Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm004619738 | As6Er2HoTm3 | data_[Ho2Er4Tm6As12]
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
Tm 1.2500 1.7500 1.0950
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.7605]
_cell_length_b [4... |
agm002207682 | Cu2GeRh | data_[Cu16Ge8Rh8]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [7.0920]
_cell_length_b [7.5176]
_cell_length_c [7.9724]
_c... |
agm002997165 | Ga2Mn2Zn | data_[Mn4Zn2Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Zn 1.6500 1.3500 0.8800
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.9442]
_cell_length_b [6.9442]
_cell_length_c [3.0345]
_... |
agm006052266 | LiTe4Th3 | data_[Li1Th3Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Th 1.3000 1.8000 1.0800
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.4491]
_cell_length_b [4.4491]
_cell_length_c [12.4572]
... |
agm001564778 | AlCrPt2Sn | data_[Al1Cr1Sn1Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Cr 1.6600 1.4000 0.9400
Sn 1.9600 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9129]
_cell_length_b [4... |
mp-2232235 | K4MgMo2O8 | data_[K4Mg1Mo2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Mg 1.3100 1.5000 0.8600
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.0391]
_cell_length_b [6.9094]
_... |
agm005910024 | PrTlTm4 | data_[Pr1Tm4Tl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Tm 1.2500 1.7500 1.0950
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5768]
_cell_length_b [3.5768]
_cell_length_c [14.1192]
... |
agm003504704 | Pd6TiV2 | data_[Ti1V2Pd6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
V 1.6300 1.3500 0.7775
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-31m]
_cell_length_a [7.5814]
_cell_length_b [7.5814]
_cell_length_c [2.7122]
_cel... |
agm005106149 | PtSmTm2 | data_[Sm3Tm6Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Tm 1.2500 1.7500 1.0950
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.9132]
_cell_length_b [3.9132]
_cell_length_c [26.7941]
_ce... |
agm001394554 | DyHoPrTl | data_[Pr4Dy4Ho4Tl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Dy 1.2200 1.7500 1.1310
Ho 1.2300 1.7500 1.0410
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.8313]
_cell_length_b [7.... |
agm005602119 | CoNiPd | data_[Co2Ni2Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Ni 1.9100 1.3500 0.7400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [2.5823]
_cell_length_b [2.5983]
_cell_length_c [12.0604]
_c... |
agm004820905 | PbSSe2Tb4 | data_[Tb4Pb1Se2S1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Pb 2.3300 1.8000 1.1225
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.2119]
_cell_length_b [4.155... |
agm004398668 | Pt3Y | data_[Y3Pt9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.0253]
_cell_length_b [3.0253]
_cell_length_c [27.5496]
_cell_angle_alpha [90.0000]
_cell_an... |
agm005823939 | Au2CdZn2 | data_[Zn4Cd2Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Cd 1.6900 1.5500 1.0900
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.3179]
_cell_length_b [4.5177]
_cell_length_c [9.9021]
_ce... |
agm004145920 | CrSeSr | data_[Sr2Cr2Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cr 1.6600 1.4000 0.9400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.6703]
_cell_length_b [3.6703]
_cell_length_c [11.4227]
_c... |
agm003424286 | Au2Te3Tm | data_[Tm2Te6Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Te 2.1000 1.4000 1.2933
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.7088]
_cell_length_b [4.1887]
_cell_length_c [12.0298]
... |
agm003310541 | Ag2La2Nd3 | data_[La4Nd6Ag4]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2345]
_cell_length_b [3.8848]
_cell_length_c [9.6164]
_c... |
agm001273491 | PuRhSr | data_[Sr1Pu1Rh1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Pu 1.2800 1.7500 0.9675
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.5100]
_cell_length_b [4.5100]
_cell_length_c [5.2032]
_c... |
agm004203986 | FeNiRh2 | data_[Fe2Ni2Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Ni 1.9100 1.3500 0.7400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.8172]
_cell_length_b [2.6818]
_cell_length_c [4.5201]
_cell... |
agm001379646 | LiPdSbTm | data_[Li4Tm4Sb4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Tm 1.2500 1.7500 1.0950
Sb 2.0500 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.8983]
_cell_length_b [6.... |
agm003502924 | Al2Dy6Nd | data_[Nd2Dy12Al4]
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
