Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm003538114 | Cu9Ga2Tb | data_[Tb3Ga6Cu27]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.9744]
_cell_length_b [4.9744]
_cell_length_c [23.8976]
_... |
agm005600179 | I8Li2Pu3 | data_[Li4Pu6I16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Pu 1.2800 1.7500 0.9675
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.8183]
_cell_length_b [9.0231]
_cell_length_c [7.7433]
_ce... |
agm003964227 | Ag2OsTc | data_[Tc2Ag4Os2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
Ag 1.9300 1.6000 1.0867
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [2.8105]
_cell_length_b [4.8512]
_cell_length_c [9.6226]
_ce... |
agm001369766 | DyPmSbZn | data_[Pm4Dy4Zn4Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Dy 1.2200 1.7500 1.1310
Zn 1.6500 1.3500 0.8800
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.4425]
_cell_length_b [7.... |
agm2000072396 | As2In3Sn | data_[In3Sn1As2]
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
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.0963]
_cell_length_b [7.8816]
_cell_length_c [19.0612]
_c... |
oqmd-6854329 | AlC2Cr4Ga | data_[Al1Cr4Ga1C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Cr 1.6600 1.4000 0.9400
Ga 1.8100 1.3000 0.7600
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [2.8536]
_cell_length_b [2.85... |
agm002268618 | CuLaTl6 | data_[La1Tl6Cu1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Tl 1.6200 1.9000 1.3325
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6886]
_cell_length_b [4.6886]
_cell_length_c [10.8171]
... |
oqmd-6123108 | Au2GaGeNd | data_[Nd2Ga2Ge2Au4]
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
Ge 2.0100 1.2500 0.7700
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.4560]
_cell_length_b [4... |
agm001805269 | AuNTe2Zr | data_[Zr1Te2Au1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Te 2.1000 1.4000 1.2933
Au 2.5400 1.3500 1.0700
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.5696]
_cell_length_b [5.5... |
agm005079299 | CoGaO6U | data_[U2Ga2Co2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [5.2453]
_cell_length_b [5.245... |
oqmd-6546298 | KLiSe | data_[K2Li2Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Li 0.9800 1.4500 0.9000
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.8085]
_cell_length_b [4.8085]
_cell_length_c [6.8400]
_ce... |
agm003684249 | Cd6Li12Tm | data_[Li36Tm3Cd18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Tm 1.2500 1.7500 1.0950
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.3239]
_cell_length_b [10.3239]
_cell_length_c [12.9003]... |
agm003113027 | InNaTe2 | data_[Na1In1Te2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
In 1.7800 1.5500 0.9400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.5673]
_cell_length_b [4.5673]
_cell_length_c [7.5259]
_c... |
agm005617095 | Hg3Ho2Tl | data_[Ho8Tl4Hg12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Tl 1.6200 1.9000 1.3325
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [6.3722]
_cell_length_b [15.2954]
_cell_length_c [6.3788]
_... |
agm005060293 | CdO4PaPd | data_[Pa4Cd4Pd4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Cd 1.6900 1.5500 1.0900
Pd 2.2000 1.4000 0.8462
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.3519]
_cell_length_b [7.02... |
agm004685941 | Ac3Se8Tm3Y | data_[Ac9Y3Tm9Se24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Y 1.2200 1.8000 1.0400
Tm 1.2500 1.7500 1.0950
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.2898]
_cell_length_b [8.28... |
agm002844230 | BrKZn2 | data_[K4Zn8Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Zn 1.6500 1.3500 0.8800
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [9.3737]
_cell_length_b [9.3737]
_cell_length_c [6.1455]
_cel... |
agm002161751 | BaMn2 | data_[Ba4Mn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Mn 1.5500 1.4000 0.6483
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [4.1664]
_cell_length_b [7.4978]
_cell_length_c [9.7106]
_cell_angle_alpha [90.0000]
_cell_a... |
agm2000051736 | B2S2Se | data_[B2Se1S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
B 2.0400 0.8500 0.4100
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.9894]
_cell_length_b [18.7294]
_cell_length_c [5.9334]
_cell_an... |
agm005262102 | BLaO6W | data_[La2B2W2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
B 2.0400 0.8500 0.4100
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [6.1494]
