Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm001217182 | DyNd2Tm | data_[Nd2Dy1Tm1]
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
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.1130]
_cell_length_b [5.1130]
_cell_length_c [5.0291]
_... |
oqmd-2315760 | Pd2RhSb | data_[Sb4Pd8Rh4]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.3688]
_cell_length_b [6.3688]
_cell_length_c [6.3688]
_c... |
oqmd-9752704 | Cu17Ge | data_[Cu34Ge2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.0869]
_cell_length_b [5.0869]
_cell_length_c [31.8742]
_cell_angle_alpha [90.0000]
_cel... |
agm001532741 | Cu2MnNPt | data_[Mn1Cu2Pt1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Cu 1.9000 1.3500 0.8200
Pt 2.2800 1.3500 0.8050
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.7479]
_cell_length_b [4.7... |
agm005992741 | Au3Nd4Rh | data_[Nd4Rh1Au3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Rh 2.2800 1.3500 0.7450
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.9130]
_cell_length_b [4.7377]
_cell_length_c [11.0832]
_c... |
agm005947767 | Ho3PmSc3 | data_[Pm6Ho18Sc18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Ho 1.2300 1.7500 1.0410
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [8.3187]
_cell_length_b [8.3187]
_cell_length_c [20.9215]
_... |
agm001328186 | CdCeOsSc | data_[Ce4Sc4Cd4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Sc 1.3600 1.6000 0.8850
Cd 1.6900 1.5500 1.0900
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.9883]
_cell_length_b [6.... |
agm002533575 | CoN3Si | data_[Co1Si1N3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.5392]
_cell_length_b [3.5392]
_cell_length_c [3.5392]
_cel... |
agm003023747 | HgSn2Ti2 | data_[Ti4Sn4Hg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Sn 1.9600 1.4500 0.8300
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.3516]
_cell_length_b [8.3516]
_cell_length_c [3.0883]
_... |
agm003479084 | InPr2Zn5 | data_[Pr4Zn10In2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Zn 1.6500 1.3500 0.8800
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [6.6590]
_cell_length_b [6.6590]
_cell_length_c [7.9640]
_c... |
agm001979106 | BrCa2Tm | data_[Ca6Tm3Br3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Tm 1.2500 1.7500 1.0950
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.7842]
_cell_length_b [3.7842]
_cell_length_c [31.2105]
_c... |
agm001040487 | GaLaPm | data_[La2Pm2Ga2]
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
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.9459]
_cell_length_b [4.9459]
_cell_length_c [7.5716]
_... |
agm005824763 | Mg2Nd6Y | data_[Nd12Y2Mg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Y 1.2200 1.8000 1.0400
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [C222]
_cell_length_a [6.1945]
_cell_length_b [10.6326]
_cell_length_c [8.8343]
_ce... |
agm005583379 | Mn3O12Pa4 | data_[Pa8Mn6O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Mn 1.5500 1.4000 0.6483
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [8.3408]
_cell_length_b [8.3408]
_cell_length_c [8.3408]
_cel... |
agm005743989 | Co4Hf11In9 | data_[Hf22In18Co8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
In 1.7800 1.5500 0.9400
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [13.8430]
_cell_length_b [20.5104]
_cell_length_c [3.3363]... |
agm2000000688 | CaH2 | data_[Ca4H8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P6mm]
_cell_length_a [7.3023]
_cell_length_b [7.3023]
_cell_length_c [17.2391]
_cell_angle_alpha [90.0000]
_cell_an... |
agm005486359 | C4Pb3 | data_[Pb3C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pb 2.3300 1.8000 1.1225
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [7.5786]
_cell_length_b [7.5786]
_cell_length_c [2.8431]
_cell_angle_alpha [90.0000]
_cell_a... |
agm006115498 | AlCu4Zn5 | data_[Al2Zn10Cu8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9652]
_cell_length_b [3.9610]
_cell_length_c [6.3408]
_... |
agm004666266 | AlCu6Ga2Pm3 | data_[Pm3Al1Ga2Cu6]
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
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.5759]
_cell_length_b [5.... |
agm005009142 | AsH2MgSr | data_[Sr4Mg4As4H8]
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
As 2.1800 1.1500 0.6600
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3090]
_cell_length_b [11.60... |
