material_id stringlengths 4 18 | formula_reduced stringlengths 1 21 | CIF stringlengths 761 4.04k |
|---|---|---|
alex<agm001264094> | NdSnPd | [P-6m2_sg]
data_[Nd1Sn1Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Sn 1.9600 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.7486]
_cell_length_b [4.7486]
_cell_length_c ... |
alex<agm002130060> | InSI | [Cm_sg]
data_[In4S4I4]
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
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [15.6041]
_cell_length_b [4.0224]
_cell_length_c [8.1666]
... |
alex<agm004825134> | CaDy(TmSe2)2 | [P2/m_sg]
data_[Ca1Dy1Tm2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Dy 1.2200 1.7500 1.1310
Tm 1.2500 1.7500 1.0950
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.0535]
_cell_len... |
alex<agm002186802> | ErSi3Ni2 | [I4/mmm_sg]
data_[Er4Si12Ni8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8915]
_cell_length_b [3.8915]
_cell_length... |
alex<agm002374711> | Tm3In3Sn2Pt | [P-62m_sg]
data_[Tm3In3Sn2Pt1]
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
Sn 1.9600 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.5925]
_cell_l... |
alex<agm003315835> | Dy5(AlSn)2 | [Cmce_sg]
data_[Dy20Al8Sn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Al 1.6100 1.2500 0.6750
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [15.4909]
_cell_length_b [8.0587]
_cell_length_c ... |
alex<agm004752919> | BaCd2InAu2 | [P-3m1_sg]
data_[Ba1Cd2In1Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Cd 1.6900 1.5500 1.0900
In 1.7800 1.5500 0.9400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.8600]
_cell_l... |
alex<agm003340726> | Ca3(CdPd2)2 | [C2/m_sg]
data_[Ca6Cd4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Cd 1.6900 1.5500 1.0900
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1407]
_cell_length_b [4.6465]
_cell_length_c [... |
alex<agm003166759> | Ca2AgSb | [P4/mmm_sg]
data_[Ca2Ag1Sb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ag 1.9300 1.6000 1.0867
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.2291]
_cell_length_b [5.2291]
_cell_length_... |
alex<agm002343423> | Mg2Ni2Pb | [Cmmm_sg]
data_[Mg4Ni4Pb2]
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
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.8578]
_cell_length_b [13.4103]
_cell_length_c [... |
alex<agm001610650> | Mg2AgHRh | [P4/mmm_sg]
data_[Mg2Ag1H1Rh1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ag 1.9300 1.6000 1.0867
H 2.2000 0.2500 0.0000
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5169]
_cell_l... |
alex<agm005149358> | Ba2SmGeSe5 | [Cmc2_1_sg]
data_[Ba8Sm4Ge4Se20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sm 1.1700 1.8500 1.2290
Ge 2.0100 1.2500 0.7700
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.5303]
_cel... |
alex<agm003337848> | Ti3(Ga2Pt)2 | [C2/m_sg]
data_[Ti6Ga8Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
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 [9.4408]
_cell_length_b [4.3621]
_cell_length_c [8... |
alex<agm003283548> | ZnIn2Hg | [Cm_sg]
data_[Zn2In4Hg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
In 1.7800 1.5500 0.9400
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.9803]
_cell_length_b [3.1654]
_cell_length_c [6.12... |
alex<agm002133662> | Al2AgSe4 | [I-4_sg]
data_[Al4Ag2Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Ag 1.9300 1.6000 1.0867
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.9839]
_cell_length_b [5.9839]
_cell_length_c [10.... |
alex<agm002310091> | ErRuPb | [P4/nmm_sg]
data_[Er2Ru2Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ru 2.2000 1.3000 0.6610
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.5763]
_cell_length_b [4.5763]
_cell_length_... |
mp-2847 | ErB4 | [P4/mbm_sg]
data_[Er4B16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.0697]
_cell_length_b [7.0697]
_cell_length_c [3.9971]
_cell_angle_alpha [90.... |