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [4.7799]
_cell_length_b [4.7799]
_cell_length_c [27.6604]
... |
agm002421618 | BeSi3Te | data_[Be1Si3Te1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Si 1.9000 1.1000 0.5400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.1555]
_cell_length_b [5.1555]
_cell_length_c [5.1555]
_c... |
agm005945517 | Pm2PuRh9 | data_[Pm6Pu3Rh27]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Pu 1.2800 1.7500 0.9675
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.2876]
_cell_length_b [5.2876]
_cell_length_c [26.5794]
_... |
agm005617954 | Ag2Cu3Li8 | data_[Li8Cu3Ag2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cu 1.9000 1.3500 0.8200
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.7074]
_cell_length_b [4.3390]
_cell_length_c [9.7767]
_ce... |
agm002289668 | Mn3SnYb2 | data_[Yb6Mn9Sn3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Mn 1.5500 1.4000 0.6483
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.5473]
_cell_length_b [5.5473]
_cell_length_c [13.7965]
_c... |
agm003715108 | HfKSe3 | data_[K4Hf4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Hf 1.3000 1.5500 0.8500
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.8563]
_cell_length_b [5.0656]
_cell_length_c [8.7974]
_ce... |
agm004686095 | AlRb3S8Y3 | data_[Rb9Y9Al3S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Y 1.2200 1.8000 1.0400
Al 1.6100 1.2500 0.6750
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.8861]
_cell_length_b [7.8861... |
agm004855534 | Er4Ho2ScY | data_[Y1Ho2Er4Sc1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
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 [P4/mmm]
_cell_length_a [4.9361]
_cell_length_b [4.9... |
agm004551883 | Al2Ga2HoTb2 | data_[Tb6Ho3Al6Ga6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ho 1.2300 1.7500 1.0410
Al 1.6100 1.2500 0.6750
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.2618]
_cell_length_b [4.2... |
agm002103915 | AuLaN | data_[La1Au1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Au 2.5400 1.3500 1.0700
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6259]
_cell_length_b [3.6259]
_cell_length_c [4.5088]
_ce... |
agm001359256 | CoErNiZr | data_[Er4Zr4Co4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Zr 1.3300 1.5500 0.8600
Co 1.8800 1.3500 0.7683
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.5246]
_cell_length_b [6.... |
agm003693771 | DyNd6Pr12 | data_[Pr36Nd18Dy3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Nd 1.1400 1.8500 1.2765
Dy 1.2200 1.7500 1.1310
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.3979]
_cell_length_b [12.3979]
_cell_length_c [15.4992]... |
oqmd-6137012 | Au2CeLa2Pd2Si4 | data_[La4Ce2Si8Pd4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ce 1.1200 1.8500 1.0800
Si 1.9000 1.1000 0.5400
Pd 2.2000 1.4000 0.8462
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Immm]
_cell_lengt... |
agm001458425 | Co2MnSW | data_[Mn1Co2W1S1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Co 1.8800 1.3500 0.7683
W 2.3600 1.3500 0.7667
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0586]
_cell_length_b [4.058... |
oqmd-6113835 | BrCDy4I4 | data_[Dy8C2I8Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
C 2.5500 0.7000 0.3000
I 2.6600 1.4000 1.2733
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.1938]
_cell_length_b [3.9250... |
agm003038096 | BHfK | data_[K2Hf2B2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Hf 1.3000 1.5500 0.8500
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.8296]
_cell_length_b [4.8296]
_cell_length_c [5.1869]
_cell... |
agm004500429 | Cu12IrLa2Zn3 | data_[La6Zn9Cu36Ir3]
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
Cu 1.9000 1.3500 0.8200
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.1427]
_cell_length_b [6.... |
agm004025572 | LaPtSc2 | data_[La1Sc2Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sc 1.3600 1.6000 0.8850
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3492]
_cell_length_b [4.3492]
_cell_length_c [4.9496]
_... |
agm002144209 | AcAu2Co | data_[Ac4Co4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Co 1.8800 1.3500 0.7683
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1996]
_cell_length_b [7.1996]
_cell_length_c [7.1996]
_c... |
agm003761265 | AlGa5Sn | data_[Al1Ga5Sn1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Ga 1.8100 1.3000 0.7600
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0544]
