Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm004549989 | Bi2In2Na2Sn | data_[Na6In6Sn3Bi6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
In 1.7800 1.5500 0.9400
Sn 1.9600 1.4500 0.8300
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.4844]
_cell_length_b [5.4... |
agm005615064 | Sm2Tb9Tm3 | data_[Tb18Sm4Tm6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Sm 1.1700 1.8500 1.2290
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.5554]
_cell_length_b [10.2966]
_cell_length_c [16.2011]
... |
agm005932155 | GaHf4Rh | data_[Hf8Ga2Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ga 1.8100 1.3000 0.7600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I422]
_cell_length_a [6.6462]
_cell_length_b [6.6462]
_cell_length_c [5.2945]
_ce... |
agm004458062 | OsRe | data_[Re1Os1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.7426]
_cell_length_b [2.7426]
_cell_length_c [3.8964]
_cell_angle_alpha [90.0000]
_cell... |
agm001579853 | Cu2OsScTl | data_[Sc1Tl1Cu2Os1]
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
Cu 1.9000 1.3500 0.8200
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6578]
_cell_length_b [4... |
agm003167767 | AgLi2Rh | data_[Li4Ag2Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ag 1.9300 1.6000 1.0867
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.6422]
_cell_length_b [7.5836]
_cell_length_c [2.7172]
_ce... |
oqmd-8714441 | B3Sc4Sn | data_[Sc8Sn2B6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Sn 1.9600 1.4500 0.8300
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.3071]
_cell_length_b [3.3071]
_cell_length_c [28.7734]
... |
oqmd-8108226 | Cl3Sb | data_[Sb4Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8634]
_cell_length_b [11.9205]
_cell_length_c [6.7661]
_cell_angle_alpha [90.0000]
_cell... |
agm004563983 | K2Mn2NpS4 | data_[K4Np2Mn4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Np 1.3600 1.7500 1.0000
Mn 1.5500 1.4000 0.6483
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.7706]
_cell_length_b [4.0095... |
agm005979406 | Pm3Sm7Tm | data_[Pm12Sm28Tm4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Sm 1.1700 1.8500 1.2290
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [18.6629]
_cell_length_b [7.1409]
_cell_length_c [11.3472]... |
oqmd-4139434 | BO | data_[B1O1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [2.4580]
_cell_length_b [2.4580]
_cell_length_c [2.4660]
_cell_angle_alpha [90.0000]
_cell_angl... |
agm005403213 | Br3KNa3 | data_[K2Na6Br6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Na 0.9300 1.8000 1.1600
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pm-3n]
_cell_length_a [8.2356]
_cell_length_b [8.2356]
_cell_length_c [8.2356]
_cel... |
agm002602004 | Au3CaSi | data_[Ca1Si1Au3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Si 1.9000 1.1000 0.5400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.3032]
_cell_length_b [5.3032]
_cell_length_c [5.3032]
_c... |
agm001461423 | NaNb2ZnZr | data_[Na1Zr1Nb2Zn1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Zr 1.3300 1.5500 0.8600
Nb 1.6000 1.4500 0.8200
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9645]
_cell_length_b [4... |
agm001574040 | FeKNaPd2 | data_[K1Na1Fe1Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Na 0.9300 1.8000 1.1600
Fe 1.8300 1.4000 0.8525
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9974]
_cell_length_b [4.9... |
agm003302520 | Ac2Ir2Zn15 | data_[Ac6Zn45Ir6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Zn 1.6500 1.3500 0.8800
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.1990]
_cell_length_b [9.1990]
_cell_length_c [13.5068]
_... |
agm001988616 | Ce2OsU | data_[Ce6U3Os3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
U 1.3800 1.7500 0.9913
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.6113]
_cell_length_b [4.6113]
_cell_length_c [13.8061]
_cel... |
agm004216625 | ReTcTe2 | data_[Re4Tc4Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
Tc 1.9000 1.3500 0.7417
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.7695]
_cell_length_b [6.7695]
_cell_length_c [6.7695]
_c... |
agm004641880 | Bi2ErNa3S6 | data_[Na6Er2Bi4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Er 1.2400 1.7500 1.0300
Bi 2.0200 1.6000 1.0350
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9958]
_cell_length_b [12.1... |
agm006121034 | ErLa12Nd6 | data_[La36Nd18Er3]
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 [R-3m]
_cell_length_a [15.4575]
_cell_length_b [15.4575]
_cell_length_c [9.9918]... |
