Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm002221852 | GeMn2Ni | data_[Mn8Ni4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.7006]
_cell_length_b [5.7006]
_cell_length_c [5.7006]
_c... |
agm003638474 | Ni4Ti5V | data_[Ti5V1Ni4]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.0261]
_cell_length_b [3.0261]
_cell_length_c [15.2056]
_c... |
agm005653378 | Cu3H2I4 | data_[Cu3H2I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
H 2.2000 0.2500 0.0000
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.2698]
_cell_length_b [6.4669]
_cell_length_c [7.6921]
_cell_an... |
oqmd-3275860 | HfInMnV | data_[Hf4Mn4V4In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Mn 1.5500 1.4000 0.6483
V 1.6300 1.3500 0.7775
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.4226]
_cell_length_b [6.42... |
oqmd-5607384 | In5Ni2Tm4 | data_[Tm4In5Ni2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
In 1.7800 1.5500 0.9400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.6485]
_cell_length_b [3.5250]
_cell_length_c [9.3783]
_ce... |
agm002330043 | As2RhTm | data_[Tm4As8Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
As 2.1800 1.1500 0.6600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9726]
_cell_length_b [16.2915]
_cell_length_c [4.8089]
_c... |
agm001186875 | Cr4SnV | data_[V4Cr16Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Cr 1.6600 1.4000 0.9400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.8530]
_cell_length_b [6.8530]
_cell_length_c [6.8530]
_ce... |
agm001844473 | BaPrTb | data_[Ba2Tb2Pr2]
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
Pr 1.1300 1.8500 1.0600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.8282]
_cell_length_b [3.8282]
_cell_length_c [16.7421]
_c... |
agm003633255 | ReRuTa2 | data_[Ta2Re1Ru1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Re 1.9000 1.3500 0.7125
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.1938]
_cell_length_b [3.1938]
_cell_length_c [6.3534]
_... |
agm003556217 | Sc4SmY3 | data_[Sm2Y6Sc8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Y 1.2200 1.8000 1.0400
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [10.8402]
_cell_length_b [7.0125]
_cell_length_c [6.0262]
_c... |
agm004038888 | ClIn2Mg | data_[Mg2In4Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
In 1.7800 1.5500 0.9400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.4626]
_cell_length_b [4.4626]
_cell_length_c [10.8272]
_... |
oqmd-5324497 | LiO3Sb | data_[Li6Sb6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3c]
_cell_length_a [5.1277]
_cell_length_b [5.1277]
_cell_length_c [13.6017]
_cel... |
agm003793667 | NiPW2 | data_[Ni2P2W4]
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
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.4811]
_cell_length_b [3.2921]
_cell_length_c [9.5493]
_cell_a... |
oqmd-9065751 | CRe2STe | data_[Re2Te1C1S1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
Te 2.1000 1.4000 1.2933
C 2.5500 0.7000 0.3000
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.3891]
_cell_length_b [3.3891]... |
agm001734707 | IMnN2Se | data_[Mn1Se1I1N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Se 2.5500 1.1500 1.0133
I 2.6600 1.4000 1.2733
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9133]
_cell_length_b [3.913... |
agm005992015 | GaMg3Rh3 | data_[Mg12Ga4Rh12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ga 1.8100 1.3000 0.7600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.4206]
_cell_length_b [8.9904]
_cell_length_c [6.1528]
_... |
agm002625753 | LaTaZn3 | data_[La1Ta1Zn3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ta 1.5000 1.4500 0.8200
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.1781]
_cell_length_b [5.1781]
_cell_length_c [5.1781]
_c... |
agm005929488 | Mg2O4Pu | data_[Pu2Mg4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Mg 1.3100 1.5000 0.8600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.0117]
_cell_length_b [3.5723]
_cell_length_c [5.3148]
_cel... |
oqmd-9607212 | CaCuNO | data_[Ca2Cu2N2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Cu 1.9000 1.3500 0.8200
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.8748]
_cell_length_b [3.874... |
agm004594575 | Ag3Er2GeSe6 | data_[Er4Ag6Ge2Se12]
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
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 [17.8362]
_cell_length_b [4... |
mp-1203080 | AlF3K2O4S | data_[K8Al4S4O16F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Al 1.6100 1.2500 0.6750