alex<agm004526851> | Ba2CaZn3Sn4 | [P-4m2_sg]
data_[Ba2Ca1Zn3Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ca 1.0000 1.8000 1.1400
Zn 1.6500 1.3500 0.8800
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.8331]
_cell_l... |
alex<agm004629483> | Pr2Sm3Y6Sc | [C2/m_sg]
data_[Pr4Sm6Y12Sc2]
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
Y 1.2200 1.8000 1.0400
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2174]
_cell_leng... |
alex<agm005207967> | TbNdZnIr | [Amm2_sg]
data_[Tb2Nd2Zn2Ir2]
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
Zn 1.6500 1.3500 0.8800
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.3994]
_cell_len... |
alex<agm005086129> | BaNaYF6 | [P-31c_sg]
data_[Ba2Na2Y2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Na 0.9300 1.8000 1.1600
Y 1.2200 1.8000 1.0400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [5.9860]
_cell_leng... |
alex<agm004592862> | Bi2AsH2Pd7 | [I4/mmm_sg]
data_[Bi4As2H4Pd14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
As 2.1800 1.1500 0.6600
H 2.2000 0.2500 0.0000
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0807]
_cell_... |
alex<agm004725478> | Ce3Pr4DySe8 | [R-3m_sg]
data_[Ce9Pr12Dy3Se24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Pr 1.1300 1.8500 1.0600
Dy 1.2200 1.7500 1.1310
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.4838]
_cell_l... |
alex<agm004814732> | Ho4GaSiSe2 | [I-4m2_sg]
data_[Ho8Ga2Si2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Ga 1.8100 1.3000 0.7600
Si 1.9000 1.1000 0.5400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [5.7909]
_cell_l... |
alex<agm001650018> | YSc2SnB | [P4/mmm_sg]
data_[Y1Sc2Sn1B1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Sc 1.3600 1.6000 0.8850
Sn 1.9600 1.4500 0.8300
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.7021]
_cell_len... |
alex<agm002338357> | Y3Ga3Sn2Os | [P-62m_sg]
data_[Y3Ga3Sn2Os1]
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
Sn 1.9600 1.4500 0.8300
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.2906]
_cell_len... |
alex<agm004510874> | Tb2GaGe3Ir4 | [P-4m2_sg]
data_[Tb2Ga1Ge3Ir4]
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
Ge 2.0100 1.2500 0.7700
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.1953]
_cell_l... |
alex<agm002995036> | Mg(GaPd)2 | [P4/mbm_sg]
data_[Mg2Ga4Pd4]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.2332]
_cell_length_b [7.2332]
_cell_length_... |
alex<agm001172837> | TbCeOs4 | [F-43m_sg]
data_[Tb4Ce4Os16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ce 1.1200 1.8500 1.0800
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.6232]
_cell_length_b [7.6232]
_cell_length_c... |
alex<agm003603821> | ReIrPt | [P2_1/m_sg]
data_[Re2Ir2Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
Ir 2.2000 1.3500 0.7650
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.8929]
_cell_length_b [3.8920]
_cell_length_... |
mp-1245745 | MgTiN2 | [R-3m_sg]
data_[Mg3Ti3N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ti 1.5400 1.4000 0.8517
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.0300]
_cell_length_b [3.0300]
_cell_length_c [15.... |
alex<agm003391864> | Pr2Ga2Hg | [C2/m_sg]
data_[Pr8Ga8Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ga 1.8100 1.3000 0.7600
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.2664]
_cell_length_b [4.6476]
_cell_length_c [... |
alex<agm005101566> | MgSnGeBr6 | [P4_2nm_sg]
data_[Mg2Sn2Ge2Br12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Sn 1.9600 1.4500 0.8300
Ge 2.0100 1.2500 0.7700
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [6.7722]
_cel... |
alex<agm001232085> | SrHoZn2 | [P4/mmm_sg]
data_[Sr1Ho1Zn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ho 1.2300 1.7500 1.0410
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.3171]
_cell_length_b [5.3171]
_cell_length_... |
alex<agm004646192> | K3Zr(MnTe3)2 | [C2/m_sg]