_cell_length_b [4.0474]
... |
agm004111760 | FeRe2Se | data_[Fe2Re4Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Re 1.9000 1.3500 0.7125
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.0000]
_cell_length_b [4.4602]
_cell_length_c [9.1309]
_ce... |
agm002635279 | AlGa2Os | data_[Al4Ga8Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Ga 1.8100 1.3000 0.7600
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2132]
_cell_length_b [6.2132]
_cell_length_c [6.2132]
_c... |
agm002878071 | CdPd2Tl | data_[Tl4Cd4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Cd 1.6900 1.5500 1.0900
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [4.2042]
_cell_length_b [4.2042]
_cell_length_c [18.8377]
_... |
agm002320328 | Pr2PtSn | data_[Pr8Sn4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Sn 1.9600 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5738]
_cell_length_b [7.5738]
_cell_length_c [7.5738]
_c... |
agm004993985 | La2NdPmY | data_[La4Pm2Nd2Y2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pm 1.1300 1.8500 1.1100
Nd 1.1400 1.8500 1.2765
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.4527]
_cell_length_b [5.9... |
agm005551634 | In2Na2Pb3 | data_[Na4In4Pb6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
In 1.7800 1.5500 0.9400
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5411]
_cell_length_b [3.7465]
_cell_length_c [10.2622]
_... |
agm003018413 | Au2PtSi2 | data_[Si4Pt2Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Pt 2.2800 1.3500 0.8050
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.2193]
_cell_length_b [6.2193]
_cell_length_c [4.5204]
_... |
oqmd-4821300 | AgAsPb | data_[Ag4As4Pb4]
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
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.8762]
_cell_length_b [4.6408]
_cell_length_c [7.7401]
_ce... |
agm003566756 | In3Pr5Tm | data_[Pr10Tm2In6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Tm 1.2500 1.7500 1.0950
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.6253]
_cell_length_b [9.6253]
_cell_length_c [6.9385... |
agm005017318 | CoGe2TcTm | data_[Tm2Co2Tc2Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Co 1.8800 1.3500 0.7683
Tc 1.9000 1.3500 0.7417
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.1356]
_cell_length_b [4.... |
agm002699970 | In2MgRe | data_[Mg4In8Re4]
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
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7280]
_cell_length_b [6.7280]
_cell_length_c [6.7280]
_c... |
agm002605559 | BaPtSn3 | data_[Ba1Sn3Pt1]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [6.0039]
_cell_length_b [6.0039]
_cell_length_c [6.0039]
_c... |
agm004251796 | Cu2MoTc | data_[Cu4Tc2Mo2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Tc 1.9000 1.3500 0.7417
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.7838]
_cell_length_b [3.7838]
_cell_length_c [7.6232]
_c... |
agm001173148 | Co4NbNp | data_[Np4Nb4Co16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Nb 1.6000 1.4500 0.8200
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.8648]
_cell_length_b [6.8648]
_cell_length_c [6.8648]
_... |
agm006013219 | LaO9S3 | data_[La4S12O36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C222_1]
_cell_length_a [9.5699]
_cell_length_b [11.4881]
_cell_length_c [7.4398]
_c... |
agm002444776 | AsCl3Sr | data_[Sr1As1Cl3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
As 2.1800 1.1500 0.6600
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.2743]
_cell_length_b [5.2743]
_cell_length_c [5.2743]
_c... |
agm001767169 | HgP2SY | data_[Y1Hg1P2S1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Hg 2.0000 1.5000 1.2450
P 2.1900 1.0000 0.5500
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.4093]
_cell_length_b [5.4093]... |
agm004525312 | Ac2Cd3Hg4Mg | data_[Ac2Mg1Cd3Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Mg 1.3100 1.5000 0.8600
Cd 1.6900 1.5500 1.0900
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.7119]
_cell_length_b [4.... |
agm005143070 | Hg2InNa2Pd5 | data_[Na4In2Hg4Pd10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
In 1.7800 1.5500 0.9400
Hg 2.0000 1.5000 1.2450
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.8262]
_cell_length_b [... |
agm003725572 | Cu3RhSr | data_[Sr4Cu12Rh4]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.4303]
_cell_length_b [4.1900]
_cell_length_c [10.3730]
_... |