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pbcn]
_cell_length_a [1... |
agm004475872 | Cs2F6PbTl | data_[Cs8Tl4Pb4F24]
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
Pb 2.3300 1.8000 1.1225
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.7011]
_cell_length_b [9.7... |
agm002056485 | Co2CuIn | data_[In2Co4Cu2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Co 1.8800 1.3500 0.7683
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.7753]
_cell_length_b [4.2733]
_cell_length_c [5.3500]
_cell... |
agm001123223 | NiTbY2 | data_[Tb1Y2Ni1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Y 1.2200 1.8000 1.0400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.4496]
_cell_length_b [3.4496]
_cell_length_c [8.7388]
_ce... |
oqmd-3777130 | HoMoRb | data_[Rb4Ho4Mo4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ho 1.2300 1.7500 1.0410
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.5343]
_cell_length_b [7.5343]
_cell_length_c [7.5343]
_c... |
agm005085840 | AcBr6CaK | data_[K2Ca2Ac2Br12]
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
Ac 1.1000 1.9500 1.2600
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [7.7761]
_cell_length_b [7.7... |
agm001665991 | Cr2HMnNi | data_[Mn1Cr2Ni1H1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Cr 1.6600 1.4000 0.9400
Ni 1.9100 1.3500 0.7400
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6581]
_cell_length_b [3.6... |
agm003695816 | Cu6NdZn6 | data_[Nd2Zn12Cu12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.9423]
_cell_length_b [8.7650]
_cell_length_c [8.8855]
_... |
agm002005237 | GdSr2Zn | data_[Sr6Gd3Zn3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Gd 1.2000 1.8000 1.0750
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.8439]
_cell_length_b [3.8439]
_cell_length_c [36.1805]
_c... |
agm002913344 | As2BrC2 | data_[As4C4Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
As 2.1800 1.1500 0.6600
C 2.5500 0.7000 0.3000
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.5795]
_cell_length_b [3.5795]
_cell_length_c [12.9542]
_c... |
agm004417526 | Re2SiW | data_[Re6Si3W3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
Si 1.9000 1.1000 0.5400
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.8417]
_cell_length_b [2.8417]
_cell_length_c [25.3918]
_cel... |
agm005484158 | In4MnSr | data_[Sr4Mn4In16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Mn 1.5500 1.4000 0.6483
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.6664]
_cell_length_b [8.6664]
_cell_length_c [8.6664]
_... |
agm001657780 | InLiNaPb2 | data_[Na1Li1In1Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Li 0.9800 1.4500 0.9000
In 1.7800 1.5500 0.9400
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.2289]
_cell_length_b [5... |
agm001844004 | ErPrZr | data_[Pr2Er2Zr2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Er 1.2400 1.7500 1.0300
Zr 1.3300 1.5500 0.8600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.4070]
_cell_length_b [3.4070]
_cell_length_c [15.1686]
_c... |
agm001088143 | CaPrSr2 | data_[Sr8Ca4Pr4]
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
Pr 1.1300 1.8500 1.0600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.9498]
_cell_length_b [8.9498]
_cell_length_c [8.9498]
_c... |
agm005852017 | Dy2ErTm7 | data_[Dy4Er2Tm14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Er 1.2400 1.7500 1.0300
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.3149]
_cell_length_b [5.4759]
_cell_length_c [6.9687]
_... |
agm005080727 | MoO6SbSc | data_[Sc2Sb2Mo2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Sb 2.0500 1.4500 0.8300
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [5.3678]
_cell_length_b [5.3... |
mp-1201206 | H6Li2O6P | data_[Li32P16H96O96]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
P 2.1900 1.0000 0.5500
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Ia-3]
_cell_length_a [12.8235]
_cell_length_b [12.8... |
agm001814438 | MnPu2Sc | data_[Pu2Sc1Mn1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Sc 1.3600 1.6000 0.8850
Mn 1.5500 1.4000 0.6483
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.1915]
_cell_length_b [3.1915]
_cell_length_c [8.6131]
_... |
agm005444540 | Ca2Tc | data_[Ca8Tc4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.0483]
_cell_length_b [17.2121]
_cell_length_c [5.3987]
_cell_angle_alpha [90.0000]
_cell_... |
agm001247352 | FPmSb2 | data_[Pm1Sb2F1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Sb 2.0500 1.4500 0.8300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1585]
