Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm004800478 | BeErGa2Ni4 | data_[Er3Be3Ga6Ni12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Be 1.5700 1.0500 0.5900
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.9995]
_cell_length_b [3.... |
agm001829692 | HoSm3 | data_[Sm3Ho1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ho 1.2300 1.7500 1.0410
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.6609]
_cell_length_b [5.7779]
_cell_length_c [6.3302]
_cell_angle_alpha [90.0000]
_cell_a... |
agm003335039 | Cu4Ho2Mg3 | data_[Ho8Mg12Cu16]
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
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [5.7769]
_cell_length_b [16.8572]
_cell_length_c [7.0498]
... |
agm003773847 | GaTi6Tl | data_[Ti6Tl1Ga1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Tl 1.6200 1.9000 1.3325
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0971]
_cell_length_b [4.0971]
_cell_length_c [8.2141]
_... |
oqmd-8695364 | Br6Cs2Ni | data_[Cs4Ni2Br12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ni 1.9100 1.3500 0.7400
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.4886]
_cell_length_b [8.4886]
_cell_length_c [8.6106]
... |
agm002943689 | CdSc2Tc2 | data_[Sc4Cd2Tc4]
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
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.5644]
_cell_length_b [3.5644]
_cell_length_c [16.2311]
... |
agm005505411 | Cs2Sb2Tl | data_[Cs4Tl2Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Tl 1.6200 1.9000 1.3325
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [11.4762]
_cell_length_b [11.4762]
_cell_length_c [3.4277]... |
agm001472869 | CuGaScSe2 | data_[Sc1Ga1Cu1Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9328]
_cell_length_b [4... |
oqmd-2036907 | O14Ru3Sn15 | data_[Sn30Ru6O28]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.5050]
_cell_length_b [7.1455]
_cell_length_c [13.0078]
_ce... |
oqmd-7841710 | Cd2NiO8P2 | data_[Cd2Ni1P2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Ni 1.9100 1.3500 0.7400
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.7916]
_cell_length_b [5.5975]
... |
agm004162138 | CaKZr | data_[K4Ca4Zr4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ca 1.0000 1.8000 1.1400
Zr 1.3300 1.5500 0.8600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.3844]
_cell_length_b [8.3844]
_cell_length_c [8.3844]
_cel... |
agm002943909 | Cr2Ga2Sc | data_[Sc2Cr4Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Cr 1.6600 1.4000 0.9400
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.5931]
_cell_length_b [3.5931]
_cell_length_c [11.8983]
... |
agm002565301 | CoCr3O | data_[Cr3Co1O1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.6803]
_cell_length_b [4.6803]
_cell_length_c [4.6803]
_cel... |
agm002898324 | Cr2RbTi | data_[Rb4Ti4Cr8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ti 1.5400 1.4000 0.8517
Cr 1.6600 1.4000 0.9400
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [5.5171]
_cell_length_b [5.5171]
_cell_length_c [16.9922... |
agm005584713 | Ga5Pt3Pu2 | data_[Pu8Ga20Pt12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Ga 1.8100 1.3000 0.7600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3857]
_cell_length_b [25.0179]
_cell_length_c [6.7706... |
agm003454579 | AuBa4N2 | data_[Ba16Au4N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Au 2.5400 1.3500 1.0700
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2284]
_cell_length_b [13.9541]
_cell_length_c [14.2442]
_c... |
agm003543427 | Fe3Ge3Sc | data_[Sc2Fe6Ge6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Fe 1.8300 1.4000 0.8525
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [7.9933]
_cell_length_b [7.9933]
_cell_length_c [4.1421]
_... |
agm006045704 | Hg8Pb6Tl | data_[Tl3Hg24Pb18]
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
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.3218]
_cell_length_b [9.3218]
_cell_length_c [17.8193]
_... |
agm003362819 | Cl5H2Pr4 | data_[Pr8H4Cl10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
H 2.2000 0.2500 0.0000
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.9629]
_cell_length_b [4.0085]
_cell_length_c [8.6983]
_ce... |
agm004991327 | PrSScTe2 | data_[Pr2Sc2Te4S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Sc 1.3600 1.6000 0.8850
Te 2.1000 1.4000 1.2933
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.3693]
_cell_length_b [4.3... |
oqmd-2352623 | Au2CdSb | data_[Cd4Sb4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Sb 2.0500 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.9870]