agm001264470 | AcHgSn | data_[Ac1Sn1Hg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Sn 1.9600 1.4500 0.8300
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.8384]
_cell_length_b [4.8384]
_cell_length_c [4.6732]
_ce... |
agm001026259 | BIrRb | data_[Rb2B2Ir2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
B 2.0400 0.8500 0.4100
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.9948]
_cell_length_b [3.9948]
_cell_length_c [10.7424]
_c... |
mp-674646 | Bi6Ca4O13 | data_[Ca4Bi6O13]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.7128]
_cell_length_b [4.6111]
_cell_length_c [23.6986]
_cell... |
agm004041213 | AuBaW2 | data_[Ba3W6Au3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
W 2.3600 1.3500 0.7667
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.9620]
_cell_length_b [2.9620]
_cell_length_c [32.9378]
_cel... |
agm003731407 | MnPaPt3 | data_[Pa2Mn2Pt6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Mn 1.5500 1.4000 0.6483
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.4189]
_cell_length_b [6.4189]
_cell_length_c [5.1945]... |
agm005004786 | BaBiHg2Tl | data_[Ba2Tl2Hg4Bi2]
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
Hg 2.0000 1.5000 1.2450
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.9364]
_cell_length_b [5.1... |
agm003765047 | CdLiTl6 | data_[Li1Tl6Cd1]
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
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.8955]
_cell_length_b [6.0691]
_cell_length_c [6.5371]
_cel... |
agm003757238 | AuCu4Ni | data_[Cu16Ni4Au4]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.2650]
_cell_length_b [6.6256]
_cell_length_c [4.4499]
_... |
oqmd-2071930 | Cs2O5V2 | data_[Cs2V2O5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8794]
_cell_length_b [3.8794]
_cell_length_c [9.1576]
_cell... |
agm005999599 | Pd4Pu3Sm | data_[Sm1Pu3Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Pu 1.2800 1.7500 0.9675
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.5042]
_cell_length_b [5.0130]
_cell_length_c [10.0788]
_c... |
agm002549838 | CuNaNb3 | data_[Na1Nb3Cu1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Nb 1.6000 1.4500 0.8200
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.6525]
_cell_length_b [4.6525]
_cell_length_c [4.6525]
_c... |
agm005590594 | PrSm3Tm2 | data_[Pr4Sm12Tm8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Sm 1.1700 1.8500 1.2290
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2054]
_cell_length_b [3.6198]
_cell_length_c [17.8203]
... |
agm001003542 | BiLiTi | data_[Li4Ti4Bi4]
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
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.6028]
_cell_length_b [3.6028]
_cell_length_c [21.9006]
... |
agm001937736 | AgBi2Cd | data_[Cd3Ag3Bi6]
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
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.4174]
_cell_length_b [3.4174]
_cell_length_c [33.3523]
_c... |
agm001994299 | Co2PaRh | data_[Pa3Co6Rh3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Co 1.8800 1.3500 0.7683
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.2785]
_cell_length_b [4.2785]
_cell_length_c [11.3851]
_c... |
agm004932381 | Ac2AuInPd6 | data_[Ac12In6Pd36Au6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
In 1.7800 1.5500 0.9400
Pd 2.2000 1.4000 0.8462
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.7197]
_cell_length_b [6... |
agm003727114 | BrCl3Re | data_[Re4Br4Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
Br 2.9600 1.1500 0.8825
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.9819]
_cell_length_b [5.9816]
_cell_length_c [12.0885]... |
agm006045830 | Ga2Pr4S | data_[Pr8Ga4S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ga 1.8100 1.3000 0.7600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6008]
_cell_length_b [4.3310]
_cell_length_c [8.8372]
_cel... |
agm004707195 | B4O12PmV3 | data_[Pm3V9B12O36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
V 1.6300 1.3500 0.7775
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [9.7049]
_cell_length_b [9.7049]
... |
agm002798450 | AgBe2Zr | data_[Zr4Be8Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Be 1.5700 1.0500 0.5900
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [4.1272]
_cell_length_b [4.1272]
_cell_length_c [15.8282... |