oqmd-5268218 | IrOPPa | data_[Pa2P2Ir2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
P 2.1900 1.0000 0.5500
Ir 2.2000 1.3500 0.7650
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.6328]
_cell_length_b [7.167... |
agm003977482 | Ca2MoPt | data_[Ca4Mo2Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Mo 2.1600 1.4500 0.7750
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.4357]
_cell_length_b [8.9212]
_cell_length_c [2.9249]
_ce... |
agm002742134 | Cd2MoSr | data_[Sr4Cd8Mo4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cd 1.6900 1.5500 1.0900
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3525]
_cell_length_b [7.3525]
_cell_length_c [7.3525]
_c... |
agm006133139 | PmSc4Se5 | data_[Pm2Sc8Se10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Sc 1.3600 1.6000 0.8850
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.9138]
_cell_length_b [5.6042]
_cell_length_c [19.8285]
_... |
agm2000006068 | IrN2 | data_[Ir2N4]
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
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [5.3369]
_cell_length_b [17.2772]
_cell_length_c [4.1867]
_cell_angle_alpha [90.0000]
_cell_an... |
agm002700314 | CdCoMn2 | data_[Mn8Cd4Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Cd 1.6900 1.5500 1.0900
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.9543]
_cell_length_b [5.9543]
_cell_length_c [5.9543]
_c... |
agm004785317 | Ag2CdGeSe4 | data_[Cd2Ag4Ge2Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Ag 1.9300 1.6000 1.0867
Ge 2.0100 1.2500 0.7700
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [5.9681]
_cell_length_b [5.... |
agm2000138665 | CaCoI4 | data_[Ca2Co2I8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Co 1.8800 1.3500 0.7683
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [14.8740]
_cell_length_b [4.2572]
_cell_length_c [18.6964]
_... |
agm003059176 | BaCoRe | data_[Ba2Co2Re2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Co 1.8800 1.3500 0.7683
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.0841]
_cell_length_b [4.8606]
_cell_length_c [9.3835]
_ce... |
agm005428985 | As2La | data_[La4As8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2045]
_cell_length_b [4.0577]
_cell_length_c [8.8250]
_cell_angle_alpha [90.0000]
_cell_... |
agm001812555 | AgBa2Gd | data_[Ba2Gd1Ag1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Gd 1.2000 1.8000 1.0750
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0392]
_cell_length_b [4.0392]
_cell_length_c [9.9009]
_... |
mp-2714032 | Ge4Na10O48S3Si9Sn4 | data_[Na30Si27Sn12Ge12S9O144]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Si 1.9000 1.1000 0.5400
Sn 1.9600 1.4500 0.8300
Ge 2.0100 1.2500 0.7700
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space... |
agm005168243 | ErGe2NdPt5 | data_[Nd1Er1Ge2Pt5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Er 1.2400 1.7500 1.0300
Ge 2.0100 1.2500 0.7700
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3152]
_cell_length_b [4... |
agm004778875 | C2Er4HP | data_[Er16P4H4C8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
P 2.1900 1.0000 0.5500
H 2.2000 0.2500 0.0000
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6847]
_cell_length_b [11.9490]... |
agm005876732 | Cl5CsSn2 | data_[Cs2Sn4Cl10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Sn 1.9600 1.4500 0.8300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.5610]
_cell_length_b [5.5610]
_cell_length_c [17.5646]... |
agm002607323 | AgSn3Sr | data_[Sr1Ag1Sn3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ag 1.9300 1.6000 1.0867
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.4540]
_cell_length_b [5.4540]
_cell_length_c [5.4540]
_c... |
oqmd-4867731 | HfPdS3Tl | data_[Hf4Tl4Pd4S12]
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
Pd 2.2000 1.4000 0.8462
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.7132]
_cell_length_b [13.5... |
agm005559463 | Ac2Sr3Tl2 | data_[Sr9Ac6Tl6]
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
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.9450]
_cell_length_b [5.9450]
_cell_length_c [27.4603]
_c... |
agm005908826 | Mg2PbPd8 | data_[Mg4Pd16Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Pd 2.2000 1.4000 0.8462
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.3688]
_cell_length_b [6.5872]
_cell_length_c [12.8645]
_... |
agm003668358 | Hg4TlTm7 | data_[Tm14Tl2Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Tl 1.6200 1.9000 1.3325
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.7478]
