Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
oqmd-9625871 | Te5Tl2 | data_[Tl4Te10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [8.2128]
_cell_length_b [8.2128]
_cell_length_c [7.5434]
_cell_angle_alpha [90.0000]
_cell_... |
agm003912544 | Ba2LaMo | data_[Ba2La1Mo1]
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
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9582]
_cell_length_b [4.9582]
_cell_length_c [5.8039]
_... |
agm004860793 | AcCaDy2S4 | data_[Ca1Ac1Dy2S4]
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
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 [7.0076]
_cell_length_b [4.008... |
agm001470726 | FeInN2P | data_[In1Fe1P1N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Fe 1.8300 1.4000 0.8525
P 2.1900 1.0000 0.5500
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9802]
_cell_length_b [3.980... |
agm002274127 | CsFePu | data_[Cs3Pu3Fe3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Pu 1.2800 1.7500 0.9675
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [9.4728]
_cell_length_b [9.4728]
_cell_length_c [3.3473]
_c... |
agm004356492 | BrKLi | data_[K1Li1Br1]
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
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.1647]
_cell_length_b [4.1647]
_cell_length_c [7.1444]
_cell... |
agm004888628 | Au2O8PaSm | data_[Sm2Pa2Au4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Pa 1.5000 1.8000 1.0400
Au 2.5400 1.3500 1.0700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [7.1728]
_cell_length_b [7.1... |
agm002570152 | Cl3PY | data_[Y1P1Cl3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
P 2.1900 1.0000 0.5500
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.3383]
_cell_length_b [5.3383]
_cell_length_c [5.3383]
_cell_... |
agm003542002 | Nd3Pd3Pm | data_[Pm4Nd12Pd12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Nd 1.1400 1.8500 1.2765
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.5664]
_cell_length_b [10.7457]
_cell_length_c [7.2726]
... |
agm004927292 | Cs2F6MnSn | data_[Cs2Mn1Sn1F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Mn 1.5500 1.4000 0.6483
Sn 1.9600 1.4500 0.8300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6314]
_cell_length_b [4.6... |
agm005617515 | Cs2Hg3Rb8 | data_[Cs4Rb16Hg6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Rb 0.8200 2.3500 1.6600
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [12.8140]
_cell_length_b [25.3249]
_cell_length_c [6.2648]
... |
agm004503087 | Ac2Al12Co3Li | data_[Li3Ac6Al36Co9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ac 1.1000 1.9500 1.2600
Al 1.6100 1.2500 0.6750
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.6715]
_cell_length_b [8.... |
agm004565430 | Br2Cl4Cs2Mo | data_[Cs4Mo2Br4Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Mo 2.1600 1.4500 0.7750
Br 2.9600 1.1500 0.8825
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [7.6679]
_cell_length_b [7... |
agm001914229 | AcGdInY | data_[Ac4Gd4Y4In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Gd 1.2000 1.8000 1.0750
Y 1.2200 1.8000 1.0400
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.0187]
_cell_length_b [8.01... |
agm001463017 | BeKRh2Sn | data_[K1Be1Sn1Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Be 1.5700 1.0500 0.5900
Sn 1.9600 1.4500 0.8300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.7631]
_cell_length_b [4.7... |
agm004330966 | AlBe2Sc | data_[Sc2Be4Al2]
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
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.7680]
_cell_length_b [3.1369]
_cell_length_c [9.5181]
_ce... |
agm005639072 | Ba2Pb3Tl4 | data_[Ba4Tl8Pb6]
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
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5773]
_cell_length_b [5.3683]
_cell_length_c [11.0182]
_... |
agm003939972 | LaMg2Zn | data_[La2Mg4Zn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Mg 1.3100 1.5000 0.8600
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.4822]
_cell_length_b [9.7808]
_cell_length_c [3.3374]
_ce... |
agm005810268 | Ag7CaF12 | data_[Ca2Ag14F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ag 1.9300 1.6000 1.0867
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [8.5403]
_cell_length_b [8.5403]
_cell_length_c [8.5403]
_ce... |
agm006018617 | Ce4Rh12Tl | data_[Ce8Tl2Rh24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Tl 1.6200 1.9000 1.3325