agm003697244 | Cd6ErTm8 | data_[Er3Tm24Cd18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Tm 1.2500 1.7500 1.0950
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [8.8589]
_cell_length_b [8.8589]
_cell_length_c [18.9414]
_... |
agm002798804 | BeMoSc2 | data_[Sc8Be4Mo4]
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
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [7.1962]
_cell_length_b [7.1962]
_cell_length_c [5.4205]
_c... |
agm004086251 | CTa2W | data_[Ta6W3C3]
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
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.0779]
_cell_length_b [3.0779]
_cell_length_c [21.4127]
_cell_... |
agm005587672 | Ag2Cl6Pb | data_[Ag8Pb4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Pb 2.3300 1.8000 1.1225
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.4657]
_cell_length_b [9.6531]
_cell_length_c [7.5872]
_... |
agm2000140222 | NbNpSe4 | data_[Np2Nb2Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Nb 1.6000 1.4500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [13.1517]
_cell_length_b [3.7557]
_cell_length_c [18.3976]... |
agm003486761 | Sm2Tb6Tl | data_[Tb12Sm4Tl2]
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
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.5186]
_cell_length_b [10.2254]
_cell_length_c [15.9843]
... |
agm003716049 | AcDySn3 | data_[Ac8Dy8Sn24]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.1648]
_cell_length_b [17.2447]
_cell_length_c [6.4923]
... |
agm003749616 | CeN4P | data_[Ce2P2N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
P 2.1900 1.0000 0.5500
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/nbm]
_cell_length_a [5.6299]
_cell_length_b [5.6299]
_cell_length_c [4.4605]
_cell... |
mp-1199776 | C9H28INSn3 | data_[Sn24H224C72I8N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
H 2.2000 0.2500 0.0000
C 2.5500 0.7000 0.3000
I 2.6600 1.4000 1.2733
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a... |
agm005564401 | Ac5In2Te2 | data_[Ac20In8Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
In 1.7800 1.5500 0.9400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [17.0719]
_cell_length_b [8.8317]
_cell_length_c [8.8627]
_... |
agm003860295 | CaCl2Cr | data_[Ca1Cr1Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Cr 1.6600 1.4000 0.9400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.6699]
_cell_length_b [4.1384]
_cell_length_c [6.2433]
_ce... |
agm005741791 | AgBr5Tl | data_[Tl4Ag4Br20]
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
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.0056]
_cell_length_b [12.3648]
_cell_length_c [9.9174]
... |
agm2000015359 | Al2Te3 | data_[Al4Te6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [18.0542]
_cell_length_b [6.7632]
_cell_length_c [10.1235]
_cell_angle_alpha [90.0000]
_cell... |
agm005947690 | P3Ru5Sc | data_[Sc4P12Ru20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
P 2.1900 1.0000 0.5500
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [2.9936]
_cell_length_b [12.6423]
_cell_length_c [13.9109]
_... |
agm003732036 | AlDy3Hg | data_[Dy6Al2Hg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Al 1.6100 1.2500 0.6750
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [8.1285]
_cell_length_b [8.1285]
_cell_length_c [4.9719]... |
agm005840284 | Ag4Pm2Sm | data_[Pm4Sm2Ag8]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.4350]
_cell_length_b [5.4350]
_cell_length_c [12.8411]
... |
oqmd-8880426 | F4Te | data_[Te2F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [4.9577]
_cell_length_b [5.0336]
_cell_length_c [5.7979]
_cell_angle_alpha [90.0000]
_cell_a... |
agm005860925 | Ag2Er8Pb | data_[Er16Ag4Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ag 1.9300 1.6000 1.0867
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.3059]
_cell_length_b [5.1285]
_cell_length_c [8.1816]
_... |
agm003027231 | Bi2InY2 | data_[Y4In2Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
In 1.7800 1.5500 0.9400
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.4700]
_cell_length_b [8.4700]
_cell_length_c [4.2020]
_ce... |
agm005159323 | MnPb2S5Sc | data_[Sc4Mn4Pb8S20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Mn 1.5500 1.4000 0.6483
Pb 2.3300 1.8000 1.1225
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.8458]
_cell_length_b [17... |