_cell_length_b [4.0544]
_cell_length_c [8.7524]
_... |
agm004443629 | GaRh | data_[Ga6Rh6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.1747]
_cell_length_b [8.2528]
_cell_length_c [5.5984]
_cell_angle_alpha [90.0000]
_cell_a... |
agm001329591 | CdHgHoMg | data_[Ho4Mg4Cd4Hg4]
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
Cd 1.6900 1.5500 1.0900
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1674]
_cell_length_b [7.... |
agm003891633 | CrMg2W | data_[Mg4Cr2W2]
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
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.7712]
_cell_length_b [3.7712]
_cell_length_c [9.1741]
_ce... |
agm004587971 | K2NpTb2Te6 | data_[K4Tb4Np2Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Tb 1.1000 1.7500 0.9815
Np 1.3600 1.7500 1.0000
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6946]
_cell_length_b [13.3... |
agm003437351 | Cu3Sm2Tm | data_[Sm2Tm1Cu3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Tm 1.2500 1.7500 1.0950
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.4911]
_cell_length_b [3.4911]
_cell_length_c [10.5595]
... |
agm004632058 | NdPm6Pr3Y2 | data_[Pm12Pr6Nd2Y4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Pr 1.1300 1.8500 1.0600
Nd 1.1400 1.8500 1.2765
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3383]
_cell_length_b [10.9... |
agm003560062 | HoS4Sr3 | data_[Sr6Ho2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ho 1.2300 1.7500 1.0410
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.3698]
_cell_length_b [11.7778]
_cell_length_c [4.1456]
_cel... |
agm004649660 | Pm3ScSm6Tb2 | data_[Tb4Pm6Sm12Sc2]
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
Sm 1.1700 1.8500 1.2290
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2316]
_cell_length_b [10... |
oqmd-5759038 | ErHf2 | data_[Er2Hf4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Hf 1.3000 1.5500 0.8500
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [5.6176]
_cell_length_b [5.6176]
_cell_length_c [5.4896]
_cell_angle_alpha [90.0000]
_ce... |
agm004972745 | AcDy2Pr6Y | data_[Ac4Pr24Dy8Y4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Pr 1.1300 1.8500 1.0600
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 [9.4345]
_cell_length_b [15.6... |
agm002683427 | FeHP2 | data_[Fe4P8H4]
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
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.4114]
_cell_length_b [5.4114]
_cell_length_c [5.4114]
_cell_... |
agm001254990 | H12Rh5Zr3 | data_[Zr24H96Rh40]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
H 2.2000 0.2500 0.0000
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [11.2569]
_cell_length_b [11.2569]
_cell_length_c [11.2569... |
agm001262909 | DyErY | data_[Dy1Y1Er1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Y 1.2200 1.8000 1.0400
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [5.5762]
_cell_length_b [5.5762]
_cell_length_c [3.4981]
_cel... |
agm005959071 | InLi5Sb3 | data_[Li20In4Sb12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
In 1.7800 1.5500 0.9400
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.7793]
_cell_length_b [6.6236]
_cell_length_c [9.3884]
... |
agm004025416 | AgRuZr | data_[Zr1Ag1Ru1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ag 1.9300 1.6000 1.0867
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.2513]
_cell_length_b [3.2513]
_cell_length_c [6.3534]
_ce... |
agm003644215 | Ag5Ho4Tb | data_[Tb1Ho4Ag5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ho 1.2300 1.7500 1.0410
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5946]
_cell_length_b [3.5946]
_cell_length_c [18.4288]
... |
agm005442756 | CdClFe4 | data_[Cd4Fe16Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Fe 1.8300 1.4000 0.8525
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.2088]
_cell_length_b [7.2088]
_cell_length_c [7.2088]
_... |
agm002091458 | BeLiMg | data_[Li4Mg4Be4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mg 1.3100 1.5000 0.8600
Be 1.5700 1.0500 0.5900
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [4.6025]
_cell_length_b [6.4064]
_cell_length_c [6.3849]
_ce... |
oqmd-5415697 | CaIn5Rh | data_[Ca1In5Rh1]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6747]
_cell_length_b [4.6747]
_cell_length_c [7.5912]
_... |
oqmd-4158086 | SbZr | data_[Zr4Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.8329]
_cell_length_b [5.8329]
_cell_length_c [5.8329]
_cell_angle_alpha [90.0000]