agm003412995 | Au3Ba2Ga | data_[Ba16Ga8Au24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ga 1.8100 1.3000 0.7600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [8.8990]
_cell_length_b [9.5981]
_cell_length_c [16.4316]
... |
agm003004291 | Cd2Ni2Ru | data_[Cd4Ni4Ru2]
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
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.2661]
_cell_length_b [6.2661]
_cell_length_c [4.0426]
_... |
agm002801390 | BeCd2Ru | data_[Be4Cd8Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Cd 1.6900 1.5500 1.0900
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [3.7986]
_cell_length_b [3.7986]
_cell_length_c [19.2715]
_... |
agm002933046 | Mn2Rh2Y | data_[Y2Mn4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Mn 1.5500 1.4000 0.6483
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9639]
_cell_length_b [3.9639]
_cell_length_c [11.5291]
_c... |
agm001829308 | SmSr3 | data_[Sr3Sm1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Sm 1.1700 1.8500 1.2290
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.7869]
_cell_length_b [3.9317]
_cell_length_c [12.9169]
_cell_angle_alpha [90.0000]
_cell_... |
agm003542156 | LaSm3Tm3 | data_[La3Sm9Tm9]
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
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [9.9509]
_cell_length_b [9.9509]
_cell_length_c [8.1266]
_cel... |
agm002822841 | Ag2AsCu | data_[Cu4Ag8As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Ag 1.9300 1.6000 1.0867
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [7.3996]
_cell_length_b [7.3996]
_cell_length_c [5.3466]
_c... |
agm002796267 | B2HfSc | data_[Hf4Sc4B8]
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
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [6.2608]
_cell_length_b [6.2608]
_cell_length_c [6.1277]
_cel... |
agm2000142409 | AlCaCl6 | data_[Ca1Al1Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Al 1.6100 1.2500 0.6750
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [6.6559]
_cell_length_b [6.6559]
_cell_length_c [17.6931]
_c... |
agm004081051 | CdCrLa2 | data_[La4Cr2Cd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Cr 1.6600 1.4000 0.9400
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.8053]
_cell_length_b [5.3241]
_cell_length_c [11.0175]
_c... |
agm002704352 | AuInN2 | data_[In4Au4N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Au 2.5400 1.3500 1.0700
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.9257]
_cell_length_b [5.9257]
_cell_length_c [5.9257]
_cel... |
agm004888119 | Mo2NiO8Zn | data_[Zn2Ni2Mo4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ni 1.9100 1.3500 0.7400
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [6.2795]
_cell_length_b [6.2... |
agm005500134 | SrTc3 | data_[Sr4Tc12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.1945]
_cell_length_b [12.1621]
_cell_length_c [4.3097]
_cell_angle_alpha [90.0000]
_cell... |
agm003529136 | Ba8HgSn2 | data_[Ba16Sn4Hg2]
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
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.9537]
_cell_length_b [5.9204]
_cell_length_c [8.1809]
_... |
agm005414546 | OsRh2Zr2 | data_[Zr4Os2Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Os 2.2000 1.3000 0.6730
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.5206]
_cell_length_b [3.5206]
_cell_length_c [15.0641]
... |
agm002869456 | HfNiZn2 | data_[Hf4Zn8Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Zn 1.6500 1.3500 0.8800
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [3.6985]
_cell_length_b [3.6985]
_cell_length_c [19.3434]
_... |
agm004807994 | Er2HoPmTl4 | data_[Pm3Ho3Er6Tl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Ho 1.2300 1.7500 1.0410
Er 1.2400 1.7500 1.0300
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3719]
_cell_length_b [5.... |
agm005708953 | As4Co4Li3 | data_[Li6Co8As8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Co 1.8800 1.3500 0.7683
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [I-43m]
_cell_length_a [7.0308]
_cell_length_b [7.0308]
_cell_length_c [7.0308]
_c... |
agm001613261 | CuHMoTa2 | data_[Ta2Cu1Mo1H1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Cu 1.9000 1.3500 0.8200
Mo 2.1600 1.4500 0.7750
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1845]
_cell_length_b [4.1... |
oqmd-2329236 | GaHgLu2 | data_[Lu8Ga4Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Ga 1.8100 1.3000 0.7600
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.2738]