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [8.4824]
_cell_length_b [8.4824]
_cell_length_c [8.4824]
_... |
oqmd-8724002 | CuErEuS3 | data_[Eu4Er4Cu4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Er 1.2400 1.7500 1.0300
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.1721]
_cell_length_b [3.8... |
agm002409187 | BIr3Ta | data_[Ta1B1Ir3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
B 2.0400 0.8500 0.4100
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.7966]
_cell_length_b [4.7966]
_cell_length_c [4.7966]
_cel... |
agm004009890 | InSi2Te | data_[In1Si2Te1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Si 1.9000 1.1000 0.5400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.7572]
_cell_length_b [4.4526]
_cell_length_c [5.3927]
_ce... |
agm005983972 | Br8PtSr2 | data_[Sr4Pt2Br16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Pt 2.2800 1.3500 0.8050
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.0213]
_cell_length_b [6.7389]
_cell_length_c [7.3132]
_... |
agm003285825 | Ag2Al13 | data_[Al13Ag2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.9563]
_cell_length_b [6.3669]
_cell_length_c [8.6091]
_cell_angle_alpha [101.5839]
_cell_... |
agm004488416 | Au4Ca3Ga2In2 | data_[Ca3In2Ga2Au4]
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
Ga 1.8100 1.3000 0.7600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.6651]
_cell_length_b [4.... |
oqmd-8143708 | In2PdRh | data_[In8Pd4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [Cmcm]
_cell_length_a [3.4408]
_cell_length_b [10.5328]
_cell_length_c [7.6259]
_c... |
oqmd-4956738 | Au2CuV | data_[V4Cu4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Cu 1.9000 1.3500 0.8200
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.3433]
_cell_length_b [6.3433]
_cell_length_c [6.3433]
_cel... |
agm001661879 | BaCaGa2Ru | data_[Ba1Ca1Ga2Ru1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
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 [P4/mmm]
_cell_length_a [4.9872]
_cell_length_b [4... |
agm004520551 | CuSi3Sr2Zn4 | data_[Sr2Zn4Cu1Si3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.2218]
_cell_length_b [4.... |
agm001194108 | CsSr5 | data_[Cs2Sr10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Sr 0.9500 2.0000 1.3200
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.2098]
_cell_length_b [21.5740]
_cell_length_c [4.5765]
_cell_angle_alpha [90.0000]
_cell... |
agm003134338 | InRbSn | data_[Rb2In2Sn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
In 1.7800 1.5500 0.9400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.9021]
_cell_length_b [7.4951]
_cell_length_c [7.5877]
_cell... |
agm003597374 | K4S4Sb | data_[K8Sb2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Sb 2.0500 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [7.5131]
_cell_length_b [7.5131]
_cell_length_c [13.0627]
_cell... |
mp-1199210 | F4Li3MnO6P2 | data_[Li6Mn2P4O12F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mn 1.5500 1.4000 0.6483
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a... |
oqmd-5872792 | Ni2Sn2Tb | data_[Tb2Ni4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.3560]
_cell_length_b [4.3560]
_cell_length_c [10.2363]
... |
agm006053837 | Dy5SmY5 | data_[Sm1Dy5Y5]
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
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.8978]
_cell_length_b [6.9298]
_cell_length_c [8.3828]
_cell_... |
agm003998030 | ClCo2Ta | data_[Ta1Co2Cl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Co 1.8800 1.3500 0.7683
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.9282]
_cell_length_b [3.2869]
_cell_length_c [7.4135]
_ce... |
agm004543597 | Ba2Bi2Ca2I | data_[Ba4Ca4Bi4I2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ca 1.0000 1.8000 1.1400
Bi 2.0200 1.6000 1.0350
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.6833]
_cell_length_b [5.6... |
agm003392780 | Er2Sc2Tl | data_[Er8Sc8Tl4]
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
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7498]
_cell_length_b [9.7165]
_cell_length_c [8.1815]
_ce... |
agm004144892 | AuBa | data_[Ba2Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.6427]
_cell_length_b [4.6427]
_cell_length_c [9.2729]
_cell_angle_alpha [90.0000]
_cell_... |
agm002234687 | PdReTb2 | data_[Tb8Re4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Re 1.9000 1.3500 0.7125
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9512]