agm005990493 | Fe8HoMg3 | data_[Ho3Mg9Fe24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Mg 1.3100 1.5000 0.8600
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.9723]
_cell_length_b [4.9723]
_cell_length_c [24.2530]
_c... |
agm004436794 | NiOsP2 | data_[Ni2P4Os2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
P 2.1900 1.0000 0.5500
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [2.7888]
_cell_length_b [5.0020]
_cell_length_c [7.7250]
_cell... |
agm005955956 | Ac6ErNd3 | data_[Ac12Nd6Er2]
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
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1726]
_cell_length_b [7.4596]
_cell_length_c [9.4261]
_... |
agm004682910 | CrO8Pr3Rb3 | data_[Rb9Pr9Cr3O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Pr 1.1300 1.8500 1.0600
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.0552]
_cell_length_b [7.05... |
agm004642300 | Mn2S6Tl3Tm | data_[Tm2Mn4Tl6S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Mn 1.5500 1.4000 0.6483
Tl 1.6200 1.9000 1.3325
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.4701]
_cell_length_b [11.1... |
agm005955420 | Li3NdTl4 | data_[Li9Nd3Tl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Nd 1.1400 1.8500 1.2765
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.0176]
_cell_length_b [5.0176]
_cell_length_c [25.9967]
_... |
agm001047603 | AuPPa | data_[Pa6P6Au6]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.5450]
_cell_length_b [4.5450]
_cell_length_c [24.4310]
_cel... |
agm001653562 | CdCoGa2Mg | data_[Mg1Cd1Ga2Co1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Cd 1.6900 1.5500 1.0900
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5669]
_cell_length_b [4... |
agm004167554 | Al2HgTa | data_[Ta1Al2Hg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Al 1.6100 1.2500 0.6750
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.5450]
_cell_length_b [3.5450]
_cell_length_c [5.7213]
_ce... |
agm2000137799 | AuTeTl | data_[Tl2Te2Au2]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.6698]
_cell_length_b [4.6698]
_cell_length_c [20.1279]
... |
agm002904563 | As2BrZn | data_[Zn4As8Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
As 2.1800 1.1500 0.6600
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [3.9586]
_cell_length_b [3.9586]
_cell_length_c [23.0144]
_... |
agm001069522 | Nb2PS4 | data_[Nb4P2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
P 2.1900 1.0000 0.5500
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.4797]
_cell_length_b [4.4797]
_cell_length_c [12.7676]
_cel... |
oqmd-5646758 | Cl4CuK | data_[K4Cu4Cl16]
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
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.2120]
_cell_length_b [5.6218]
_cell_length_c [9.6057]
_ce... |
agm005708938 | CoMgO2 | data_[Mg8Co8O16]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.0558]
_cell_length_b [12.0938]
_cell_length_c [5.2236]
_ce... |
agm003897314 | Ca2PtSr | data_[Sr3Ca6Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ca 1.0000 1.8000 1.1400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.1713]
_cell_length_b [4.1713]
_cell_length_c [30.2118]
_c... |
agm004745281 | HoIn2NdZn2 | data_[Nd1Ho1Zn2In2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ho 1.2300 1.7500 1.0410
Zn 1.6500 1.3500 0.8800
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.6999]
_cell_length_b [4.... |
mp-770630 | B3Cr2Li2O9Rb | data_[Rb2Li4Cr4B6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Li 0.9800 1.4500 0.9000
Cr 1.6600 1.4000 0.9400
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a... |
agm004788969 | Ac4HgIrRh2 | data_[Ac8Hg2Ir2Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Hg 2.0000 1.5000 1.2450
Ir 2.2000 1.3500 0.7650
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I222]
_cell_length_a [7.5316]
_cell_length_b [7.9... |
agm004996794 | Ho2PmScTb | data_[Tb4Pm4Ho8Sc4]
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
Ho 1.2300 1.7500 1.0410
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [8.1862]
_cell_length_b [11.... |
agm004904705 | BaIO8Tb2 | data_[Ba1Tb2I1O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Tb 1.1000 1.7500 0.9815
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.0057]
_cell_length_b [7.4618]... |
agm001061184 | FeMgRh | data_[Mg3Fe3Rh3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Fe 1.8300 1.4000 0.8525