data_[K6Zr2Mn4Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Zr 1.3300 1.5500 0.8600
Mn 1.5500 1.4000 0.6483
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.5001]
_cell_leng... |
alex<agm002260875> | CaTbCuTe3 | [Cmcm_sg]
data_[Ca4Tb4Cu4Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Tb 1.1000 1.7500 0.9815
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2637]
_cell_le... |
alex<agm001349011> | CeTlZnAg | [F-43m_sg]
data_[Ce4Tl4Zn4Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Tl 1.6200 1.9000 1.3325
Zn 1.6500 1.3500 0.8800
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.2512]
_cell_l... |
alex<agm003527950> | Ce2SmF8 | [C2/m_sg]
data_[Ce4Sm2F16]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.9971]
_cell_length_b [4.0329]
_cell_length_c [5... |
alex<agm004869523> | PrAg2SbSe4 | [Imma_sg]
data_[Pr4Ag8Sb4Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ag 1.9300 1.6000 1.0867
Sb 2.0500 1.4500 0.8300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.1389]
_cell_le... |
alex<agm001273943> | ErInHg | [P3m1_sg]
data_[Er1In1Hg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
In 1.7800 1.5500 0.9400
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.9094]
_cell_length_b [4.9094]
_cell_length_c [3... |
alex<agm004952373> | HfMgTl2O6 | [R3_sg]
data_[Hf3Mg3Tl6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Mg 1.3100 1.5000 0.8600
Tl 1.6200 1.9000 1.3325
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.5642]
_cell_length_b... |
alex<agm002167948> | RbNiBr4 | [P2_1/c_sg]
data_[Rb2Ni2Br8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ni 1.9100 1.3500 0.7400
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.4287]
_cell_length_b [6.3523]
_cell_length_... |
alex<agm005178130> | RbTl2CrF5 | [Immm_sg]
data_[Rb2Tl4Cr2F10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Tl 1.6200 1.9000 1.3325
Cr 1.6600 1.4000 0.9400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4810]
_cell_leng... |
alex<agm005067569> | NaCuPbCl5 | [C2/c_sg]
data_[Na4Cu4Pb4Cl20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Cu 1.9000 1.3500 0.8200
Pb 2.3300 1.8000 1.1225
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.5179]
_cell_le... |
alex<agm001022887> | HfCuSn | [P4/nmm_sg]
data_[Hf2Cu2Sn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Cu 1.9000 1.3500 0.8200
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.9976]
_cell_length_b [3.9976]
_cell_length_... |
alex<agm004941858> | TlHg2MoF6 | [Immm_sg]
data_[Tl2Hg4Mo2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Hg 2.0000 1.5000 1.2450
Mo 2.1600 1.4500 0.7750
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [6.3060]
_cell_leng... |
mp-1110833 | K2NaBiF6 | [Fm-3m_sg]
data_[K8Na4Bi4F24]
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
Bi 2.0200 1.6000 1.0350
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.0819]
_cell_leng... |
alex<agm004809122> | SmDy(TmIn2)2 | [R-3m_sg]
data_[Sm3Dy3Tm6In12]
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
Tm 1.2500 1.7500 1.0950
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3200]
_cell_le... |
alex<agm005111184> | LiSmSe2 | [R3m_sg]
data_[Li3Sm3Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sm 1.1700 1.8500 1.2290
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.1239]
_cell_length_b [4.1239]
_cell_length_c [20.... |
alex<agm003697077> | Na(Cd3Ag4)2 | [R-3_sg]
data_[Na3Cd18Ag24]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [8.1751]
_cell_length_b [8.1751]
_cell_length_c [1... |
alex<agm003335552> | Li3(NdZn2)2 | [Cmce_sg]
data_[Li12Nd8Zn16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Nd 1.1400 1.8500 1.2765
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [5.9057]
_cell_length_b [15.5397]
_cell_length_c... |
alex<agm004655126> | Tb3Dy6Tm2Zr | [C2/m_sg]
data_[Tb6Dy12Tm4Zr2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Dy 1.2200 1.7500 1.1310
Tm 1.2500 1.7500 1.0950