_cell_length_b [6.9512]
_cell_length_c [6.9512]
_c... |
agm003070317 | BeBiH | data_[Be4Bi4H4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Bi 2.0200 1.6000 1.0350
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [4.3723]
_cell_length_b [9.4607]
_cell_length_c [4.8457]
_cell... |
agm003605320 | AlLaY | data_[La3Y3Al3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Y 1.2200 1.8000 1.0400
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.6049]
_cell_length_b [3.6049]
_cell_length_c [23.7657]
_cell... |
oqmd-3266697 | NiPtZnZr | data_[Zr4Zn4Ni4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Zn 1.6500 1.3500 0.8800
Ni 1.9100 1.3500 0.7400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.3112]
_cell_length_b [6.... |
agm006124480 | AlAu5Pb4 | data_[Al2Pb8Au10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Pb 2.3300 1.8000 1.1225
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [9.6894]
_cell_length_b [9.6894]
_cell_length_c [5.0247]
_c... |
oqmd-5281680 | Ir2N3O | data_[Ir4N6O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ir 2.2000 1.3500 0.7650
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.1206]
_cell_length_b [6.3975]
_cell_length_c [6.4721]
_cell_a... |
agm001261462 | OsSiU | data_[U1Si1Os1]
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
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.3335]
_cell_length_b [4.3335]
_cell_length_c [3.2219]
_cel... |
agm004759749 | Cl3OScTl2 | data_[Sc2Tl4Cl6O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Tl 1.6200 1.9000 1.3325
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.9724]
_cell_length_b [5.295... |
agm004872116 | AgCd2GaO4 | data_[Cd4Ga2Ag2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Ga 1.8100 1.3000 0.7600
Ag 1.9300 1.6000 1.0867
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [5.2133]
_cell_length_b [5.21... |
oqmd-9001184 | CrKSe3Yb | data_[K4Yb4Cr4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Yb 1.1000 1.7500 1.0840
Cr 1.6600 1.4000 0.9400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2787]
_cell_length_b [14.5... |
oqmd-9129415 | AlO3Yb | data_[Yb4Al4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Al 1.6100 1.2500 0.6750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [2.9097]
_cell_length_b [9.5059]
_cell_length_c [7.0990]
_cel... |
oqmd-8924929 | HoMgRbS3 | data_[Rb2Ho2Mg2S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ho 1.2300 1.7500 1.0410
Mg 1.3100 1.5000 0.8600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.9344]
_cell_length_b [4.1... |
agm005454535 | CdCrTc4 | data_[Cr4Cd4Tc16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Cd 1.6900 1.5500 1.0900
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.2862]
_cell_length_b [7.2862]
_cell_length_c [7.2862]
_... |
oqmd-6518749 | CaCeOs2Si2 | data_[Ca1Ce1Si2Os2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ce 1.1200 1.8500 1.0800
Si 1.9000 1.1000 0.5400
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.2635]
_cell_length_b [4.2... |
agm005689646 | KOPd | data_[K4Pd4O4]
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 [5.3830]
_cell_length_b [10.2202]
_cell_length_c [5.2703]
_cell_... |
agm002485994 | BiGeY3 | data_[Y3Ge1Bi1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ge 2.0100 1.2500 0.7700
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.4123]
_cell_length_b [5.4123]
_cell_length_c [5.4123]
_cel... |
agm001931710 | CaHfPt2 | data_[Ca3Hf3Pt6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Hf 1.3000 1.5500 0.8500
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.9223]
_cell_length_b [3.9223]
_cell_length_c [20.4915]
_c... |
agm002009999 | AcPSr2 | data_[Sr6Ac3P3]
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
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.2355]
_cell_length_b [4.2355]
_cell_length_c [34.5016]
_cel... |
agm004402308 | Pt2ReTl | data_[Tl4Re4Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Re 1.9000 1.3500 0.7125
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.4977]
_cell_length_b [6.4977]
_cell_length_c [6.4977]
_c... |
agm001720615 | AuFN2Tc | data_[Tc1Au1N2F1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
Au 2.5400 1.3500 1.0700
N 3.0400 0.6500 0.6300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9904]
_cell_length_b [3.990... |
oqmd-3765320 | BiTiU | data_[U4Ti4Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Ti 1.5400 1.4000 0.8517
