material_id stringlengths 4 18 | formula_reduced stringlengths 1 18 | CIF stringlengths 763 1.78k |
|---|---|---|
alex<agm002225164> | Na(MnSe2)3 | _symmetry_space_group_name_H-M [P-3m1]
data_[Na1Mn3Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Mn 1.5500 1.4000 0.6483
Se 2.5500 1.1500 1.0133
]
_cell_length_a [3.6138]
_cell_length_b [3.6138]
_cell_length_c [18.7681]
_... |
mp-623108 | Eu4Ir | _symmetry_space_group_name_H-M [I4_1/amd]
data_[Eu16Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Ir 2.2000 1.3500 0.7650
]
_cell_length_a [9.1614]
_cell_length_b [9.1614]
_cell_length_c [8.4426]
_cell_angle_alpha [90.0000]
_c... |
alex<agm003334146> | Na2Sb3Pt4 | _symmetry_space_group_name_H-M [Cmce]
data_[Na8Sb12Pt16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Sb 2.0500 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_cell_length_a [6.5085]
_cell_length_b [16.1204]
_cell_length_c [7.2006]
... |
alex<agm004797468> | Sc4ZnCu2Ni | _symmetry_space_group_name_H-M [R-3m]
data_[Sc12Zn3Cu6Ni3]
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
Cu 1.9000 1.3500 0.8200
Ni 1.9100 1.3500 0.7400
]
_cell_length_a [4.5938]
_cell_length_b [4.... |
alex<agm003399660> | Dy2HoZn2 | _symmetry_space_group_name_H-M [Cmc2_1]
data_[Dy8Ho4Zn8]
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
Zn 1.6500 1.3500 0.8800
]
_cell_length_a [5.3039]
_cell_length_b [15.1796]
_cell_length_c [6.1177]
... |
alex<agm004678258> | Rb3CuPb2Cl9 | _symmetry_space_group_name_H-M [P-3m1]
data_[Rb3Cu1Pb2Cl9]
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
Pb 2.3300 1.8000 1.1225
Cl 3.1600 1.0000 0.7800
]
_cell_length_a [7.6030]
_cell_length_b [7.... |
alex<agm002079754> | MgHSe | _symmetry_space_group_name_H-M [C2]
data_[Mg4H4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
H 2.2000 0.2500 0.0000
Se 2.5500 1.1500 1.0133
]
_cell_length_a [7.5626]
_cell_length_b [4.3745]
_cell_length_c [8.9328]
_cell_a... |
alex<agm004553668> | Na2Sr(HgBi)2 | _symmetry_space_group_name_H-M [R-3m]
data_[Na6Sr3Hg6Bi6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Sr 0.9500 2.0000 1.3200
Hg 2.0000 1.5000 1.2450
Bi 2.0200 1.6000 1.0350
]
_cell_length_a [5.1180]
_cell_length_b [5.1... |
alex<agm004628476> | K3Y2HfSe6 | _symmetry_space_group_name_H-M [C2/m]
data_[K6Y4Hf2Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Y 1.2200 1.8000 1.0400
Hf 1.3000 1.5500 0.8500
Se 2.5500 1.1500 1.0133
]
_cell_length_a [7.1104]
_cell_length_b [12.309... |
alex<agm002607349> | Ba3SrAu | _symmetry_space_group_name_H-M [Pm-3m]
data_[Ba3Sr1Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sr 0.9500 2.0000 1.3200
Au 2.5400 1.3500 1.0700
]
_cell_length_a [6.5439]
_cell_length_b [6.5439]
_cell_length_c [6.5439]
_c... |
alex<agm005145627> | KLa2IrO5 | _symmetry_space_group_name_H-M [P4/mbm]
data_[K2La4Ir2O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
La 1.1000 1.9500 1.1720
Ir 2.2000 1.3500 0.7650
O 3.4400 0.6000 1.2600
]
_cell_length_a [7.0183]
_cell_length_b [7.01... |
alex<agm004644914> | Li3Ho(TmTe3)2 | _symmetry_space_group_name_H-M [C2/m]
data_[Li6Ho2Tm4Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ho 1.2300 1.7500 1.0410
Tm 1.2500 1.7500 1.0950
Te 2.1000 1.4000 1.2933
]
_cell_length_a [7.4643]
_cell_length_b [12... |
