell_length_b [7.9878]
_cell_length_c [7.2885]
... |
agm1000004030 | I2Sn | data_[Sn2I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [18.2525]
_cell_length_b [5.9549]
_cell_length_c [18.2525]
_cell_angle_alpha [90.0000]
_cell_ang... |
agm001397958 | FeNbOsTc | data_[Nb4Fe4Tc4Os4]
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
Tc 1.9000 1.3500 0.7417
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.2102]
_cell_length_b [6.... |
agm005652314 | Hg2InSn6 | data_[In1Sn6Hg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Sn 1.9600 1.4500 0.8300
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.5198]
_cell_length_b [6.0592]
_cell_length_c [7.8288]
_cel... |
agm002600852 | MoPdSi3 | data_[Si3Mo1Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Mo 2.1600 1.4500 0.7750
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.6804]
_cell_length_b [4.6804]
_cell_length_c [4.6804]
_c... |
agm004518422 | MgPr2Pt3Zn4 | data_[Pr2Mg1Zn4Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Mg 1.3100 1.5000 0.8600
Zn 1.6500 1.3500 0.8800
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.0524]
_cell_length_b [4.... |
agm004006243 | CrIn2Sb | data_[Cr1In2Sb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
In 1.7800 1.5500 0.9400
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.2795]
_cell_length_b [3.2795]
_cell_length_c [8.8725]
_ce... |
agm004363820 | AsCu2Mo | data_[Cu4Mo2As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Mo 2.1600 1.4500 0.7750
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.7407]
_cell_length_b [3.7407]
_cell_length_c [7.9640]
_c... |
agm004625189 | IrK2O6Tl3 | data_[K4Tl6Ir2O12]
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
Ir 2.2000 1.3500 0.7650
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3826]
_cell_length_b [11.455... |
agm004727803 | As4Dy8P3S | data_[Dy24As12P9S3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
As 2.1800 1.1500 0.6600
P 2.1900 1.0000 0.5500
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.1026]
_cell_length_b [8.102... |
agm004471562 | Br6Cs2PbPd | data_[Cs8Pd4Pb4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Pd 2.2000 1.4000 0.8462
Pb 2.3300 1.8000 1.1225
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.2458]
_cell_length_b [... |
agm002749182 | PdRu2V | data_[V4Pd4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Pd 2.2000 1.4000 0.8462
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.1091]
_cell_length_b [6.1091]
_cell_length_c [6.1091]
_cel... |
agm004386374 | ScSi2Tc | data_[Sc2Si4Tc2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Si 1.9000 1.1000 0.5400
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.0653]
_cell_length_b [3.1741]
_cell_length_c [5.1991]
_ce... |
agm005965668 | Ga2Pt2Sc | data_[Sc2Ga4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ga 1.8100 1.3000 0.7600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.9415]
_cell_length_b [4.4724]
_cell_length_c [8.3032]
_... |
agm005059331 | BBiCaO4 | data_[Ca4Bi4B4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Bi 2.0200 1.6000 1.0350
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.5845]
_cell_length_b [8.8817... |
agm003439856 | Hg2PbTh3 | data_[Th3Hg2Pb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Hg 2.0000 1.5000 1.2450
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.4873]
_cell_length_b [3.4873]
_cell_length_c [13.9397]
... |
agm003651647 | AcNd5Sm4 | data_[Ac2Nd10Sm8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Nd 1.1400 1.8500 1.2765
Sm 1.1700 1.8500 1.2290
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8981]
_cell_length_b [3.6499]
_cell_length_c [11.3512]
... |
agm002463754 | CuInIr3 | data_[In1Cu1Ir3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.5102]
_cell_length_b [4.5102]
_cell_length_c [4.5102]
_c... |
agm005028945 | Cl3GaLiTl | data_[Li4Tl4Ga4Cl12]
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
Ga 1.8100 1.3000 0.7600
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.9758]
_cell_length_b [14... |
agm003020711 | Au2HfSr2 | data_[Sr4Hf2Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Hf 1.3000 1.5500 0.8500