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1702]
_cell_length_b [7.1702]
_cell_length_c [7.1702]
_cel... |
agm001434195 | Ni2ReScSe | data_[Sc1Re1Ni2Se1]
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
Ni 1.9100 1.3500 0.7400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.4766]
_cell_length_b [4... |
agm2000073786 | As3Cs3Tl2 | data_[Cs3Tl2As3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Tl 1.6200 1.9000 1.3325
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.4949]
_cell_length_b [11.5223]
_cell_length_c [18.9035]
_ce... |
agm004049326 | BaNiRh | data_[Ba1Ni1Rh1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ni 1.9100 1.3500 0.7400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.1781]
_cell_length_b [4.1781]
_cell_length_c [4.8036]
_c... |
agm001501803 | AuSiTiW2 | data_[Ti1Si1W2Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Si 1.9000 1.1000 0.5400
W 2.3600 1.3500 0.7667
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5833]
_cell_length_b [4.5... |
agm004002452 | KSeZr2 | data_[K3Zr6Se3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Zr 1.3300 1.5500 0.8600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.7864]
_cell_length_b [3.7864]
_cell_length_c [29.1661]
_cel... |
agm004423181 | AsP2Te | data_[Te2As2P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
As 2.1800 1.1500 0.6600
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.4524]
_cell_length_b [3.5295]
_cell_length_c [4.6266]
_cell_... |
oqmd-9949214 | EuGa2PtRu | data_[Eu2Ga4Ru2Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Ga 1.8100 1.3000 0.7600
Ru 2.2000 1.3000 0.6610
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.3492]
_cell_length_b [4... |
agm004830529 | AcLaPm2S4 | data_[Ac1La1Pm2S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
La 1.1000 1.9500 1.1720
Pm 1.1300 1.8500 1.1100
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1632]
_cell_length_b [4.104... |
agm001286257 | CuErGeHo | data_[Ho4Er4Cu4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Er 1.2400 1.7500 1.0300
Cu 1.9000 1.3500 0.8200
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.9787]
_cell_length_b [6.... |
agm001255677 | La3Ni5S12 | data_[La24Ni40S96]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ni 1.9100 1.3500 0.7400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [14.7452]
_cell_length_b [14.7452]
_cell_length_c [14.7452... |
agm005495072 | Au3Si | data_[Si4Au12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.4562]
_cell_length_b [11.4138]
_cell_length_c [3.4056]
_cell_angle_alpha [90.0000]
_cell... |
agm005592932 | Er4La3Nd2 | data_[La6Nd4Er8]
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
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3833]
_cell_length_b [5.1548]
_cell_length_c [10.8943]
_... |
agm2000104420 | CuNbSe3 | data_[Nb2Cu2Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [6.9637]
_cell_length_b [19.9665]
_cell_length_c [6.6153]
_cel... |
agm003823701 | LiSiSr2 | data_[Sr4Li2Si2]
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
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.0313]
_cell_length_b [5.3242]
_cell_length_c [11.6537]
_c... |
agm001020690 | CdErTl | data_[Er3Tl3Cd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Tl 1.6200 1.9000 1.3325
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.4240]
_cell_length_b [3.4240]
_cell_length_c [25.1781]
_ce... |
agm004823468 | Ho2NaPmSe4 | data_[Na1Pm1Ho2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Pm 1.1300 1.8500 1.1100
Ho 1.2300 1.7500 1.0410
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1611]
_cell_length_b [4.0... |
oqmd-6801981 | EuLaOs2Si4 | data_[La1Eu1Si4Os2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Eu 1.2000 1.8500 1.1985
Si 1.9000 1.1000 0.5400
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.5535]
_cell_length_b [4.134... |
oqmd-3652506 | KOOsSe | data_[K2Os2Se2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Os 2.2000 1.3000 0.6730
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.1917]
_cell_length_b [7.106... |
agm004575584 | CsS6Se2Te2 | data_[Cs1Te2Se2S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Te 2.1000 1.4000 1.2933
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.1586]
_cell_length_b [7.5564... |
oqmd-9161614 | Cu3N3Nb4W2 | data_[Nb16Cu12W8N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Cu 1.9000 1.3500 0.8200
W 2.3600 1.3500 0.7667