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.2888]
_cell_length_b [6.2888]
_cell_length_c [4.1095]
_c... |
oqmd-5393069 | Ba2HfW | data_[Ba8Hf4W4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Hf 1.3000 1.5500 0.8500
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.6786]
_cell_length_b [7.6786]
_cell_length_c [7.6786]
_cel... |
agm005134723 | Ho5Ir2RuTl2 | data_[Ho10Tl4Ir4Ru2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Tl 1.6200 1.9000 1.3325
Ir 2.2000 1.3500 0.7650
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [11.6808]
_cell_length_b ... |
agm005631260 | Cd9In3Mg2 | data_[Mg4Cd18In6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Cd 1.6900 1.5500 1.0900
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.7054]
_cell_length_b [8.4877]
_cell_length_c [17.8649]
_... |
agm001082981 | Ag2FNd4 | data_[Nd8Ag4F2]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.9592]
_cell_length_b [4.9592]
_cell_length_c [15.4203]
_c... |
agm004276837 | IrMg2W | data_[Mg4Ir2W2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ir 2.2000 1.3500 0.7650
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8432]
_cell_length_b [3.8432]
_cell_length_c [8.8977]
_ce... |
agm004117796 | CoPW2 | data_[Co2P2W4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
P 2.1900 1.0000 0.5500
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [2.9475]
_cell_length_b [4.2809]
_cell_length_c [8.4729]
_cell_a... |
agm001458843 | BCu2ReTc | data_[Cu2Re1Tc1B1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Re 1.9000 1.3500 0.7125
Tc 1.9000 1.3500 0.7417
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9009]
_cell_length_b [3.9... |
agm005965631 | La3NiZn3 | data_[La6Zn6Ni2]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.8289]
_cell_length_b [4.5939]
_cell_length_c [19.5617]
_c... |
agm005935788 | Ac3Au3Sn | data_[Ac12Sn4Au12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Sn 1.9600 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9613]
_cell_length_b [4.5541]
_cell_length_c [16.3926]... |
agm003353324 | Ac2La7Pm3 | data_[Ac2La7Pm3]
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
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.1058]
_cell_length_b [3.7348]
_cell_length_c [20.0098]
_c... |
agm004668442 | Cs3O8RbV2 | data_[Cs3Rb1V2O8]
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
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.6248]
_cell_length_b [6.6248... |
agm004617830 | GaI6K3Na2 | data_[K6Na4Ga2I12]
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
Ga 1.8100 1.3000 0.7600
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.2200]
_cell_length_b [4.841... |
agm004259745 | KTcY | data_[K1Y1Tc1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Y 1.2200 1.8000 1.0400
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [5.3751]
_cell_length_b [5.3751]
_cell_length_c [2.8413]
_cell_... |
agm003683081 | DyLa8Tb5 | data_[La16Tb10Dy2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Tb 1.1000 1.7500 0.9815
Dy 1.2200 1.7500 1.1310
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [9.8458]
_cell_length_b [9.8458]
_cell_length_c [10.3709]
_... |
agm002944311 | Ag2AuSe2 | data_[Ag4Au2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Au 2.5400 1.3500 1.0700
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9063]
_cell_length_b [3.9063]
_cell_length_c [14.1678]
... |
agm004756714 | BaHgMg2Sn2 | data_[Ba2Mg4Sn4Hg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Mg 1.3100 1.5000 0.8600
Sn 1.9600 1.4500 0.8300
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [7.7913]
_cell_length_b [9.2... |
agm004096967 | BaBrCr | data_[Ba4Cr4Br4]
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
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.7600]
_cell_length_b [7.7600]
_cell_length_c [7.7600]
_c... |
agm003422292 | CdHg3Sc2 | data_[Sc16Cd8Hg24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Cd 1.6900 1.5500 1.0900
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [6.4343]
_cell_length_b [9.7440]
_cell_length_c [16.7902]
... |
agm002146547 | CuGeSe | data_[Cu4Ge4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Ge 2.0100 1.2500 0.7700
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pca2_1]
_cell_length_a [6.0344]
_cell_length_b [6.0544]
_cell_length_c [6.0743]
_... |
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