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.4149]
_cell_length_b [7.4149]
_cell_length_c [5.0827]
_... |
agm003754540 | NpSe4W | data_[Np4W4Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
W 2.3600 1.3500 0.7667
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [9.0575]
_cell_length_b [9.0575]
_cell_length_c [7.6967]
_c... |
agm004971908 | AgBr6I2Tl | data_[Tl1Ag1I2Br6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Ag 1.9300 1.6000 1.0867
I 2.6600 1.4000 1.2733
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.1418]
_cell_length_b [7.8325... |
oqmd-3107871 | CeHgYb | data_[Yb4Ce4Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Ce 1.1200 1.8500 1.0800
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1551]
_cell_length_b [7.1551]
_cell_length_c [7.1551]
_c... |
agm003712734 | PdTbZn3 | data_[Tb2Zn6Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Zn 1.6500 1.3500 0.8800
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.4885]
_cell_length_b [5.3988]
_cell_length_c [6.0223]
_... |
agm002765656 | F2OsTi | data_[Ti3Os3F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Os 2.2000 1.3000 0.6730
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.7195]
_cell_length_b [2.7195]
_cell_length_c [22.2630]
_cel... |
agm003338979 | Al2Cu4Th3 | data_[Th6Al4Cu8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9253]
_cell_length_b [4.3803]
_cell_length_c [8.4249]
_c... |
oqmd-2305602 | BCo2Zr | data_[Zr4Co8B4]
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
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.7930]
_cell_length_b [5.7930]
_cell_length_c [5.7930]
_cel... |
agm001784698 | MoRhSb2Te | data_[Sb2Te1Mo1Rh1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
Te 2.1000 1.4000 1.2933
Mo 2.1600 1.4500 0.7750
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.1705]
_cell_length_b [5... |
agm003634530 | Ce2InTm | data_[Ce4Tm2In2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Tm 1.2500 1.7500 1.0950
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.5336]
_cell_length_b [4.2857]
_cell_length_c [11.4635]
... |
agm002795949 | BRh2Ru | data_[B4Ru4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
B 2.0400 0.8500 0.4100
Ru 2.2000 1.3000 0.6610
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.0759]
_cell_length_b [5.0759]
_cell_length_c [10.1090]
_ce... |
agm005740072 | Dy6In2Nd | data_[Nd2Dy12In4]
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
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7383]
_cell_length_b [3.7686]
_cell_length_c [11.9595]
... |
agm004804906 | Ca2LiSrTl4 | data_[Sr3Li3Ca6Tl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Li 0.9800 1.4500 0.9000
Ca 1.0000 1.8000 1.1400
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.4601]
_cell_length_b [5.... |
agm1000015554 | Br3Eu | data_[Eu1Br3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-6]
_cell_length_a [17.1802]
_cell_length_b [17.1802]
_cell_length_c [3.9278]
_cell_angle_alpha [90.0000]
_cell_... |
oqmd-3312205 | GeHfNiZr | data_[Hf4Zr4Ni4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Zr 1.3300 1.5500 0.8600
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.5964]
_cell_length_b [6.... |
agm005837237 | Be3LaPd10 | data_[La8Be24Pd80]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Be 1.5700 1.0500 0.5900
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.9593]
_cell_length_b [11.9593]
_cell_length_c [11.959... |
agm003454943 | HgN2Zr4 | data_[Zr12Hg3N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Hg 2.0000 1.5000 1.2450
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.3271]
_cell_length_b [3.3271]
_cell_length_c [37.6752]
_ce... |
agm002509418 | BLiMo3 | data_[Li1B1Mo3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
B 2.0400 0.8500 0.4100
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.1010]
_cell_length_b [4.1010]
_cell_length_c [4.1010]
_cel... |
agm001450844 | ClCuNi2Os | data_[Cu1Ni2Os1Cl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Ni 1.9100 1.3500 0.7400
Os 2.2000 1.3000 0.6730
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5151]