alex<agm003396607> | La(SmCd)2 | _symmetry_space_group_name_H-M [Cmc2_1]
data_[La4Sm8Cd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sm 1.1700 1.8500 1.2290
Cd 1.6900 1.5500 1.0900
]
_cell_length_a [5.4902]
_cell_length_b [16.2464]
_cell_length_c [6.6494]
... |
alex<agm003784623> | CdHg2Au | _symmetry_space_group_name_H-M [Pm]
data_[Cd1Hg2Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Hg 2.0000 1.5000 1.2450
Au 2.5400 1.3500 1.0700
]
_cell_length_a [3.7560]
_cell_length_b [4.2787]
_cell_length_c [5.8051]
_cell... |
alex<agm003435141> | NdAl2Pd3 | _symmetry_space_group_name_H-M [Cmcm]
data_[Nd4Al8Pd12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Al 1.6100 1.2500 0.6750
Pd 2.2000 1.4000 0.8462
]
_cell_length_a [9.9455]
_cell_length_b [8.2389]
_cell_length_c [5.4853]
_c... |
alex<agm003481044> | Os(RuRh3)2 | _symmetry_space_group_name_H-M [C2/m]
data_[Os2Ru4Rh12]
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
Rh 2.2800 1.3500 0.7450
]
_cell_length_a [8.5881]
_cell_length_b [3.8388]
_cell_length_c [8.1434]
_c... |
alex<agm002129030> | InSBr2 | _symmetry_space_group_name_H-M [C2]
data_[In4S4Br8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
S 2.5800 1.0000 0.8800
Br 2.9600 1.1500 0.8825
]
_cell_length_a [6.2611]
_cell_length_b [14.1168]
_cell_length_c [6.2626]
_cell_... |
alex<agm003397706> | Ag2AsS2 | _symmetry_space_group_name_H-M [C2/m]
data_[Ag8As4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
As 2.1800 1.1500 0.6600
S 2.5800 1.0000 0.8800
]
_cell_length_a [14.0947]
_cell_length_b [4.0137]
_cell_length_c [9.0210]
_cel... |
alex<agm003516144> | Hg2Pd8Au | _symmetry_space_group_name_H-M [C2/m]
data_[Hg4Pd16Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
Pd 2.2000 1.4000 0.8462
Au 2.5400 1.3500 1.0700
]
_cell_length_a [14.4770]
_cell_length_b [4.0608]
_cell_length_c [6.4963]
_... |
alex<agm004776854> | CsY2MgTe4 | _symmetry_space_group_name_H-M [Cmcm]
data_[Cs4Y8Mg4Te16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Y 1.2200 1.8000 1.0400
Mg 1.3100 1.5000 0.8600
Te 2.1000 1.4000 1.2933
]
_cell_length_a [4.5071]
_cell_length_b [15.8... |
alex<agm003650804> | Ca4ErHg5 | _symmetry_space_group_name_H-M [P4/mmm]
data_[Ca4Er1Hg5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Er 1.2400 1.7500 1.0300
Hg 2.0000 1.5000 1.2450
]
_cell_length_a [3.7813]
_cell_length_b [3.7813]
_cell_length_c [18.7579]
... |
alex<agm004851487> | BaAl(AuSe2)2 | _symmetry_space_group_name_H-M [I222]
data_[Ba2Al2Au4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Al 1.6100 1.2500 0.6750
Au 2.5400 1.3500 1.0700
Se 2.5500 1.1500 1.0133
]
_cell_length_a [6.9752]
_cell_length_b [7.3... |
alex<agm004741873> | Pr2SmDy2Tm | _symmetry_space_group_name_H-M [Pmma]
data_[Pr4Sm2Dy4Tm2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Sm 1.1700 1.8500 1.2290
Dy 1.2200 1.7500 1.1310
Tm 1.2500 1.7500 1.0950
]
_cell_length_a [7.0642]
_cell_length_b [5.7... |
alex<agm003192245> | Sc2InHg | _symmetry_space_group_name_H-M [P4/mmm]
data_[Sc2In1Hg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
In 1.7800 1.5500 0.9400
Hg 2.0000 1.5000 1.2450
]
_cell_length_a [3.5581]
_cell_length_b [3.5581]
_cell_length_c [7.0912]
_... |
mp-1185254 | LiYb2In | _symmetry_space_group_name_H-M [Fm-3m]
data_[Li4Yb8In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Yb 1.1000 1.7500 1.0840