Zr 1.3300 1.5500 0.8600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.0821]
_cell_le... |
agm003733265 | Ba4GeH | data_[Ba4Ge1H1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ge 2.0100 1.2500 0.7700
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P2]
_cell_length_a [5.7456]
_cell_length_b [5.8179]
_cell_length_c [8.0008]
_cell_a... |
alex<agm003450314> | La(SmSe2)2 | [Cmcm_sg]
data_[La4Sm8Se16]
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
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1262]
_cell_length_b [13.7599]
_cell_length_c ... |
alex<agm004977142> | LiTl(SiTe3)2 | [C2/c_sg]
data_[Li4Tl4Si8Te24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Tl 1.6200 1.9000 1.3325
Si 1.9000 1.1000 0.5400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.4948]
_cell_l... |
alex<agm004730941> | Dy8GaSb3Te4 | [R-3m_sg]
data_[Dy24Ga3Sb9Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ga 1.8100 1.3000 0.7600
Sb 2.0500 1.4500 0.8300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.7129]
_cell_l... |
alex<agm002386168> | LiNd(NiBi)2 | [P-3m1_sg]
data_[Li1Nd1Ni2Bi2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Nd 1.1400 1.8500 1.2765
Ni 1.9100 1.3500 0.7400
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.4946]
_cell_l... |
alex<agm001146575> | DyTaOs2 | [P4/mmm_sg]
data_[Dy1Ta1Os2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ta 1.5000 1.4500 0.8200
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.2421]
_cell_length_b [3.2421]
_cell_length_... |
alex<agm003167865> | MgAg2Sb | [I4/mmm_sg]
data_[Mg2Ag4Sb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ag 1.9300 1.6000 1.0867
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2755]
_cell_length_b [4.2755]
_cell_length_... |
alex<agm001275259> | CaTbDy | [P3m1_sg]
data_[Ca1Tb1Dy1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Tb 1.1000 1.7500 0.9815
Dy 1.2200 1.7500 1.1310
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.6160]
_cell_length_b [3.6160]
_cell_length_c [9... |
alex<agm001259779> | TiVRe | [P3m1_sg]
data_[Ti1V1Re1]
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
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.2988]
_cell_length_b [4.2988]
_cell_length_c [2.7... |
alex<agm004945015> | CsAg(NO3)2 | [C2/c_sg]
data_[Cs4Ag4N8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ag 1.9300 1.6000 1.0867
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.1835]
_cell_length... |
alex<agm004858143> | Li2NdSnS4 | [I-4m2_sg]
data_[Li4Nd2Sn2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Nd 1.1400 1.8500 1.2765
Sn 1.9600 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [5.5243]
_cell_len... |
mp-685607 | CsTaSe3 | [Pnma_sg]
data_[Cs4Ta4Se12]
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
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.2074]
_cell_length_b [7.7921]
_cell_length_c [... |
alex<agm003585553> | Ca3Ag8Sn | [R3m_sg]
data_[Ca9Ag24Sn3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ag 1.9300 1.6000 1.0867
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.6894]
_cell_length_b [5.6894]
_cell_length_c [28... |
alex<agm003493432> | Y(AgCl3)2 | [C2/m_sg]
data_[Y2Ag4Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ag 1.9300 1.6000 1.0867
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0619]
_cell_length_b [4.6776]
_cell_length_c [9... |
alex<agm002206254> | HoCo | [Cmcm_sg]
data_[Ho4Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9737]
_cell_length_b [10.2162]
_cell_length_c [3.8593]
_cell_angle_alpha [90.00... |
alex<agm004766856> | K2ZrMnS4 | [I-4_sg]
data_[K4Zr2Mn2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Zr 1.3300 1.5500 0.8600
Mn 1.5500 1.4000 0.6483
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [7.0072]
_cell_length_b ... |
agm006101679 | Sc6Y4Zr | data_[Y8Zr2Sc12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Zr 1.3300 1.5500 0.8600