_cell_length_b [6.9870]
_cell_length_c [6.9870]
_c... |
agm001837160 | BiInRb | data_[Rb2In2Bi2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
In 1.7800 1.5500 0.9400
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.8876]
_cell_length_b [3.8876]
_cell_length_c [14.7721]
_c... |
agm002106554 | MnNS2 | data_[Mn2S4N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
S 2.5800 1.0000 0.8800
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.0120]
_cell_length_b [3.4183]
_cell_length_c [14.4688]
_cell_... |
agm003857719 | La2RuSr | data_[Sr2La4Ru2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
La 1.1000 1.9500 1.1720
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.7245]
_cell_length_b [3.9271]
_cell_length_c [6.8669]
_cel... |
agm001125254 | Cd2PdZn | data_[Zn1Cd2Pd1]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.2912]
_cell_length_b [3.2912]
_cell_length_c [6.6747]
_... |
agm005650871 | Ag6AlZn2 | data_[Al4Zn8Ag24]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.1036]
_cell_length_b [9.4116]
_cell_length_c [4.6526]
_... |
agm1000003335 | I2V | data_[V1I2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [17.2036]
_cell_length_b [4.1704]
_cell_length_c [17.2036]
_cell_angle_alpha [90.0000]
_cell_angle... |
agm004181640 | Ca2LaOs | data_[Ca2La1Os1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
La 1.1000 1.9500 1.1720
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [3.6633]
_cell_length_b [5.0719]
_cell_length_c [6.0706]
_ce... |
agm002571061 | As3PSn | data_[Sn1As3P1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
As 2.1800 1.1500 0.6600
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.1875]
_cell_length_b [5.1875]
_cell_length_c [5.1875]
_cel... |
agm006090909 | Nd6Pm4Pu | data_[Pm16Nd24Pu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Nd 1.1400 1.8500 1.2765
Pu 1.2800 1.7500 0.9675
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6166]
_cell_length_b [23.8353]
_cell_length_c [17.8404]... |
agm005550279 | Ag2Pd15Zn2 | data_[Zn6Ag6Pd45]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ag 1.9300 1.6000 1.0867
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.0052]
_cell_length_b [9.0052]
_cell_length_c [13.7074]
_... |
agm001689129 | Cl2NbPPb | data_[Nb1P1Pb1Cl2]
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
Pb 2.3300 1.8000 1.1225
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.2916]
_cell_length_b [5.2... |
agm002568079 | BiP3Re | data_[Re1Bi1P3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
Bi 2.0200 1.6000 1.0350
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.6998]
_cell_length_b [4.6998]
_cell_length_c [4.6998]
_cel... |
agm005537553 | Mg6Pm5 | data_[Pm10Mg12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.4193]
_cell_length_b [7.6022]
_cell_length_c [15.9842]
_cell_angle_alpha [90.0000]
_cel... |
agm001110007 | Dy3HgS | data_[Dy3Hg1S1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Hg 2.0000 1.5000 1.2450
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.1499]
_cell_length_b [5.1499]
_cell_length_c [5.1499]
_cel... |
agm004125610 | In2TlZn | data_[Tl1Zn1In2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Zn 1.6500 1.3500 0.8800
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.9403]
_cell_length_b [4.7046]
_cell_length_c [5.6636]
_ce... |
agm001586588 | AlLaNaZn2 | data_[Na1La1Al1Zn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
La 1.1000 1.9500 1.1720
Al 1.6100 1.2500 0.6750
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9638]
_cell_length_b [4... |
agm004717121 | Ba8I4Sb3Si | data_[Ba24Si3Sb9I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Si 1.9000 1.1000 0.5400
Sb 2.0500 1.4500 0.8300
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [10.0604]
_cell_length_b [10... |
agm005508175 | Cu2Li3 | data_[Li24Cu16]
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
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [8.9288]
_cell_length_b [23.7097]
_cell_length_c [2.5893]
_cell_angle_alpha [90.0000]
_cel... |
agm005544151 | Hg4Nd | data_[Nd4Hg16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [4.9354]
_cell_length_b [6.7034]
_cell_length_c [15.4513]
_cell_angle_alpha [90.0000]
_cell... |
oqmd-6442607 | Ta5W24 | data_[Ta10W48]
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 [I-43m]
_cell_length_a [9.9314]
_cell_length_b [9.9314]
_cell_length_c [9.9314]
_cell_angle_alpha [90.0000]
_cell_... |