In 1.7800 1.5500 0.9400
]
_cell_length_a [7.6736]
_cell_length_b [7.6736]
_cell_length_c [7.6736]
_c... |
alex<agm001836045> | TmLuNi | _symmetry_space_group_name_H-M [I4mm]
data_[Tm2Lu2Ni2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Lu 1.2700 1.7500 1.0010
Ni 1.9100 1.3500 0.7400
]
_cell_length_a [3.3462]
_cell_length_b [3.3462]
_cell_length_c [12.1539]
_c... |
alex<agm001611378> | LiRh2AuN | _symmetry_space_group_name_H-M [P4/mmm]
data_[Li1Rh2Au1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Rh 2.2800 1.3500 0.7450
Au 2.5400 1.3500 1.0700
N 3.0400 0.6500 0.6300
]
_cell_length_a [3.9590]
_cell_length_b [3.9... |
alex<agm003598248> | SrMgIn | _symmetry_space_group_name_H-M [C2/m]
data_[Sr4Mg4In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Mg 1.3100 1.5000 0.8600
In 1.7800 1.5500 0.9400
]
_cell_length_a [11.9398]
_cell_length_b [5.1261]
_cell_length_c [8.2167]
_c... |
alex<agm004871043> | NdHf2ZrN4 | _symmetry_space_group_name_H-M [Imma]
data_[Nd4Hf8Zr4N16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Hf 1.3000 1.5500 0.8500
Zr 1.3300 1.5500 0.8600
N 3.0400 0.6500 0.6300
]
_cell_length_a [6.6051]
_cell_length_b [6.69... |
alex<agm002171734> | MnCdO3 | _symmetry_space_group_name_H-M [R-3]
data_[Mn6Cd6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Cd 1.6900 1.5500 1.0900
O 3.4400 0.6000 1.2600
]
_cell_length_a [5.2191]
_cell_length_b [5.2191]
_cell_length_c [15.0997]
_cel... |
alex<agm003480600> | NaGa5Ir2 | _symmetry_space_group_name_H-M [Immm]
data_[Na2Ga10Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ga 1.8100 1.3000 0.7600
Ir 2.2000 1.3500 0.7650
]
_cell_length_a [3.7166]
_cell_length_b [7.4350]
_cell_length_c [10.5339]
_... |
alex<agm001147728> | PrLuTl2 | _symmetry_space_group_name_H-M [P4/mmm]
data_[Pr1Lu1Tl2]
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
Tl 1.6200 1.9000 1.3325
]
_cell_length_a [3.8184]
_cell_length_b [3.8184]
_cell_length_c [7.7903]
_... |
alex<agm005027397> | LaPrSm3Tm | _symmetry_space_group_name_H-M [P2_1/m]
data_[La2Pr2Sm6Tm2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pr 1.1300 1.8500 1.0600
Sm 1.1700 1.8500 1.2290
Tm 1.2500 1.7500 1.0950
]
_cell_length_a [8.1125]
_cell_length_b [5... |
alex<agm002349323> | YbCoP | _symmetry_space_group_name_H-M [P-6m2]
data_[Yb1Co1P1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Co 1.8800 1.3500 0.7683
P 2.1900 1.0000 0.5500
]
_cell_length_a [3.8044]
_cell_length_b [3.8044]
_cell_length_c [4.1690]
_cel... |
alex<agm003171092> | LiSbAu2 | _symmetry_space_group_name_H-M [I4/mmm]
data_[Li2Sb2Au4]
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
Au 2.5400 1.3500 1.0700
]
_cell_length_a [4.3655]
_cell_length_b [4.3655]
_cell_length_c [8.0155]
_... |
alex<agm005062810> | CeTmAgSe4 | _symmetry_space_group_name_H-M [Imma]
data_[Ce4Tm4Ag4Se16]
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
Ag 1.9300 1.6000 1.0867
Se 2.5500 1.1500 1.0133
]
_cell_length_a [8.1884]
_cell_length_b [8.... |
alex<agm005017605> | TbHfTiIr2 | _symmetry_space_group_name_H-M [I-4m2]
data_[Tb2Hf2Ti2Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Hf 1.3000 1.5500 0.8500
Ti 1.5400 1.4000 0.8517
Ir 2.2000 1.3500 0.7650
]
_cell_length_a [4.3498]
_cell_length_b [4.... |