_cell_length_b [4.1585]
_cell_length_c [5.4400]
_ce... |
agm001098441 | EuIr2Sm | data_[Sm4Eu4Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Eu 1.2000 1.8500 1.1985
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0057]
_cell_length_b [7.0057]
_cell_length_c [7.0057]
_c... |
agm001257921 | Ac12N5Tc3 | data_[Ac96Tc24N40]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Tc 1.9000 1.3500 0.7417
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [16.6886]
_cell_length_b [16.6886]
_cell_length_c [16.6886... |
agm004846863 | DyHo2P4Pa | data_[Dy1Ho2Pa1P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ho 1.2300 1.7500 1.0410
Pa 1.5000 1.8000 1.0400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8847]
_cell_length_b [3.988... |
agm004996475 | BeCeLiN2 | data_[Li2Ce2Be2N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ce 1.1200 1.8500 1.0800
Be 1.5700 1.0500 0.5900
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [5.3287]
_cell_length_b [3.785... |
agm004999002 | AcLaPm2Sm | data_[Ac4La4Pm8Sm4]
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
Sm 1.1700 1.8500 1.2290
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [8.5563]
_cell_length_b [12.... |
agm005567312 | Se2Tb5Tl2 | data_[Tb20Tl8Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Tl 1.6200 1.9000 1.3325
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [15.0290]
_cell_length_b [8.0205]
_cell_length_c [8.0320]
_... |
agm003752846 | CoSn4Zn | data_[Zn4Co4Sn16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Co 1.8800 1.3500 0.7683
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.5772]
_cell_length_b [12.6543]
_cell_length_c [5.7412]
_... |
oqmd-6466908 | Cu2GePSr | data_[Sr2Cu4Ge2P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cu 1.9000 1.3500 0.8200
Ge 2.0100 1.2500 0.7700
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.1939]
_cell_length_b [4.193... |
agm002858086 | In2NY | data_[Y4In8N4]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [8.7257]
_cell_length_b [8.7257]
_cell_length_c [4.6921]
_cell_... |
agm006084083 | Cd6In5Li | data_[Li2Cd12In10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cd 1.6900 1.5500 1.0900
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4967]
_cell_length_b [9.7170]
_cell_length_c [5.6553]
... |
agm004099097 | CrTc2Y | data_[Y2Cr2Tc4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Cr 1.6600 1.4000 0.9400
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.5673]
_cell_length_b [8.9022]
_cell_length_c [2.8391]
_cell... |
agm004308453 | MoRe2Ta | data_[Ta2Re4Mo2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Re 1.9000 1.3500 0.7125
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.1667]
_cell_length_b [4.5101]
_cell_length_c [8.9121]
_ce... |
agm001309696 | AgAlRuTm | data_[Tm4Al4Ag4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Al 1.6100 1.2500 0.6750
Ag 1.9300 1.6000 1.0867
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.5707]
_cell_length_b [6.... |
agm003962006 | AsOsRu | data_[As1Os1Ru1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
As 2.1800 1.1500 0.6600
Os 2.2000 1.3000 0.6730
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [2.8670]
_cell_length_b [2.8670]
_cell_length_c [6.1393]
_ce... |
agm002202540 | CMgMo2Si2 | data_[Mg1Si2Mo2C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Si 1.9000 1.1000 0.5400
Mo 2.1600 1.4500 0.7750
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.2188]
_cell_length_b [4.2... |
agm001552468 | CoHg2OTe | data_[Co1Hg2Te1O1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Hg 2.0000 1.5000 1.2450
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.6175]
_cell_length_b [5.6... |
agm004906100 | Ce2KO8Tc | data_[K1Ce2Tc1O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ce 1.1200 1.8500 1.0800
Tc 1.9000 1.3500 0.7417
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.0623]
_cell_length_b [7.1298]... |
mp-1203799 | O21PbS6Ti | data_[Ti4Pb4S24O84]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Pb 2.3300 1.8000 1.1225
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.2296]
_cell_length_b [13.... |
agm001425367 | AgCdHfSc2 | data_[Hf1Sc2Cd1Ag1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Sc 1.3600 1.6000 0.8850
Cd 1.6900 1.5500 1.0900
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.2296]
_cell_length_b [5... |
agm002485272 | BiGeRu3 | data_[Ge1Bi1Ru3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