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.2881]
_cell_length_b [5.26... |
agm004508961 | Ge3Ir4SnTb2 | data_[Tb2Sn1Ge3Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Sn 1.9600 1.4500 0.8300
Ge 2.0100 1.2500 0.7700
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.2326]
_cell_length_b [4.... |
oqmd-2248604 | BeInNiTi | data_[Ti4Be4In4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Be 1.5700 1.0500 0.5900
In 1.7800 1.5500 0.9400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.1219]
_cell_length_b [6.... |
agm002005654 | DyLiNa2 | data_[Na6Li3Dy3]
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
Dy 1.2200 1.7500 1.1310
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.3909]
_cell_length_b [3.3909]
_cell_length_c [37.0901]
_c... |
agm002825494 | CdFHf2 | data_[Hf8Cd4F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Cd 1.6900 1.5500 1.0900
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.2253]
_cell_length_b [5.2253]
_cell_length_c [13.1013]
_ce... |
agm003976278 | ClLaZn | data_[La2Zn2Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Zn 1.6500 1.3500 0.8800
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.6640]
_cell_length_b [3.6640]
_cell_length_c [13.9234]
_c... |
agm005441819 | Os4TaTc | data_[Ta4Tc4Os16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
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 [7.2319]
_cell_length_b [7.2319]
_cell_length_c [7.2319]
_... |
agm002317835 | InSiTi | data_[Ti2In2Si2]
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
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.1211]
_cell_length_b [4.1211]
_cell_length_c [6.5655]
_... |
agm006021989 | CePb6Te8 | data_[Ce1Te8Pb6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Te 2.1000 1.4000 1.2933
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [10.1849]
_cell_length_b [10.1849]
_cell_length_c [6.4743]
_c... |
agm003978665 | Co2CrMg | data_[Mg2Cr2Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Cr 1.6600 1.4000 0.9400
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.8568]
_cell_length_b [2.6058]
_cell_length_c [4.3956]
_cell... |
oqmd-7364648 | BErZn | data_[Er4Zn4B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Zn 1.6500 1.3500 0.8800
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.8256]
_cell_length_b [5.8256]
_cell_length_c [5.8256]
_cel... |
agm005954797 | Al4Cu2Pa | data_[Pa4Al16Cu8]
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
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [16.8014]
_cell_length_b [4.1793]
_cell_length_c [6.6909]
_... |
agm2000046845 | Fe4P3 | data_[Fe4P3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [4.2425]
_cell_length_b [4.2425]
_cell_length_c [18.7023]
_cell_angle_alpha [90.0000]
_cell_an... |
agm005173423 | Bi5PmTmY2 | data_[Pm1Y2Tm1Bi5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Y 1.2200 1.8000 1.0400
Tm 1.2500 1.7500 1.0950
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.3568]
_cell_length_b [5.3... |
agm002006354 | AsCa2Gd | data_[Ca6Gd3As3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Gd 1.2000 1.8000 1.0750
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.0949]
_cell_length_b [4.0949]
_cell_length_c [32.2722]
_c... |
agm004596750 | AuBr2Cs6H3 | data_[Cs12H6Au2Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
H 2.2000 0.2500 0.0000
Au 2.5400 1.3500 1.0700
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.4089]
_cell_length_b [4.8... |
agm005558428 | Ag2Au2Nd3 | data_[Nd6Ag4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ag 1.9300 1.6000 1.0867
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8700]
_cell_length_b [4.1364]
_cell_length_c [8.0115]
_c... |
agm002942501 | PtS2Ta2 | data_[Ta4Pt2S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Pt 2.2800 1.3500 0.8050
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9502]
_cell_length_b [3.9502]
_cell_length_c [11.3361]
_c... |
agm002685365 | C2HSi | data_[Si4H4C8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
H 2.2000 0.2500 0.0000
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [4.8791]
_cell_length_b [4.8791]
_cell_length_c [4.8791]
_cell_... |
agm004362578 | CrFe2Y | data_[Y1Cr1Fe2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Cr 1.6600 1.4000 0.9400
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.0802]
_cell_length_b [3.0802]
_cell_length_c [6.6347]
_cell... |
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