alex<agm004516322> | NaLa2Sn3Pt4 | _symmetry_space_group_name_H-M [P-4m2]
data_[Na1La2Sn3Pt4]
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
Sn 1.9600 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_cell_length_a [4.5774]
_cell_length_b [4.... |
alex<agm003328535> | Cu3Pd3Au2 | _symmetry_space_group_name_H-M [Pmmm]
data_[Cu3Pd3Au2]
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
Au 2.5400 1.3500 1.0700
]
_cell_length_a [3.7287]
_cell_length_b [3.9895]
_cell_length_c [7.9539]
_ce... |
alex<agm002143694> | Cs2RhCl6 | _symmetry_space_group_name_H-M [Fm-3m]
data_[Cs8Rh4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Rh 2.2800 1.3500 0.7450
Cl 3.1600 1.0000 0.7800
]
_cell_length_a [10.4807]
_cell_length_b [10.4807]
_cell_length_c [10.4807... |
alex<agm002199980> | Sc2B4Rh5 | _symmetry_space_group_name_H-M [Fmmm]
data_[Sc8B16Rh20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
B 2.0400 0.8500 0.4100
Rh 2.2800 1.3500 0.7450
]
_cell_length_a [5.3867]
_cell_length_b [9.4778]
_cell_length_c [11.2596]
_c... |
alex<agm003754894> | Sm4AlRu | _symmetry_space_group_name_H-M [C2/c]
data_[Sm16Al4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Al 1.6100 1.2500 0.6750
Ru 2.2000 1.3000 0.6610
]
_cell_length_a [8.9247]
_cell_length_b [13.5990]
_cell_length_c [6.2014]
_... |
alex<agm004806786> | SmTm2ScHg4 | _symmetry_space_group_name_H-M [R-3m]
data_[Sm3Tm6Sc3Hg12]
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
Sc 1.3600 1.6000 0.8850
Hg 2.0000 1.5000 1.2450
]
_cell_length_a [5.1871]
_cell_length_b [5.... |
alex<agm004742728> | SrLi(AlGe)2 | _symmetry_space_group_name_H-M [P-3m1]
data_[Sr1Li1Al2Ge2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Li 0.9800 1.4500 0.9000
Al 1.6100 1.2500 0.6750
Ge 2.0100 1.2500 0.7700
]
_cell_length_a [4.4732]
_cell_length_b [4.... |
alex<agm003532159> | Tb8In2Ir | _symmetry_space_group_name_H-M [C2/m]
data_[Tb16In4Ir2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
In 1.7800 1.5500 0.9400
Ir 2.2000 1.3500 0.7650
]
_cell_length_a [19.0764]
_cell_length_b [5.1338]
_cell_length_c [6.7072]
_... |
alex<agm003774755> | NaGaHg6 | _symmetry_space_group_name_H-M [R-3m]
data_[Na3Ga3Hg18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ga 1.8100 1.3000 0.7600
Hg 2.0000 1.5000 1.2450
]
_cell_length_a [9.1522]
_cell_length_b [9.1522]
_cell_length_c [9.6709]
_c... |
alex<agm005075592> | VAgPtO6 | _symmetry_space_group_name_H-M [P-31c]
data_[V2Ag2Pt2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Ag 1.9300 1.6000 1.0867
Pt 2.2800 1.3500 0.8050
O 3.4400 0.6000 1.2600
]
_cell_length_a [5.1554]
_cell_length_b [5.155... |
alex<agm004702974> | Cs4Sn(GeBr4)3 | _symmetry_space_group_name_H-M [Im-3m]
data_[Cs8Sn2Ge6Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Sn 1.9600 1.4500 0.8300
Ge 2.0100 1.2500 0.7700
Br 2.9600 1.1500 0.8825
]
_cell_length_a [11.4197]
_cell_length_b [... |
alex<agm005139218> | LiCa2Cu2Pd5 | _symmetry_space_group_name_H-M [P4/mbm]
data_[Li2Ca4Cu4Pd10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ca 1.0000 1.8000 1.1400
Cu 1.9000 1.3500 0.8200
Pd 2.2000 1.4000 0.8462
]
_cell_length_a [9.4765]
_cell_length_b [... |
alex<agm002255409> | TmBIrN | _symmetry_space_group_name_H-M [P4/nmm]
data_[Tm2B2Ir2N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