Bi 2.0200 1.6000 1.0350
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.0205]
_cell_length_b [5.0205]
_cell_length_c [5.0205]
_c... |
agm005555013 | Ho3In2Tm2 | data_[Ho6Tm4In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Tm 1.2500 1.7500 1.0950
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.9509]
_cell_length_b [23.1563]
_cell_length_c [3.4261]
_c... |
oqmd-5268128 | GaOPPa | data_[Pa2Ga2P2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Ga 1.8100 1.3000 0.7600
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.9207]
_cell_length_b [6.882... |
agm002549752 | CdNaPb3 | data_[Na1Cd1Pb3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Cd 1.6900 1.5500 1.0900
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.7599]
_cell_length_b [5.7599]
_cell_length_c [5.7599]
_c... |
agm004000343 | ClMgNi | data_[Mg4Ni4Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ni 1.9100 1.3500 0.7400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.0284]
_cell_length_b [6.0284]
_cell_length_c [6.0284]
_c... |
agm003950355 | LiOsTc2 | data_[Li2Tc4Os2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Tc 1.9000 1.3500 0.7417
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.0344]
_cell_length_b [4.2198]
_cell_length_c [8.5250]
_ce... |
agm004294088 | Co2HgTl | data_[Tl2Co4Hg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Co 1.8800 1.3500 0.7683
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.5202]
_cell_length_b [3.0820]
_cell_length_c [7.2287]
_ce... |
agm002790320 | Al2FeSi | data_[Al8Fe4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [8.8559]
_cell_length_b [8.8559]
_cell_length_c [4.2630]... |
agm001020529 | AuCdCe | data_[Ce6Cd6Au6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Cd 1.6900 1.5500 1.0900
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [14.0909]
_cell_length_b [3.9376]
_cell_length_c [7.9700]
_c... |
agm002329891 | AsPuSn | data_[Pu2Sn2As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Sn 1.9600 1.4500 0.8300
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.1951]
_cell_length_b [4.1951]
_cell_length_c [8.7691]
_... |
oqmd-5588718 | CsDyFeTe3 | data_[Cs4Dy4Fe4Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Dy 1.2200 1.7500 1.1310
Fe 1.8300 1.4000 0.8525
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.6863]
_cell_length_b [4... |
agm001469117 | FI2OsRu | data_[Os1Ru1I2F1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Os 2.2000 1.3000 0.6730
Ru 2.2000 1.3000 0.6610
I 2.6600 1.4000 1.2733
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.4076]
_cell_length_b [5.407... |
agm004375614 | CrP2Sb | data_[Cr2Sb2P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Sb 2.0500 1.4500 0.8300
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6075]
_cell_length_b [3.1305]
_cell_length_c [5.9484]
_cell... |
agm005861420 | Er4TbY2 | data_[Tb2Y4Er8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Y 1.2200 1.8000 1.0400
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.2132]
_cell_length_b [3.5929]
_cell_length_c [19.9005]
_cell_... |
agm005092101 | Cl6KUV | data_[K2U2V2Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
U 1.3800 1.7500 0.9913
V 1.6300 1.3500 0.7775
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [6.7887]
_cell_length_b [6.7887]... |
agm002282625 | Au3FeK2 | data_[K4Fe2Au6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Fe 1.8300 1.4000 0.8525
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.6758]
_cell_length_b [6.6847]
_cell_length_c [8.4624]
_cell... |
agm002926457 | Ba2InLa2 | data_[Ba4La4In2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
La 1.1000 1.9500 1.1720
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.4972]
_cell_length_b [4.4972]
_cell_length_c [22.4211]
... |
agm003743611 | ErN4W | data_[Er4W4N16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
W 2.3600 1.3500 0.7667
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.0958]
_cell_length_b [6.3395]
_cell_length_c [7.2459]
_cell_... |
agm004386157 | In2IrNi | data_[In4Ni2Ir2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Ni 1.9100 1.3500 0.7400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.9960]
_cell_length_b [3.0676]
_cell_length_c [4.6322]
_cell... |
agm005694632 | Cl3Os2Th4 | data_[Th4Os2Cl3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Os 2.2000 1.3000 0.6730
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.1491]
_cell_length_b [4.1491]
_cell_length_c [18.0339]