_cell_length_b [4... |
agm002669781 | Cd2FNa | data_[Na4Cd8F4]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1532]
_cell_length_b [7.1532]
_cell_length_c [7.1532]
_cel... |
agm001789653 | AsCdSe2Tc | data_[Cd1Tc1As1Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Tc 1.9000 1.3500 0.7417
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 [5.0038]
_cell_length_b [5... |
agm004376051 | IrLiTl2 | data_[Li2Tl4Ir2]
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
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.1050]
_cell_length_b [4.6145]
_cell_length_c [12.1078]
_c... |
agm001219106 | LuPd2Tm | data_[Tm1Lu1Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Lu 1.2700 1.7500 1.0010
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9014]
_cell_length_b [4.9014]
_cell_length_c [3.4149]
_... |
oqmd-2310164 | BeNbSc2 | data_[Sc8Be4Nb4]
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
Nb 1.6000 1.4500 0.8200
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.5805]
_cell_length_b [6.5805]
_cell_length_c [6.5805]
_c... |
agm005690161 | ErRh2Th | data_[Er2Th2Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Th 1.3000 1.8000 1.0800
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.2557]
_cell_length_b [3.8309]
_cell_length_c [10.7433]
_c... |
agm006043662 | Au3Cd6Tl | data_[Tl2Cd12Au6]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.6800]
_cell_length_b [4.6665]
_cell_length_c [11.2869]... |
agm002654151 | AgAs2C | data_[Ag4As8C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
As 2.1800 1.1500 0.6600
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3740]
_cell_length_b [6.3740]
_cell_length_c [6.3740]
_cel... |
agm003765641 | BH6Li | data_[Li2B2H12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
B 2.0400 0.8500 0.4100
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.9453]
_cell_length_b [5.1956]
_cell_length_c [4.0919]
_cell_... |
agm003343713 | Pt5Si2U3 | data_[U12Si8Pt20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Si 1.9000 1.1000 0.5400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [11.6015]
_cell_length_b [11.8313]
_cell_length_c [5.6171]
_... |
agm002662672 | Co2PbRh | data_[Co8Rh4Pb4]
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
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.1857]
_cell_length_b [6.1857]
_cell_length_c [6.1857]
_c... |
oqmd-3629955 | CdHgIr | data_[Cd4Hg4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Hg 2.0000 1.5000 1.2450
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.3930]
_cell_length_b [6.3930]
_cell_length_c [6.3930]
_c... |
agm004808120 | LaMgPd4Tm2 | data_[La3Tm6Mg3Pd12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Tm 1.2500 1.7500 1.0950
Mg 1.3100 1.5000 0.8600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.7975]
_cell_length_b [4.... |
agm005482999 | BaMn2 | data_[Ba2Mn4]
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
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.4716]
_cell_length_b [5.4716]
_cell_length_c [6.3993]
_cell_angle_alpha [90.0000]
_ce... |
agm006029061 | Cs3KSe6 | data_[Cs18K6Se36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
K 0.8200 2.2000 1.5200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [14.2332]
_cell_length_b [14.2332]
_cell_length_c [13.1871]
... |
agm005815812 | Ac6GaTl2 | data_[Ac6Tl2Ga1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Tl 1.6200 1.9000 1.3325
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.9574]
_cell_length_b [8.9574]
_cell_length_c [4.8447]
_c... |
oqmd-3789612 | GaHoZn | data_[Ho4Zn4Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Zn 1.6500 1.3500 0.8800
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.6498]
_cell_length_b [6.6498]
_cell_length_c [6.6498]
_c... |
agm005452831 | LiP4Si | data_[Li4Si4P16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Si 1.9000 1.1000 0.5400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1990]
_cell_length_b [7.1990]
_cell_length_c [7.1990]
_ce... |
agm001358769 | ErNiPrRh | data_[Pr4Er4Ni4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Er 1.2400 1.7500 1.0300