agm001363858 | AcGaMgPm | data_[Ac4Pm4Mg4Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Pm 1.1300 1.8500 1.1100
Mg 1.3100 1.5000 0.8600
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.7732]
_cell_length_b [7.... |
agm005537463 | Ag6Mg5 | data_[Mg10Ag12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.6336]
_cell_length_b [6.6571]
_cell_length_c [13.7313]
_cell_angle_alpha [90.0000]
_cel... |
agm005985592 | La3LiNi3 | data_[Li4La12Ni12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
La 1.1000 1.9500 1.1720
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0430]
_cell_length_b [10.5241]
_cell_length_c [14.4021]... |
agm001634578 | CuHNb2Ta | data_[Ta1Nb2Cu1H1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Nb 1.6000 1.4500 0.8200
Cu 1.9000 1.3500 0.8200
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0169]
_cell_length_b [4.0... |
agm004471917 | AsCaCl6Cs2 | data_[Cs4Ca2As2Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ca 1.0000 1.8000 1.1400
As 2.1800 1.1500 0.6600
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [7.8503]
_cell_length_b [... |
agm002823447 | CuI2Pd | data_[Cu4Pd4I8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Pd 2.2000 1.4000 0.8462
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [6.1672]
_cell_length_b [6.1672]
_cell_length_c [12.1528]
_ce... |
agm004484663 | CuF6MoRb2 | data_[Rb4Cu2Mo2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Cu 1.9000 1.3500 0.8200
Mo 2.1600 1.4500 0.7750
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [6.0564]
_cell_length_b [6.... |
agm003848400 | AlPtSb2 | data_[Al2Sb4Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Sb 2.0500 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.5916]
_cell_length_b [5.5916]
_cell_length_c [5.8269]
_... |
agm004691308 | Cs3Se8Sm3Zr | data_[Cs9Sm9Zr3Se24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Sm 1.1700 1.8500 1.2290
Zr 1.3300 1.5500 0.8600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.4466]
_cell_length_b [8.... |
agm005053804 | CeNiNpS4 | data_[Ce2Np2Ni2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Np 1.3600 1.7500 1.0000
Ni 1.9100 1.3500 0.7400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.3643]
_cell_length_b [5.8... |
agm005949827 | Ba3ClH5 | data_[Ba12H20Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
H 2.2000 0.2500 0.0000
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3218]
_cell_length_b [14.4659]
_cell_length_c [12.1984]
_... |
agm001803244 | LaNPtTe2 | data_[La1Te2Pt1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Te 2.1000 1.4000 1.2933
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 [6.2537]
_cell_length_b [6.2... |
agm005685777 | Sm4Tb3Y3 | data_[Tb6Sm8Y6]
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
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.8109]
_cell_length_b [13.2069]
_cell_length_c [13.1844]
_ce... |
agm005280570 | Mg14NiTi | data_[Mg28Ti2Ni2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ti 1.5400 1.4000 0.8517
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [10.0187]
_cell_length_b [6.1639]
_cell_length_c [10.9056]
... |
agm003495657 | BiHf6Pb2 | data_[Hf12Bi2Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Bi 2.0200 1.6000 1.0350
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [8.7793]
_cell_length_b [9.2043]
_cell_length_c [5.0995]
_c... |
agm002917805 | Co2TeZr2 | data_[Zr4Co4Te2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Co 1.8800 1.3500 0.7683
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.5804]
_cell_length_b [3.5804]
_cell_length_c [14.8892]
... |
oqmd-3909515 | BeSb | data_[Be4Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [5.5104]
_cell_length_b [3.7785]
_cell_length_c [7.7979]
_cell_angle_alpha [90.0000]
_cell_a... |
agm001272041 | BaInPd | data_[Ba1In1Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
In 1.7800 1.5500 0.9400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.7866]
_cell_length_b [4.7866]
_cell_length_c [4.6466]
_c... |
agm003026612 | Cd2Ge2V | data_[V2Cd4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Cd 1.6900 1.5500 1.0900
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.8087]
_cell_length_b [6.8087]
_cell_length_c [4.2469]
_ce... |
agm005422617 | PbSc4Zn | data_[Sc16Zn4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Zn 1.6500 1.3500 0.8800
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.3149]
_cell_length_b [8.3149]
_cell_length_c [8.3149]
_... |
agm004724414 | Ac3K4NpSe8 | data_[K12Ac9Np3Se24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ac 1.1000 1.9500 1.2600