B 2.0400 0.8500 0.4100
Ir 2.2000 1.3500 0.7650
N 3.0400 0.6500 0.6300
]
_cell_length_a [3.7414]
_cell_length_b [3.741... |
alex<agm003349876> | Rb2(In2Au)3 | _symmetry_space_group_name_H-M [P-62m]
data_[Rb2In6Au3]
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
Au 2.5400 1.3500 1.0700
]
_cell_length_a [8.7676]
_cell_length_b [8.7676]
_cell_length_c [4.8540]
_c... |
alex<agm005086856> | LiAgOsF6 | _symmetry_space_group_name_H-M [P-31c]
data_[Li2Ag2Os2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ag 1.9300 1.6000 1.0867
Os 2.2000 1.3000 0.6730
F 3.9800 0.5000 0.7050
]
_cell_length_a [5.3603]
_cell_length_b [5.3... |
alex<agm001159440> | TmLu2Al | _symmetry_space_group_name_H-M [P4/mmm]
data_[Tm1Lu2Al1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Lu 1.2700 1.7500 1.0010
Al 1.6100 1.2500 0.6750
]
_cell_length_a [3.4440]
_cell_length_b [3.4440]
_cell_length_c [8.8300]
_... |
alex<agm002208176> | Cu5SnAs | _symmetry_space_group_name_H-M [P4/mmm]
data_[Cu5Sn1As1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Sn 1.9600 1.4500 0.8300
As 2.1800 1.1500 0.6600
]
_cell_length_a [4.0057]
_cell_length_b [4.0057]
_cell_length_c [6.5686]
_... |
alex<agm002182461> | ScS3 | _symmetry_space_group_name_H-M [P2_1/m]
data_[Sc2S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
S 2.5800 1.0000 0.8800
]
_cell_length_a [5.2604]
_cell_length_b [3.4035]
_cell_length_c [10.0467]
_cell_angle_alpha [90.0000]
_cell_... |
alex<agm003457156> | Cs(In2Sb)2 | _symmetry_space_group_name_H-M [P4_2/mnm]
data_[Cs2In8Sb4]
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
Sb 2.0500 1.4500 0.8300
]
_cell_length_a [10.1290]
_cell_length_b [10.1290]
_cell_length_c [4.632... |
alex<agm005107352> | Y2SN | _symmetry_space_group_name_H-M [R3m]
data_[Y6S3N3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
S 2.5800 1.0000 0.8800
N 3.0400 0.6500 0.6300
]
_cell_length_a [3.6052]
_cell_length_b [3.6052]
_cell_length_c [19.3125]
_cell_ang... |
alex<agm004939685> | K2RbScI6 | _symmetry_space_group_name_H-M [R3]
data_[K6Rb3Sc3I18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Rb 0.8200 2.3500 1.6600
Sc 1.3600 1.6000 0.8850
I 2.6600 1.4000 1.2733
]
_cell_length_a [8.6688]
_cell_length_b [8.6688]
... |
alex<agm004708344> | CsBa3(CuBr3)4 | _symmetry_space_group_name_H-M [R32]
data_[Cs3Ba9Cu12Br36]
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
Cu 1.9000 1.3500 0.8200
Br 2.9600 1.1500 0.8825
]
_cell_length_a [15.5396]
_cell_length_b [1... |
alex<agm004676999> | Rb3Cr2InF9 | _symmetry_space_group_name_H-M [P-3m1]
data_[Rb3Cr2In1F9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Cr 1.6600 1.4000 0.9400
In 1.7800 1.5500 0.9400
F 3.9800 0.5000 0.7050
]
_cell_length_a [6.1781]
_cell_length_b [6.17... |
alex<agm002280204> | EuH3Pt | _symmetry_space_group_name_H-M [Cmcm]
data_[Eu4H12Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
H 2.2000 0.2500 0.0000
Pt 2.2800 1.3500 0.8050
]
_cell_length_a [3.9986]
_cell_length_b [12.1303]
_cell_length_c [4.8572]
_ce... |
alex<agm003554305> | Tb4Tl3Ga | _symmetry_space_group_name_H-M [Pmm2]
data_[Tb4Tl3Ga1]
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
Ga 1.8100 1.3000 0.7600
]
_cell_length_a [4.2390]
_cell_length_b [4.6115]
_cell_length_c [11.4903]
_c... |