_cell_length_b [7.2738]
_cell_length_c [7.2738]
_c... |
agm2000016997 | Cr3N2 | data_[Cr6N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [18.5607]
_cell_length_b [3.5633]
_cell_length_c [5.1666]
_cell_angle_alpha [90.0000]
_cell_an... |
agm001621434 | BaIrMg2Y | data_[Ba1Y1Mg2Ir1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Y 1.2200 1.8000 1.0400
Mg 1.3100 1.5000 0.8600
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.2966]
_cell_length_b [5.2... |
agm003022021 | Au2Ir2Tc | data_[Tc2Ir4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
Ir 2.2000 1.3500 0.7650
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.5232]
_cell_length_b [7.5232]
_cell_length_c [2.9529]
_... |
agm003750108 | Ir4OsW | data_[Ir8Os2W2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ir 2.2000 1.3500 0.7650
Os 2.2000 1.3000 0.6730
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7394]
_cell_length_b [4.1080]
_cell_length_c [7.5646]
_cell... |
agm002715001 | Cu2NiW | data_[Cu8Ni4W4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Ni 1.9100 1.3500 0.7400
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.8664]
_cell_length_b [5.8664]
_cell_length_c [5.8664]
_cel... |
agm2000092159 | NiP3Sn3 | data_[Ni2Sn6P6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.6927]
_cell_length_b [11.4153]
_cell_length_c [17.8109]
_cell... |
agm006062454 | Ca4Cl5Ge | data_[Ca8Ge2Cl10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ge 2.0100 1.2500 0.7700
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.9725]
_cell_length_b [3.9601]
_cell_length_c [8.6323]
_... |
agm001677405 | As2LiNaSe | data_[Na1Li1As2Se1]
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
As 2.1800 1.1500 0.6600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0565]
_cell_length_b [5... |
agm004571399 | C2HgK2O6 | data_[K4Hg2C4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Hg 2.0000 1.5000 1.2450
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8676]
_cell_length_b [5.2553]... |
agm003819903 | AsCa2Zn | data_[Ca6Zn3As3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Zn 1.6500 1.3500 0.8800
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.4716]
_cell_length_b [4.4716]
_cell_length_c [19.7765]
_c... |
agm002396165 | AlBi3Pb | data_[Al1Bi3Pb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Bi 2.0200 1.6000 1.0350
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.5082]
_cell_length_b [5.5082]
_cell_length_c [5.5082]
_c... |
agm005195911 | DyOsPbPu | data_[Dy1Pu1Os1Pb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Pu 1.2800 1.7500 0.9675
Os 2.2000 1.3000 0.6730
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.3179]
_cell_length_b [3.3... |
agm004860046 | PS2TeTm4 | data_[Tm4Te1P1S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Te 2.1000 1.4000 1.2933
P 2.1900 1.0000 0.5500
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8490]
_cell_length_b [3.9570]... |
agm004567495 | F4I2PuRb2 | data_[Rb4Pu2I4F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Pu 1.2800 1.7500 0.9675
I 2.6600 1.4000 1.2733
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [7.4717]
_cell_length_b [7.471... |
agm004983772 | DyPm6TbTm2 | data_[Tb4Pm24Dy4Tm8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Pm 1.1300 1.8500 1.1100
Dy 1.2200 1.7500 1.1310
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.2266]
_cell_length_b [15... |
agm002622903 | BaHgY3 | data_[Ba1Y3Hg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Y 1.2200 1.8000 1.0400
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.7373]
_cell_length_b [5.7373]
_cell_length_c [5.7373]
_cel... |
agm003878751 | OsPbTe | data_[Te4Os4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
Os 2.2000 1.3000 0.6730
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.5853]
_cell_length_b [6.5853]
_cell_length_c [6.5853]
_c... |
agm002676528 | BiCsGa2 | data_[Cs4Ga8Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ga 1.8100 1.3000 0.7600
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.0120]
_cell_length_b [8.0120]
_cell_length_c [8.0120]
_c... |
oqmd-9188402 | C3Sc4Tl3V2 | data_[Sc16Tl12V8C12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Tl 1.6200 1.9000 1.3325
V 1.6300 1.3500 0.7775
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.7651]
_cell_length_b [5.66... |
agm001569010 | B2FeGaMn | data_[Mn1Ga1Fe1B2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Ga 1.8100 1.3000 0.7600