_cell_length_b [5.7306]
_cell_length_c [9.4171]
_... |
agm004141993 | Cr2NiPt | data_[Cr2Ni1Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Ni 1.9100 1.3500 0.7400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.3602]
_cell_length_b [2.8091]
_cell_length_c [4.4817]
_ce... |
oqmd-6441401 | P2Pa3Te | data_[Pa3Te1P2]
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
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [6.6538]
_cell_length_b [6.6538]
_cell_length_c [3.9671]
_ce... |
agm002669985 | Bi2FV | data_[V4Bi8F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Bi 2.0200 1.6000 1.0350
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9880]
_cell_length_b [6.9880]
_cell_length_c [6.9880]
_cell_... |
oqmd-9629322 | CCaNi2Si2Yb | data_[Ca2Yb2Si4Ni4C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Yb 1.1000 1.7500 1.0840
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a ... |
agm001004206 | CPbTi | data_[Ti4Pb4C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Pb 2.3300 1.8000 1.1225
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.9406]
_cell_length_b [3.2818]
_cell_length_c [8.8141]
_cell... |
agm004750842 | HgKNa2Rb2 | data_[K4Rb8Na8Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Rb 0.8200 2.3500 1.6600
Na 0.9300 1.8000 1.1600
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [11.0061]
_cell_length_b [15.2... |
agm005772277 | H2Hg6K | data_[K4Hg24H8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Hg 2.0000 1.5000 1.2450
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.6129]
_cell_length_b [11.6871]
_cell_length_c [11.5830]
_cel... |
agm004911547 | F8Hg2OsTl | data_[Tl1Hg2Os1F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Hg 2.0000 1.5000 1.2450
Os 2.2000 1.3000 0.6730
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.7113]
_cell_length_b [7.915... |
agm003248645 | Fe13LiO24Zn4 | data_[Li2Zn8Fe26O48]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Zn 1.6500 1.3500 0.8800
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.4421]
_cell_length_b [6.04... |
agm001777308 | CdNaPS2 | data_[Na1Cd1P1S2]
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
P 2.1900 1.0000 0.5500
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9209]
_cell_length_b [4.920... |
agm004661059 | Dy3HoPm6Tb2 | data_[Tb4Pm12Dy6Ho2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Pm 1.1300 1.8500 1.1100
Dy 1.2200 1.7500 1.1310
Ho 1.2300 1.7500 1.0410
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2425]
_cell_length_b [10... |
agm001147085 | Eu2InTl | data_[Eu2Tl1In1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Tl 1.6200 1.9000 1.3325
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9648]
_cell_length_b [3.9648]
_cell_length_c [7.9520]
_... |
agm2000047089 | Mo5P9 | data_[Mo5P9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [6.2792]
_cell_length_b [6.2792]
_cell_length_c [19.7405]
_cell_angle_alpha [90.0000]
_cell_an... |
agm003313817 | Os2Sn2Th5 | data_[Th20Sn8Os8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Sn 1.9600 1.4500 0.8300
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [17.0237]
_cell_length_b [9.3503]
_cell_length_c [6.4407]
_... |
agm001293791 | InMgScTi | data_[Mg4Sc4Ti4In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Sc 1.3600 1.6000 0.8850
Ti 1.5400 1.4000 0.8517
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.9005]
_cell_length_b [6.... |
agm001783760 | FNaSb2Te | data_[Na1Sb2Te1F1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Sb 2.0500 1.4500 0.8300
Te 2.1000 1.4000 1.2933
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.8072]
_cell_length_b [4.8... |
agm002822696 | Cu2SbY | data_[Y4Cu8Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Cu 1.9000 1.3500 0.8200
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [4.4105]
_cell_length_b [4.4105]
_cell_length_c [18.3553]
_ce... |
agm003991721 | Sr2YZn | data_[Sr4Y2Zn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Y 1.2200 1.8000 1.0400
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.8802]
_cell_length_b [5.9762]
_cell_length_c [12.5215]
_cel... |
agm004729180 | CeCs4Pr3S8 | data_[Cs12Ce3Pr9S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ce 1.1200 1.8500 1.0800
Pr 1.1300 1.8500 1.0600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.5680]
_cell_length_b [8.5... |
agm001350722 | AgIrLuNd | data_[Nd4Lu4Ag4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Lu 1.2700 1.7500 1.0010
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 [7.0886]