_... |
agm004591569 | Ga2Nd2Pt7Tb | data_[Tb2Nd4Ga4Pt14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Nd 1.1400 1.8500 1.2765
Ga 1.8100 1.3000 0.7600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.8399]
_cell_length_b [5.... |
agm003348037 | Ga3H2Rh6 | data_[Ga6H4Rh12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
H 2.2000 0.2500 0.0000
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8381]
_cell_length_b [3.8381]
_cell_length_c [19.4475]
_... |
oqmd-2311900 | AgGeZn2 | data_[Zn8Ag4Ge4]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.5273]
_cell_length_b [6.5273]
_cell_length_c [6.5273]
_c... |
agm006016468 | BaSe8Sn6 | data_[Ba1Sn6Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sn 1.9600 1.4500 0.8300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [10.7886]
_cell_length_b [10.7886]
_cell_length_c [4.3852]
_c... |
agm005965858 | NdTb6Y3 | data_[Tb18Nd3Y9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Nd 1.1400 1.8500 1.2765
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [9.8785]
_cell_length_b [9.8785]
_cell_length_c [11.7458]
_cel... |
agm005041515 | GeTe3TlV | data_[Tl2V2Ge2Te6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
V 1.6300 1.3500 0.7775
Ge 2.0100 1.2500 0.7700
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.8047]
_cell_length_b [4.0... |
agm005800456 | La3NdSb2 | data_[La3Nd1Sb2]
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
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.6722]
_cell_length_b [4.6722]
_cell_length_c [9.0466]
_c... |
oqmd-9692197 | OPTeZn | data_[Zn2Te2P2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Te 2.1000 1.4000 1.2933
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.4783]
_cell_length_b [7.133... |
agm001948659 | BePa2Te | data_[Pa6Be3Te3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Be 1.5700 1.0500 0.5900
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.0742]
_cell_length_b [4.0742]
_cell_length_c [20.8446]
_c... |
agm004472804 | AuCl6Cs2Ta | data_[Cs8Ta4Au4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ta 1.5000 1.4500 0.8200
Au 2.5400 1.3500 1.0700
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.2799]
_cell_length_b [... |
agm001458334 | Co2FFeRu | data_[Fe1Co2Ru1F1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Co 1.8800 1.3500 0.7683
Ru 2.2000 1.3000 0.6610
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0851]
_cell_length_b [4.0... |
agm003525634 | BiCl8V2 | data_[V4Bi2Cl16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Bi 2.0200 1.6000 1.0350
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9367]
_cell_length_b [8.9635]
_cell_length_c [6.7651]
_ce... |
agm003082183 | BaCsI3 | data_[Cs2Ba2I6]
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
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.1315]
_cell_length_b [7.7876]
_cell_length_c [18.4506]
_cel... |
agm004352461 | SiTl2Zr | data_[Zr2Tl4Si2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Tl 1.6200 1.9000 1.3325
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [4.0976]
_cell_length_b [4.9375]
_cell_length_c [9.6311]
_ce... |
agm004511705 | Au4Ge3Sr2Tm | data_[Sr2Tm1Ge3Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Tm 1.2500 1.7500 1.0950
Ge 2.0100 1.2500 0.7700
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.4670]
_cell_length_b [4.... |
agm006003905 | Br8Nd3Rb | data_[Rb3Nd9Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Nd 1.1400 1.8500 1.2765
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.1579]
_cell_length_b [8.1579]
_cell_length_c [26.0489]
_... |
agm001359017 | InLuNiPr | data_[Pr4Lu4In4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Lu 1.2700 1.7500 1.0010
In 1.7800 1.5500 0.9400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.2873]
_cell_length_b [7.... |
agm004274726 | MoTe2Y | data_[Y2Te4Mo2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Te 2.1000 1.4000 1.2933
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.6269]
_cell_length_b [4.9115]
_cell_length_c [10.9289]
_cel... |
agm004877123 | CdGaO8P2 | data_[Cd2Ga2P4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Ga 1.8100 1.3000 0.7600
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [6.8563]
_cell_length_b [6.856... |
agm2000114784 | Br4Hg3 | data_[Hg3Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [5.7911]
_cell_length_b [22.1773]
_cell_length_c [5.2957]
_cell_angle_alpha [90.0000]
_cell_... |
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