Fe 1.8300 1.4000 0.8525
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7983]
_cell_length_b [3.7... |
oqmd-3645674 | NiOSTl | data_[Tl2Ni2S2O2]
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
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.8393]
_cell_length_b [7.290... |
agm005064269 | CdO5PPm | data_[Pm4Cd4P4O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Cd 1.6900 1.5500 1.0900
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.0570]
_cell_length_b [8.9415... |
agm004962835 | I6K2NaV | data_[K6Na3V3I18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Na 0.9300 1.8000 1.1600
V 1.6300 1.3500 0.7775
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [8.4181]
_cell_length_b [8.4181]
_... |
agm005647656 | FGeP | data_[Ge2P2F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
P 2.1900 1.0000 0.5500
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [3.6534]
_cell_length_b [5.9325]
_cell_length_c [5.9943]
_cell... |
agm2000098134 | LiMnSe2 | data_[Li1Mn1Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mn 1.5500 1.4000 0.6483
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.6214]
_cell_length_b [4.4759]
_cell_length_c [18.3107]
_c... |
agm005464318 | As4CdIn | data_[Cd4In4As16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
In 1.7800 1.5500 0.9400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.1373]
_cell_length_b [8.1373]
_cell_length_c [8.1373]
_... |
agm002565521 | Hf3MoO | data_[Hf3Mo1O1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.0030]
_cell_length_b [5.0030]
_cell_length_c [5.0030]
_cel... |
agm004157477 | FeP2Sb | data_[Fe1Sb1P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Sb 2.0500 1.4500 0.8300
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.1990]
_cell_length_b [4.3282]
_cell_length_c [4.8368]
_cell... |
agm004381032 | BeIr2Mn | data_[Mn2Be2Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Be 1.5700 1.0500 0.5900
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.6149]
_cell_length_b [3.6149]
_cell_length_c [7.7931]
_c... |
agm001837842 | AuFeNb | data_[Nb2Fe2Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Fe 1.8300 1.4000 0.8525
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [2.9496]
_cell_length_b [2.9496]
_cell_length_c [11.0295]
_c... |
agm005482590 | CaFe2 | data_[Ca2Fe4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.7099]
_cell_length_b [4.7099]
_cell_length_c [5.5103]
_cell_angle_alpha [90.0000]
_ce... |
agm006089949 | Bi6IrO12 | data_[Bi18Ir3O36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
Ir 2.2000 1.3500 0.7650
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.2997]
_cell_length_b [10.2997]
_cell_length_c [9.4750]
_c... |
agm003375981 | Cd3Ga8Na3 | data_[Na6Cd6Ga16]
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
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.3081]
_cell_length_b [10.4964]
_cell_length_c [13.1194]
... |
agm003461469 | P2Pd4Y | data_[Y2P4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
P 2.1900 1.0000 0.5500
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.1448]
_cell_length_b [13.1845]
_cell_length_c [4.1756]
_cell_... |
agm005047701 | IMoO4Tb | data_[Tb4Mo4I4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Mo 2.1600 1.4500 0.7750
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9155]
_cell_length_b [7.271... |
oqmd-9227956 | Co3LiS5 | data_[Li1Co3S5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Co 1.8800 1.3500 0.7683
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.3874]
_cell_length_b [5.3874]
_cell_length_c [6.3226]
_ce... |
agm003474162 | CGa2Pm5 | data_[Pm20Ga8C4]
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
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.5140]
_cell_length_b [14.9125]
_cell_length_c [11.6406]
_c... |
agm001486235 | Cu2LaSiZn | data_[La1Zn1Cu2Si1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5087]
_cell_length_b [4... |
agm002474136 | FNi3Ru | data_[Ni3Ru1F1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Ru 2.2000 1.3000 0.6610
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.6697]
_cell_length_b [4.6697]
_cell_length_c [4.6697]
_cel... |
agm001331757 | CdEuHgLu | data_[Eu4Lu4Cd4Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Lu 1.2700 1.7500 1.0010
Cd 1.6900 1.5500 1.0900
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.5563]
_cell_length_b [7.... |
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