Ni 1.9100 1.3500 0.7400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.9403]
_cell_length_b [6.... |
agm003077127 | AgHPd3 | data_[Ag6H6Pd18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
H 2.2000 0.2500 0.0000
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [4.8921]
_cell_length_b [4.8921]
_cell_length_c [20.8456]
_cel... |
agm005458340 | AuLa4Li | data_[Li4La16Au4]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [9.1611]
_cell_length_b [9.1611]
_cell_length_c [9.1611]
_... |
agm004628269 | LiNa2Se6Y3 | data_[Na4Li2Y6Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Li 0.9800 1.4500 0.9000
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 [7.1510]
_cell_length_b [12.3... |
agm004619881 | As6Ce2PuTh3 | data_[Ce4Pu2Th6As12]
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
Th 1.3000 1.8000 1.0800
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.4467]
_cell_length_b [4... |
agm003547635 | Ge3PmRu3 | data_[Pm6Ge18Ru18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Ge 2.0100 1.2500 0.7700
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.7431]
_cell_length_b [6.7431]
_cell_length_c [20.8901]
_... |
agm004815676 | PrSc2Se4Y | data_[Pr1Y1Sc2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Y 1.2200 1.8000 1.0400
Sc 1.3600 1.6000 0.8850
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.9473]
_cell_length_b [3.973... |
oqmd-9112431 | Ba2N4ReTi | data_[Ba2Ti1Re1N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ti 1.5400 1.4000 0.8517
Re 1.9000 1.3500 0.7125
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.9912]
_cell_length_b [3.991... |
agm004184511 | OsW2Zn | data_[Zn2Os2W4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Os 2.2000 1.3000 0.6730
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.1340]
_cell_length_b [4.3176]
_cell_length_c [8.9610]
_cell... |
oqmd-3396917 | ErGaRb | data_[Rb4Er4Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Er 1.2400 1.7500 1.0300
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.4017]
_cell_length_b [7.4017]
_cell_length_c [7.4017]
_c... |
agm001084681 | Mg2PtSr4 | data_[Sr8Mg4Pt2]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.8028]
_cell_length_b [5.8028]
_cell_length_c [17.8860]
... |
oqmd-6475239 | IrNdPdSi2 | data_[Nd2Si4Ir2Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Si 1.9000 1.1000 0.5400
Ir 2.2000 1.3500 0.7650
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.1479]
_cell_length_b [4.... |
agm004124184 | Ca2FeIn | data_[Ca4In2Fe2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
In 1.7800 1.5500 0.9400
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.6190]
_cell_length_b [4.1564]
_cell_length_c [11.6045]
_c... |
agm003354238 | Er3Sc2Y8 | data_[Y16Er6Sc4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Er 1.2400 1.7500 1.0300
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.6439]
_cell_length_b [19.5051]
_cell_length_c [5.5833]
_ce... |
agm005035151 | ErLiS3Sr | data_[Sr2Li2Er2S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Li 0.9800 1.4500 0.9000
Er 1.2400 1.7500 1.0300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.2956]
_cell_length_b [3.9... |
agm001841600 | PUV | data_[U2V2P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
V 1.6300 1.3500 0.7775
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.6195]
_cell_length_b [3.6195]
_cell_length_c [8.2838]
_cell_ang... |
agm002356886 | AgBaSi | data_[Ba3Si3Ag3]
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 [P-62m]
_cell_length_a [7.5036]
_cell_length_b [7.5036]
_cell_length_c [4.8819]
_c... |
agm003762557 | O6PW | data_[P2W2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
P 2.1900 1.0000 0.5500
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [4.5652]
_cell_length_b [9.6925]
_cell_length_c [4.5568]
_cell_an... |
agm004826627 | CuHfTe4Tl2 | data_[Hf1Tl2Cu1Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Tl 1.6200 1.9000 1.3325
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.5230]
_cell_length_b [4.0... |
agm004921105 | BaN8NaU4 | data_[Ba3Na3U12N24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Na 0.9300 1.8000 1.1600