alex<agm004878552> | RbCr2InO8 | _symmetry_space_group_name_H-M [C2/m]
data_[Rb2Cr4In2O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Cr 1.6600 1.4000 0.9400
In 1.7800 1.5500 0.9400
O 3.4400 0.6000 1.2600
]
_cell_length_a [9.1484]
_cell_length_b [5.72... |
alex<agm003712192> | Zn3CdAu | _symmetry_space_group_name_H-M [P2_1/c]
data_[Zn12Cd4Au4]
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
]
_cell_length_a [7.1475]
_cell_length_b [6.3663]
_cell_length_c [8.5320]
... |
alex<agm001088721> | Sm2CdHg | _symmetry_space_group_name_H-M [Fm-3m]
data_[Sm8Cd4Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Cd 1.6900 1.5500 1.0900
Hg 2.0000 1.5000 1.2450
]
_cell_length_a [7.6063]
_cell_length_b [7.6063]
_cell_length_c [7.6063]
_c... |
alex<agm004928873> | Sr2CdInHg6 | _symmetry_space_group_name_H-M [P-1]
data_[Sr2Cd1In1Hg6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cd 1.6900 1.5500 1.0900
In 1.7800 1.5500 0.9400
Hg 2.0000 1.5000 1.2450
]
_cell_length_a [5.9355]
_cell_length_b [7.49... |
alex<agm004638589> | K3V(RhSe3)2 | _symmetry_space_group_name_H-M [C2/m]
data_[K6V2Rh4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
V 1.6300 1.3500 0.7775
Rh 2.2800 1.3500 0.7450
Se 2.5500 1.1500 1.0133
]
_cell_length_a [6.7590]
_cell_length_b [11.681... |
alex<agm002331209> | CaPrAs | _symmetry_space_group_name_H-M [I4/mmm]
data_[Ca4Pr4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Pr 1.1300 1.8500 1.0600
As 2.1800 1.1500 0.6600
]
_cell_length_a [4.4960]
_cell_length_b [4.4960]
_cell_length_c [16.4081]
... |
alex<agm004525664> | Sr2CuSn3Pd4 | _symmetry_space_group_name_H-M [P-4m2]
data_[Sr2Cu1Sn3Pd4]
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
Sn 1.9600 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_cell_length_a [4.5753]
_cell_length_b [4.... |
alex<agm005194551> | TbHoErCu | _symmetry_space_group_name_H-M [P4mm]
data_[Tb1Ho1Er1Cu1]
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
Er 1.2400 1.7500 1.0300
Cu 1.9000 1.3500 0.8200
]
_cell_length_a [3.4861]
_cell_length_b [3.4... |
alex<agm001203128> | NdSmCu2 | _symmetry_space_group_name_H-M [P4/mmm]
data_[Nd1Sm1Cu2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Sm 1.1700 1.8500 1.2290
Cu 1.9000 1.3500 0.8200
]
_cell_length_a [5.0428]
_cell_length_b [5.0428]
_cell_length_c [3.5430]
_... |
alex<agm004528578> | Nd2Ga4CuAu3 | _symmetry_space_group_name_H-M [P-4m2]
data_[Nd2Ga4Cu1Au3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
Au 2.5400 1.3500 1.0700
]
_cell_length_a [4.3701]
_cell_length_b [4.... |
alex<agm004601792> | CeSm3(YAs3)2 | _symmetry_space_group_name_H-M [C2/m]
data_[Ce2Sm6Y4As12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Sm 1.1700 1.8500 1.2290
Y 1.2200 1.8000 1.0400
As 2.1800 1.1500 0.6600
]
_cell_length_a [18.2548]
_cell_length_b [4.1... |
alex<agm003508696> | KAs2I7 | _symmetry_space_group_name_H-M [Cmmm]
data_[K2As4I14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
As 2.1800 1.1500 0.6600
I 2.6600 1.4000 1.2733
]
_cell_length_a [9.5667]
_cell_length_b [17.6613]
_cell_length_c [5.5185]
_cell... |
alex<agm001093481> | EuErMg2 | _symmetry_space_group_name_H-M [Fm-3m]
data_[Eu4Er4Mg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Er 1.2400 1.7500 1.0300
Mg 1.3100 1.5000 0.8600
]
_cell_length_a [7.7926]
_cell_length_b [7.7926]