_cell_... |
agm001504602 | AlCu2GeOs | data_[Al1Cu2Ge1Os1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
Ge 2.0100 1.2500 0.7700
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.7048]
_cell_length_b [4... |
agm005696029 | MgPr6Si2 | data_[Pr24Mg4Si8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Mg 1.3100 1.5000 0.8600
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [10.1298]
_cell_length_b [10.1875]
_cell_length_c [10.6158]... |
agm002976796 | Fe2La2Tc | data_[La4Fe4Tc2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Fe 1.8300 1.4000 0.8525
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.5768]
_cell_length_b [6.5768]
_cell_length_c [4.6882]
_... |
agm002067383 | Ge2Se | data_[Ge8Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.2123]
_cell_length_b [3.8598]
_cell_length_c [4.0372]
_cell_angle_alpha [90.0000]
_cell_... |
agm004824120 | PSb2SeTh4 | data_[Th4Sb2P1Se1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Sb 2.0500 1.4500 0.8300
P 2.1900 1.0000 0.5500
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.5327]
_cell_length_b [4.306... |
oqmd-9031252 | AuEuS3Tb | data_[Tb2Eu2Au2S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Eu 1.2000 1.8500 1.1985
Au 2.5400 1.3500 1.0700
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.6352]
_cell_length_b [3.9... |
agm001820778 | Hg12K5Zn3 | data_[K40Zn24Hg96]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Zn 1.6500 1.3500 0.8800
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [18.6656]
_cell_length_b [18.6656]
_cell_length_c [18.6656... |
agm001105584 | BiHTh3 | data_[Th3Bi1H1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Bi 2.0200 1.6000 1.0350
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.0096]
_cell_length_b [5.0096]
_cell_length_c [5.0096]
_cel... |
agm005015310 | CeLaSe2Te | data_[La2Ce2Te2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ce 1.1200 1.8500 1.0800
Te 2.1000 1.4000 1.2933
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.7016]
_cell_length_b [4.7... |
agm003393380 | O2STi2 | data_[Ti4S2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.1769]
_cell_length_b [3.2053]
_cell_length_c [8.9901]
_cell... |
agm002916323 | Cl2Cr2Ir | data_[Cr4Ir2Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Ir 2.2000 1.3500 0.7650
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0334]
_cell_length_b [4.0334]
_cell_length_c [8.9250]
_... |
agm002445946 | Cl3HgOs | data_[Hg1Os1Cl3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
Os 2.2000 1.3000 0.6730
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.2764]
_cell_length_b [5.2764]
_cell_length_c [5.2764]
_c... |
oqmd-4188937 | BeNaTb | data_[Na4Tb4Be4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Tb 1.1000 1.7500 0.9815
Be 1.5700 1.0500 0.5900
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.6829]
_cell_length_b [6.6829]
_cell_length_c [6.6829]
_c... |
agm004550937 | Ag2HoPm2Tl2 | data_[Pm6Ho3Tl6Ag6]
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
Tl 1.6200 1.9000 1.3325
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.8936]
_cell_length_b [4.8... |
agm005852145 | In2NaTe3 | data_[Na4In8Te12]
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
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [14.7024]
_cell_length_b [9.6371]
_cell_length_c [6.2674]
_... |
oqmd-8922442 | CoMn4N2Zn | data_[Mn4Zn1Co1N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Zn 1.6500 1.3500 0.8800
Co 1.8800 1.3500 0.7683
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [2.7829]
_cell_length_b [2.78... |
agm002717337 | AlO2Pt | data_[Al4Pt4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Pt 2.2800 1.3500 0.8050
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.5804]
_cell_length_b [5.5804]
_cell_length_c [5.5804]
_cel... |
agm001269697 | AuBiU | data_[U1Bi1Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Bi 2.0200 1.6000 1.0350
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.1941]
_cell_length_b [5.1941]
_cell_length_c [3.1485]
_cell... |
oqmd-7740898 | CdCu4Hf | data_[Hf4Cd4Cu16]
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
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.0138]
_cell_length_b [7.0138]
_cell_length_c [7.0138]
_... |
agm001574940 | NiRu2SeY | data_[Y1Ni1Ru2Se1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ni 1.9100 1.3500 0.7400
Ru 2.2000 1.3000 0.6610
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6004]
_cell_length_b [4.6... |