U 1.3800 1.7500 0.9913
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.0133]
_cell_length_b [7.0133... |
agm001296019 | DyPaPtRu | data_[Dy4Pa4Ru4Pt4]
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
Ru 2.2000 1.3000 0.6610
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.9254]
_cell_length_b [6.... |
agm004986490 | Ca2O6SbTa | data_[Ca2Ta1Sb1O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ta 1.5000 1.4500 0.8200
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [5.6956]
_cell_length_b [5.695... |
oqmd-8713761 | NiO6ReV2 | data_[V8Re4Ni4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Re 1.9000 1.3500 0.7125
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6649]
_cell_length_b [7.664... |
agm002832192 | AuGaRh2 | data_[Ga4Rh8Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Rh 2.2800 1.3500 0.7450
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [3.7894]
_cell_length_b [3.7894]
_cell_length_c [18.6677]
_... |
agm004971790 | Bi2NbO6Pb | data_[Nb4Bi8Pb4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Bi 2.0200 1.6000 1.0350
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.4328]
_cell_length_b [10.... |
agm002438988 | Ca3RuTc | data_[Ca3Tc1Ru1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Tc 1.9000 1.3500 0.7417
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.3049]
_cell_length_b [5.3049]
_cell_length_c [5.3049]
_c... |
agm005139036 | Ca2Cu2LiZn5 | data_[Li2Ca4Zn10Cu4]
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
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.8438]
_cell_length_b [... |
agm003705418 | CdHg3Sn | data_[Cd4Sn4Hg12]
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
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.1783]
_cell_length_b [3.6502]
_cell_length_c [15.4334]
_... |
agm001676126 | As2CInSe | data_[In1As2C1Se1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
As 2.1800 1.1500 0.6600
C 2.5500 0.7000 0.3000
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.3711]
_cell_length_b [5.3... |
agm001995575 | CdLi2Ti | data_[Li6Ti3Cd3]
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
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.8485]
_cell_length_b [2.8485]
_cell_length_c [31.6639]
_c... |
agm004601003 | ScSm3Te6Y2 | data_[Sm6Y4Sc2Te12]
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
Sc 1.3600 1.6000 0.8850
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.1050]
_cell_length_b [4.3... |
oqmd-8925163 | Ba2N4ReTl | data_[Ba4Tl2Re2N8]
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
Re 1.9000 1.3500 0.7125
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.3030]
_cell_length_b [6.0... |
agm005669352 | Pa2Tc4Th3 | data_[Th6Pa4Tc8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Pa 1.5000 1.8000 1.0400
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1547]
_cell_length_b [4.3325]
_cell_length_c [8.9708]
_c... |
agm001191130 | Ac3Eu | data_[Ac3Eu1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Eu 1.2000 1.8500 1.1985
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.6046]
_cell_length_b [5.6046]
_cell_length_c [5.6046]
_cell_angle_alpha [90.0000]
_cell_... |
agm001350565 | AgIrScTm | data_[Tm4Sc4Ag4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Sc 1.3600 1.6000 0.8850
Ag 1.9300 1.6000 1.0867
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.7956]
_cell_length_b [6.... |
agm002652124 | AuC2Hf | data_[Hf4Au4C8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Au 2.5400 1.3500 1.0700
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.7955]
_cell_length_b [5.7955]
_cell_length_c [5.7955]
_cel... |
agm002750164 | HgTeY2 | data_[Y8Hg4Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Hg 2.0000 1.5000 1.2450
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5367]
_cell_length_b [7.5367]
_cell_length_c [7.5367]
_cel... |
agm003499228 | Ge2Se6Tc | data_[Tc4Ge8Se24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
Ge 2.0100 1.2500 0.7700
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.4254]
_cell_length_b [11.1572]
_cell_length_c [6.5155]
... |
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