_cell_length_c [7.7926]
_c... |
alex<agm004517579> | Tb2ScGa3Pt4 | _symmetry_space_group_name_H-M [P-4m2]
data_[Tb2Sc1Ga3Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Sc 1.3600 1.6000 0.8850
Ga 1.8100 1.3000 0.7600
Pt 2.2800 1.3500 0.8050
]
_cell_length_a [4.1110]
_cell_length_b [4.... |
alex<agm001123145> | YTmAg2 | _symmetry_space_group_name_H-M [P4/mmm]
data_[Y1Tm1Ag2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Tm 1.2500 1.7500 1.0950
Ag 1.9300 1.6000 1.0867
]
_cell_length_a [3.6233]
_cell_length_b [3.6233]
_cell_length_c [7.2481]
_ce... |
alex<agm005015842> | PrNiGe2Ru | _symmetry_space_group_name_H-M [I-4m2]
data_[Pr2Ni2Ge4Ru2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
Ru 2.2000 1.3000 0.6610
]
_cell_length_a [4.0754]
_cell_length_b [4.... |
alex<agm005192943> | TiCdAgPd | _symmetry_space_group_name_H-M [P4mm]
data_[Ti1Cd1Ag1Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Cd 1.6900 1.5500 1.0900
Ag 1.9300 1.6000 1.0867
Pd 2.2000 1.4000 0.8462
]
_cell_length_a [3.2897]
_cell_length_b [3.2... |
alex<agm002217355> | InSn | _symmetry_space_group_name_H-M [P2_13]
data_[In4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Sn 1.9600 1.4500 0.8300
]
_cell_length_a [6.0882]
_cell_length_b [6.0882]
_cell_length_c [6.0882]
_cell_angle_alpha [90.0000]
_cell_... |
alex<agm003596374> | Ag4PtAu4 | _symmetry_space_group_name_H-M [I4/mmm]
data_[Ag8Pt2Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Pt 2.2800 1.3500 0.8050
Au 2.5400 1.3500 1.0700
]
_cell_length_a [8.6828]
_cell_length_b [8.6828]
_cell_length_c [4.2269]
_... |
alex<agm004497165> | MnTl2Ni3F12 | _symmetry_space_group_name_H-M [R-3m]
data_[Mn3Tl6Ni9F36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Tl 1.6200 1.9000 1.3325
Ni 1.9100 1.3500 0.7400
F 3.9800 0.5000 0.7050
]
_cell_length_a [7.2290]
_cell_length_b [7.22... |
alex<agm004812376> | Na2NdHoO4 | _symmetry_space_group_name_H-M [P2/m]
data_[Na2Nd1Ho1O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Nd 1.1400 1.8500 1.2765
Ho 1.2300 1.7500 1.0410
O 3.4400 0.6000 1.2600
]
_cell_length_a [5.9645]
_cell_length_b [3.498... |
mp-1221929 | MgZnS2 | _symmetry_space_group_name_H-M [P-4m2]
data_[Mg1Zn1S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Zn 1.6500 1.3500 0.8800
S 2.5800 1.0000 0.8800
]
_cell_length_a [3.9413]
_cell_length_b [3.9413]
_cell_length_c [5.5681]
_cel... |
alex<agm003159031> | BeCoSi | _symmetry_space_group_name_H-M [I4mm]
data_[Be2Co2Si2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
]
_cell_length_a [2.8679]
_cell_length_b [2.8679]
_cell_length_c [7.2046]
_ce... |
alex<agm003391565> | La2Al2Ag | _symmetry_space_group_name_H-M [C2/m]
data_[La8Al8Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Al 1.6100 1.2500 0.6750
Ag 1.9300 1.6000 1.0867
]
_cell_length_a [11.0053]
_cell_length_b [4.8041]
_cell_length_c [11.1509]
_... |
alex<agm003031024> | Zr2HgSb2 | _symmetry_space_group_name_H-M [P4/mbm]
data_[Zr4Hg2Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Hg 2.0000 1.5000 1.2450
Sb 2.0500 1.4500 0.8300
]
_cell_length_a [7.9383]
_cell_length_b [7.9383]
_cell_length_c [3.8380]
_... |
alex<agm004519532> | Tm2Al4Pd3Pt | _symmetry_space_group_name_H-M [P-4m2]
data_[Tm2Al4Pd3Pt1]
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
Pd 2.2000 1.4000 0.8462