agm003334386 | B4Os3Y2 | data_[Y8B16Os12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
B 2.0400 0.8500 0.4100
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.7022]
_cell_length_b [9.1679]
_cell_length_c [9.6734]
_cell... |
agm005179227 | CsHgSTe | data_[Cs2Hg2Te2S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Hg 2.0000 1.5000 1.2450
Te 2.1000 1.4000 1.2933
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.0936]
_cell_length_b [4.7539... |
agm001504574 | Cs2HgLiY | data_[Cs2Li1Y1Hg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Li 0.9800 1.4500 0.9000
Y 1.2200 1.8000 1.0400
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.9826]
_cell_length_b [6.9... |
agm001979766 | FGaTm2 | data_[Tm6Ga3F3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ga 1.8100 1.3000 0.7600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.4622]
_cell_length_b [4.4622]
_cell_length_c [20.5551]
_cel... |
agm004417856 | ReSrZr | data_[Sr1Zr1Re1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Zr 1.3300 1.5500 0.8600
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.9629]
_cell_length_b [4.9629]
_cell_length_c [3.1186]
_ce... |
agm2000137204 | OPaTe | data_[Pa2Te2O2]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.9086]
_cell_length_b [3.9086]
_cell_length_c [20.9378]
_c... |
agm003350649 | H7Rb3Zn2 | data_[Rb6Zn4H14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Zn 1.6500 1.3500 0.8800
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.0501]
_cell_length_b [22.2227]
_cell_length_c [3.9586]
_ce... |
agm001626178 | HMoPtTa2 | data_[Ta2Mo1H1Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Mo 2.1600 1.4500 0.7750
H 2.2000 0.2500 0.0000
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3562]
_cell_length_b [4.3... |
agm005092333 | F6GeLiSb | data_[Li1Ge1Sb1F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ge 2.0100 1.2500 0.7700
Sb 2.0500 1.4500 0.8300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P3]
_cell_length_a [5.7492]
_cell_length_b [5.7492]... |
agm002414792 | BeBiRh3 | data_[Be1Bi1Rh3]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.9233]
_cell_length_b [4.9233]
_cell_length_c [4.9233]
_c... |
agm003650344 | Ce4In5Tm | data_[Ce4Tm1In5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Tm 1.2500 1.7500 1.0950
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.3764]
_cell_length_b [3.3764]
_cell_length_c [23.4905]
... |
agm001307339 | CeGdPdSi | data_[Ce4Gd4Si4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Gd 1.2000 1.8000 1.0750
Si 1.9000 1.1000 0.5400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1492]
_cell_length_b [7.... |
agm004070004 | ClRe2Sr | data_[Sr1Re2Cl1]
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
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.2247]
_cell_length_b [3.2247]
_cell_length_c [8.7297]
_ce... |
agm001807882 | OsPbSbTe2 | data_[Sb1Te2Os1Pb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
Te 2.1000 1.4000 1.2933
Os 2.2000 1.3000 0.6730
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.7274]
_cell_length_b [5... |
agm005898467 | HgPd4Te | data_[Hg4Te4Pd16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
Te 2.1000 1.4000 1.2933
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.7241]
_cell_length_b [3.9239]
_cell_length_c [16.6999]
_... |
oqmd-9206440 | As2MnRe | data_[Mn2Re2As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Re 1.9000 1.3500 0.7125
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [3.3728]
_cell_length_b [5.7875]
_cell_length_c [6.2788]
_... |
agm004548875 | Cd2CePr2Tl2 | data_[Ce3Pr6Tl6Cd6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Pr 1.1300 1.8500 1.0600
Tl 1.6200 1.9000 1.3325
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.1079]
_cell_length_b [5.1... |
agm004875253 | IKO8P2 | data_[K2P4I2O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
P 2.1900 1.0000 0.5500
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.3999]
_cell_length_b [5.3669]
_c... |
agm001692592 | Cl2CsMoS | data_[Cs1Mo1S1Cl2]
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
S 2.5800 1.0000 0.8800
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.1402]
_cell_length_b [6.1... |
agm005612168 | Ga2Sm3Tm | data_[Sm6Tm2Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Tm 1.2500 1.7500 1.0950
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [5.0638]
_cell_length_b [9.5885]
_cell_length_c [6.5778]
_... |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.