_cell_length_b [7.... |
agm1000015958 | SSn | data_[Sn3S3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3_1]
_cell_length_a [17.3338]
_cell_length_b [17.3338]
_cell_length_c [3.7241]
_cell_angle_alpha [90.0000]
_cell_a... |
agm003739115 | CoH4Mg | data_[Mg2Co2H8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Co 1.8800 1.3500 0.7683
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [4.4482]
_cell_length_b [4.1187]
_cell_length_c [5.0913]
_ce... |
agm004948290 | Mg2O6PuY | data_[Y3Pu3Mg6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Pu 1.2800 1.7500 0.9675
Mg 1.3100 1.5000 0.8600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.4927]
_cell_length_b [5.4927]
... |
oqmd-4668682 | CuIrKSe3 | data_[K4Cu4Ir4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Cu 1.9000 1.3500 0.8200
Ir 2.2000 1.3500 0.7650
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.9195]
_cell_length_b [3.8... |
agm001216222 | Ge2NaPm | data_[Na1Pm1Ge2]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5592]
_cell_length_b [4.5592]
_cell_length_c [4.3045]
_... |
agm001995944 | CoDy2Ti | data_[Dy6Ti3Co3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ti 1.5400 1.4000 0.8517
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.3332]
_cell_length_b [3.3332]
_cell_length_c [29.2364]
_c... |
agm003374505 | Er5Ho5Sc2 | data_[Ho10Er10Sc4]
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
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.6536]
_cell_length_b [5.4861]
_cell_length_c [9.4679]
... |
agm003591238 | As4GeU4 | data_[U8Ge2As8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Ge 2.0100 1.2500 0.7700
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [9.1267]
_cell_length_b [9.1267]
_cell_length_c [5.7038]
_cell... |
agm004381020 | BeIrMn | data_[Mn4Be4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Be 1.5700 1.0500 0.5900
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [2.9019]
_cell_length_b [4.4539]
_cell_length_c [11.5909]
_c... |
oqmd-7832864 | Ba2ClCrO3 | data_[Ba4Cr2Cl2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Cr 1.6600 1.4000 0.9400
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.0890]
_cell_length_b [4.0... |
agm005488594 | TaW | data_[Ta4W4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.6273]
_cell_length_b [4.6273]
_cell_length_c [7.9710]
_cell_angle_alpha [90.0000]
_cell... |
agm002352579 | PdRu2Sb | data_[Sb4Pd4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
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 [6.3162]
_cell_length_b [6.3162]
_cell_length_c [6.3162]
_c... |
agm1000018615 | CrP | data_[Cr6P6]
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
]
_symmetry_space_group_name_H-M [P3_2]
_cell_length_a [17.2678]
_cell_length_b [17.2678]
_cell_length_c [7.2115]
_cell_angle_alpha [90.0000]
_cell_a... |
agm005090318 | BaCl6CrRb | data_[Rb2Ba2Cr2Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ba 0.8900 2.1500 1.4900
Cr 1.6600 1.4000 0.9400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [7.3838]
_cell_length_b [7... |
agm003737339 | Er4InMg | data_[Er16Mg4In4]
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
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.1326]
_cell_length_b [23.3073]
_cell_length_c [6.4659]... |
agm002265964 | CrSbZn2 | data_[Zn4Cr2Sb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Cr 1.6600 1.4000 0.9400
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9614]
_cell_length_b [3.9614]
_cell_length_c [8.8792]
_... |
agm005965195 | La3Sm6Y | data_[La6Sm12Y2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sm 1.1700 1.8500 1.2290
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3430]
_cell_length_b [8.8187]
_cell_length_c [9.0656]
_cel... |
agm001179501 | Ac4GdMg | data_[Ac16Gd4Mg4]
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
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [10.1438]
_cell_length_b [10.1438]
_cell_length_c [10.1438... |
agm004397329 | Ba2OsTe | data_[Ba2Te1Os1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Te 2.1000 1.4000 1.2933
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.8713]
_cell_length_b [3.8713]
_cell_length_c [9.5488]
_ce... |
agm004521861 | Al4Au3Pm2Si | data_[Pm2Al4Si1Au3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Al 1.6100 1.2500 0.6750
Si 1.9000 1.1000 0.5400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.3934]
_cell_length_b [4.... |
agm002633084 | Al2IrP | data_[Al8P4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
P 2.1900 1.0000 0.5500