Np 1.3600 1.7500 1.0000
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.0413]
_cell_length_b [9.0... |
agm001169916 | AgAu4Eu | data_[Eu4Ag4Au16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Ag 1.9300 1.6000 1.0867
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.9358]
_cell_length_b [7.9358]
_cell_length_c [7.9358]
_... |
agm001501411 | CaIPbTi2 | data_[Ca1Ti2Pb1I1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ti 1.5400 1.4000 0.8517
Pb 2.3300 1.8000 1.1225
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.3811]
_cell_length_b [5.3... |
agm003388512 | Ag2Hg2Tm | data_[Tm2Ag4Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ag 1.9300 1.6000 1.0867
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.3372]
_cell_length_b [4.8349]
_cell_length_c [13.6856]
_c... |
agm001287242 | GaGeHgPm | data_[Pm4Ga4Hg4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Ga 1.8100 1.3000 0.7600
Hg 2.0000 1.5000 1.2450
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1979]
_cell_length_b [7.... |
agm005608760 | PmTe2Th | data_[Pm1Th1Te2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
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 [4.4665]
_cell_length_b [4.4665]
_cell_length_c [6.3194]
_... |
oqmd-6142341 | Cu4Dy2Ge4Sm | data_[Sm2Dy4Cu8Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Dy 1.2200 1.7500 1.1310
Cu 1.9000 1.3500 0.8200
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2115]
_cell_length_b [6.6... |
agm002798688 | BeIN2 | data_[Be4I4N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
I 2.6600 1.4000 1.2733
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [4.8177]
_cell_length_b [4.8177]
_cell_length_c [8.5382]
_cell_... |
agm005832037 | AuBa3Br | data_[Ba12Au4Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Au 2.5400 1.3500 1.0700
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.6452]
_cell_length_b [15.4969]
_cell_length_c [12.6398]
... |
oqmd-6587280 | Nb3ScTc2 | data_[Sc1Nb3Tc2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Nb 1.6000 1.4500 0.8200
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.2082]
_cell_length_b [3.2082]
_cell_length_c [10.0810]
_c... |
agm003046297 | BeHgPt3 | data_[Be6Hg6Pt18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Hg 2.0000 1.5000 1.2450
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [7.5397]
_cell_length_b [7.5397]
_cell_length_c [9.5596]
_c... |
agm004638881 | Ba2Cs3PaSe6 | data_[Cs6Ba4Pa2Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ba 0.8900 2.1500 1.4900
Pa 1.5000 1.8000 1.0400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.0789]
_cell_length_b [13... |
agm004286488 | BrMoNi2 | data_[Ni2Mo1Br1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Mo 2.1600 1.4500 0.7750
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [2.9223]
_cell_length_b [4.3675]
_cell_length_c [4.4743]
_ce... |
agm004390596 | BeCl2K | data_[K1Be1Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Be 1.5700 1.0500 0.5900
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.9115]
_cell_length_b [3.6394]
_cell_length_c [6.0033]
_cell_a... |
agm003344733 | Bi5Hg2Na3 | data_[Na12Hg8Bi20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Hg 2.0000 1.5000 1.2450
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [12.9104]
_cell_length_b [15.9794]
_cell_length_c [6.7420]... |
agm004577814 | Cs2F6In2Pb | data_[Cs4In4Pb2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
In 1.7800 1.5500 0.9400
Pb 2.3300 1.8000 1.1225
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7543]
_cell_length_b [6.8... |
agm2000017282 | RuSe3 | data_[Ru2Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ru 2.2000 1.3000 0.6610
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [17.9742]
_cell_length_b [3.8202]
_cell_length_c [9.2528]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1199922 | Ge5Na4O17Sn2 | data_[Na8Sn4Ge10O34]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Sn 1.9600 1.4500 0.8300
Ge 2.0100 1.2500 0.7700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2]
_cell_length_a [7.0844]
_cell_length_b [5.455... |
agm005735983 | F11NiTl2 | data_[Tl8Ni4F44]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Ni 1.9100 1.3500 0.7400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.4037]
_cell_length_b [9.1691]
_cell_length_c [8.8239]
_ce... |
agm2000022952 | IrS2 | data_[Ir2S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ir 2.2000 1.3500 0.7650
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-42_1m]