Pt 2.2800 1.3500 0.8050
]
_cell_length_a [4.0902]
_cell_length_b [4.... |
alex<agm002207675> | Tb(CuGe)2 | _symmetry_space_group_name_H-M [P4/nmm]
data_[Tb2Cu4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Cu 1.9000 1.3500 0.8200
Ge 2.0100 1.2500 0.7700
]
_cell_length_a [4.1229]
_cell_length_b [4.1229]
_cell_length_c [10.1449]
... |
alex<agm003510883> | Sr2Ga7Pd | _symmetry_space_group_name_H-M [P-4m2]
data_[Sr2Ga7Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ga 1.8100 1.3000 0.7600
Pd 2.2000 1.4000 0.8462
]
_cell_length_a [4.4236]
_cell_length_b [4.4236]
_cell_length_c [10.8856]
_... |
alex<agm003175897> | CoCu2Ni | _symmetry_space_group_name_H-M [Pmm2]
data_[Co1Cu2Ni1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Cu 1.9000 1.3500 0.8200
Ni 1.9100 1.3500 0.7400
]
_cell_length_a [2.5101]
_cell_length_b [3.5464]
_cell_length_c [5.0524]
_ce... |
alex<agm003552158> | Sm4Dy3In | _symmetry_space_group_name_H-M [Pmn2_1]
data_[Sm8Dy6In2]
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
In 1.7800 1.5500 0.9400
]
_cell_length_a [11.3089]
_cell_length_b [7.1162]
_cell_length_c [6.2234]
... |
alex<agm004731829> | Pr8TeIr3I4 | _symmetry_space_group_name_H-M [R-3m]
data_[Pr24Te3Ir9I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Te 2.1000 1.4000 1.2933
Ir 2.2000 1.3500 0.7650
I 2.6600 1.4000 1.2733
]
_cell_length_a [8.7855]
_cell_length_b [8.7... |
mp-1641121 | Li2TiFe2O5 | _symmetry_space_group_name_H-M [Cc]
data_[Li8Ti4Fe8O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ti 1.5400 1.4000 0.8517
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_cell_length_a [5.1353]
_cell_length_b [15.126... |
alex<agm003535328> | Sn(PPd4)2 | _symmetry_space_group_name_H-M [C2/m]
data_[Sn2P4Pd16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
P 2.1900 1.0000 0.5500
Pd 2.2000 1.4000 0.8462
]
_cell_length_a [7.4218]
_cell_length_b [10.8677]
_cell_length_c [4.4309]
_ce... |
alex<agm004990676> | SrCeS2F | _symmetry_space_group_name_H-M [P4/nmm]
data_[Sr2Ce2S4F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ce 1.1200 1.8500 1.0800
S 2.5800 1.0000 0.8800
F 3.9800 0.5000 0.7050
]
_cell_length_a [4.0530]
_cell_length_b [4.053... |
alex<agm004961009> | NaLi(AgCl3)2 | _symmetry_space_group_name_H-M [C2/c]
data_[Na4Li4Ag8Cl24]
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
Ag 1.9300 1.6000 1.0867
Cl 3.1600 1.0000 0.7800
]
_cell_length_a [13.4976]
_cell_length_b [9... |
alex<agm003617467> | SrSn2Pd | _symmetry_space_group_name_H-M [Cmcm]
data_[Sr4Sn8Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Sn 1.9600 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_cell_length_a [4.4883]
_cell_length_b [11.7916]
_cell_length_c [7.8405]
_c... |
alex<agm004520326> | Y2GaCu4Si3 | _symmetry_space_group_name_H-M [P-4m2]
data_[Y2Ga1Cu4Si3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
Si 1.9000 1.1000 0.5400
]
_cell_length_a [4.0034]
_cell_length_b [4.00... |
alex<agm004946576> | HoMg(H3Ir)2 | _symmetry_space_group_name_H-M [R-3m]
data_[Ho3Mg3H18Ir6]
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
H 2.2000 0.2500 0.0000
Ir 2.2000 1.3500 0.7650
]
_cell_length_a [4.5710]
_cell_length_b [4.57... |
End of preview. Expand in Data Studio
README.md exists but content is empty.
- Downloads last month
- 53