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.1443]
_cell_length_b [6.1443]
_cell_length_c [6.1443]
_cel... |
agm001910900 | AuPuScSi | data_[Pu4Sc4Si4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Sc 1.3600 1.6000 0.8850
Si 1.9000 1.1000 0.5400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.9696]
_cell_length_b [6.... |
agm001551686 | ClCrFe2Hg | data_[Cr1Fe2Hg1Cl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Fe 1.8300 1.4000 0.8525
Hg 2.0000 1.5000 1.2450
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1522]
_cell_length_b [4... |
agm001369875 | DyInMgZn | data_[Dy4Mg4Zn4In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Mg 1.3100 1.5000 0.8600
Zn 1.6500 1.3500 0.8800
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1046]
_cell_length_b [7.... |
agm005710497 | O14Re3Sr6 | data_[Sr6Re3O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Re 1.9000 1.3500 0.7125
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P3]
_cell_length_a [8.8807]
_cell_length_b [8.8807]
_cell_length_c [5.5106]
_cell_... |
agm003734665 | AcDyY4 | data_[Ac4Dy4Y16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Dy 1.2200 1.7500 1.1310
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.9299]
_cell_length_b [6.3056]
_cell_length_c [12.3427]
_c... |
agm003754602 | AuBi4Ir | data_[Bi16Ir4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
Ir 2.2000 1.3500 0.7650
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [9.0584]
_cell_length_b [9.0584]
_cell_length_c [8.9298]
... |
agm003526884 | Ga2PtZn8 | data_[Zn16Ga4Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ga 1.8100 1.3000 0.7600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.2669]
_cell_length_b [4.4209]
_cell_length_c [4.9499]
_... |
agm004195590 | CdCl2P | data_[Cd1P1Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
P 2.1900 1.0000 0.5500
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.3408]
_cell_length_b [5.4409]
_cell_length_c [5.1582]
_cell... |
agm003979891 | PbSiZr2 | data_[Zr2Si1Pb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Si 1.9000 1.1000 0.5400
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.0958]
_cell_length_b [4.1119]
_cell_length_c [5.0645]
_ce... |
agm001059452 | ErPmRh | data_[Pm3Er3Rh3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Er 1.2400 1.7500 1.0300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.4438]
_cell_length_b [7.4438]
_cell_length_c [4.6714]
_c... |
agm004590162 | AcGe2Nd2Pt7 | data_[Ac2Nd4Ge4Pt14]
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
Ge 2.0100 1.2500 0.7700
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.0623]
_cell_length_b [5.... |
agm001323599 | CdCuLiSm | data_[Li4Sm4Cd4Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sm 1.1700 1.8500 1.2290
Cd 1.6900 1.5500 1.0900
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.8150]
_cell_length_b [6.... |
agm001131462 | HScTb2 | data_[Tb2Sc1H1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Sc 1.3600 1.6000 0.8850
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.2772]
_cell_length_b [3.2772]
_cell_length_c [8.1736]
_ce... |
agm004563191 | Ag2Cu2S4Sn | data_[Cu4Ag4Sn2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Ag 1.9300 1.6000 1.0867
Sn 1.9600 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7691]
_cell_length_b [3.81... |
agm006039415 | Be5Cu4V | data_[Be5V1Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
V 1.6300 1.3500 0.7775
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.6774]
_cell_length_b [2.6774]
_cell_length_c [13.9099]
_c... |
agm2000100069 | BrCa2P | data_[Ca4P2Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
P 2.1900 1.0000 0.5500
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.3750]
_cell_length_b [18.3608]
_cell_length_c [14.1342]
_ce... |
agm004878460 | Nb2NpO8Rb | data_[Rb2Np2Nb4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Np 1.3600 1.7500 1.0000
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3194]
_cell_length_b [6.51... |
agm001983070 | Gd2ITm | data_[Gd6Tm3I3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Tm 1.2500 1.7500 1.0950
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.7593]
_cell_length_b [3.7593]
_cell_length_c [31.4688]
_cel... |
agm001471078 | AlBeO2Rb | data_[Rb1Be1Al1O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Be 1.5700 1.0500 0.5900
Al 1.6100 1.2500 0.6750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8004]
_cell_length_b [3.8... |
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