_cell_length_a [5.3916]
_cell_length_b [5.3916]
_cell_length_c [16.8782]
_cell_angle_alpha [90.0000]
_cell... |
agm2000100921 | PbSnTe2 | data_[Sn2Te4Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Te 2.1000 1.4000 1.2933
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [18.9478]
_cell_length_b [7.7101]
_cell_length_c [6.1798]
... |
agm003669730 | Ho4La7Tb | data_[La14Tb2Ho8]
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
Ho 1.2300 1.7500 1.0410
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.3823]
_cell_length_b [6.0901]
_cell_length_c [9.6564]
_... |
agm001632250 | AsFe2HNi | data_[Fe2Ni1As1H1]
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
As 2.1800 1.1500 0.6600
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6690]
_cell_length_b [3.6... |
agm001654623 | CuHHfLi2 | data_[Li2Hf1Cu1H1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Hf 1.3000 1.5500 0.8500
Cu 1.9000 1.3500 0.8200
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7745]
_cell_length_b [3.7... |
agm001734926 | BaN2NbSe | data_[Ba1Nb1Se1N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Nb 1.6000 1.4500 0.8200
Se 2.5500 1.1500 1.0133
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.2828]
_cell_length_b [4.2... |
agm003007278 | P2PbSe2 | data_[P4Pb2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
P 2.1900 1.0000 0.5500
Pb 2.3300 1.8000 1.1225
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.6551]
_cell_length_b [8.6551]
_cell_length_c [3.3878]
_ce... |
agm004272532 | MoRhSr2 | data_[Sr4Mo2Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Mo 2.1600 1.4500 0.7750
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2140]
_cell_length_b [5.1618]
_cell_length_c [9.3958]
_ce... |
agm003954247 | Ag2IrTa | data_[Ta1Ag2Ir1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Ag 1.9300 1.6000 1.0867
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [2.8809]
_cell_length_b [5.0712]
_cell_length_c [4.6897]
_ce... |
agm002883748 | ISW2 | data_[W8S4I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
W 2.3600 1.3500 0.7667
S 2.5800 1.0000 0.8800
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [4.5234]
_cell_length_b [4.5234]
_cell_length_c [15.9526]
_cell_a... |
agm004169811 | In2IrTe | data_[In4Te2Ir2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Te 2.1000 1.4000 1.2933
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.6124]
_cell_length_b [3.5766]
_cell_length_c [6.3594]
_cell... |
agm004650624 | Dy6Nd3Pm2Tl | data_[Pm4Nd6Dy12Tl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Nd 1.1400 1.8500 1.2765
Dy 1.2200 1.7500 1.1310
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1617]
_cell_length_b [10... |
agm001636081 | Ba2InPdSn | data_[Ba2In1Sn1Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
In 1.7800 1.5500 0.9400
Sn 1.9600 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.1436]
_cell_length_b [6... |
agm004173687 | Br2NiPb | data_[Ni2Pb2Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Pb 2.3300 1.8000 1.1225
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.7845]
_cell_length_b [5.7845]
_cell_length_c [6.7520]
_... |
agm002828670 | AsFe2W | data_[Fe8As4W4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
As 2.1800 1.1500 0.6600
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.2850]
_cell_length_b [5.2850]
_cell_length_c [10.5019]
_ce... |
oqmd-3056351 | F2OSn2 | data_[Sn8O4F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [6.7382]
_cell_length_b [6.7382]
_cell_length_c [11.9836]
_c... |
agm005998419 | Ir2PdZn4 | data_[Zn8Ir4Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ir 2.2000 1.3500 0.7650
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [6.0444]
_cell_length_b [6.0444]
_cell_length_c [5.9629]
_... |
oqmd-7067722 | NNpORb | data_[Rb1Np1N1O1]
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
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8086]
_cell_length_b [3.808... |
agm002770128 | FNSe2 | data_[Se6N3F3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Se 2.5500 1.1500 1.0133
N 3.0400 0.6500 0.6300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.6707]
_cell_length_b [3.6707]
_cell_length_c [20.7408]
_cell_... |
agm004019030 | ClPW2 | data_[P2W4Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
P 2.1900 1.0000 0.5500
W 2.3600 1.3500 0.7667
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.4134]
_cell_length_b [3.1471]
_cell_length_c [5.1135]
_cell_ang... |
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