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [P4/mnc]
_cell_length_a [8.4693]
_cell_length_b [8.4693]
_cell_length_c [8.2645]
_c... |
alex<agm004616512> | NdHo2(TmTe2)3 | [C2/m_sg]
data_[Nd2Ho4Tm6Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ho 1.2300 1.7500 1.0410
Tm 1.2500 1.7500 1.0950
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.0423]
_cell_l... |
alex<agm004999663> | TbSmBiO2 | [I4mm_sg]
data_[Tb2Sm2Bi2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Sm 1.1700 1.8500 1.2290
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.9376]
_cell_lengt... |
alex<agm003643303> | Zn5Ag4Pd | [P4/mmm_sg]
data_[Zn5Ag4Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ag 1.9300 1.6000 1.0867
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.0218]
_cell_length_b [3.0218]
_cell_length_... |
alex<agm001323069> | KTlCdSn | [F-43m_sg]
data_[K4Tl4Cd4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Tl 1.6200 1.9000 1.3325
Cd 1.6900 1.5500 1.0900
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.8145]
_cell_len... |
alex<agm001611204> | NiHPd2Au | [P4/mmm_sg]
data_[Ni1H1Pd2Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
H 2.2000 0.2500 0.0000
Pd 2.2000 1.4000 0.8462
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9874]
_cell_l... |
alex<agm003630452> | CaNdPb2 | [Cmmm_sg]
data_[Ca2Nd2Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Nd 1.1400 1.8500 1.2765
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.3420]
_cell_length_b [9.2251]
_cell_length_c [3... |
alex<agm001613568> | TaV2GaH | [P4/mmm_sg]
data_[Ta1V2Ga1H1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
V 1.6300 1.3500 0.7775
Ga 1.8100 1.3000 0.7600
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8371]
_cell_len... |
mp-1218890 | Sr(B2Pt3)2 | [P-3m1_sg]
data_[Sr1B4Pt6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
B 2.0400 0.8500 0.4100
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.1821]
_cell_length_b [6.1821]
_cell_length_c [5... |
alex<agm005011626> | HoBRuRh2 | [P4/mmm_sg]
data_[Ho1B1Ru1Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
B 2.0400 0.8500 0.4100
Ru 2.2000 1.3000 0.6610
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1851]
_cell_l... |
alex<agm001263761> | CsGaSn | [P-6m2_sg]
data_[Cs1Ga1Sn1]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.6827]
_cell_length_b [4.6827]
_cell_length_c ... |
alex<agm003598102> | BaCdAu | [C2/m_sg]
data_[Ba4Cd4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Cd 1.6900 1.5500 1.0900
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.7262]
_cell_length_b [4.7662]
_cell_length_c [... |
alex<agm003142866> | YScCd | [P4/nmm_sg]
data_[Y2Sc2Cd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Sc 1.3600 1.6000 0.8850
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.6452]
_cell_length_b [4.6452]
_cell_length_c ... |
alex<agm003632031> | HoTlIn2 | [I4/mmm_sg]
data_[Ho2Tl2In4]
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
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.5401]
_cell_length_b [4.5401]
_cell_length_... |
alex<agm002259810> | Ca2Ni2Pb | [C2/c_sg]
data_[Ca8Ni8Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ni 1.9100 1.3500 0.7400
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.9359]
_cell_length_b [5.7237]
_cell_length_c [7... |
alex<agm001947800> | Pr2SN | [R-3m_sg]
data_[Pr6S3N3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
S 2.5800 1.0000 0.8800
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.8238]
_cell_length_b [3.8238]
_cell_length_c [19.82... |
alex<agm004650719> | Tb3Sm6Er2Tl | [C2/m_sg]
data_[Tb6Sm12Er4Tl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Sm 1.1700 1.8500 1.2290
Er 1.2400 1.7500 1.0300
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1777]
_cell_le... |
alex<agm003771746> | CeNdCd6 | [Amm2_sg]
data_[Ce2Nd2Cd12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Nd 1.1400 1.8500 1.2765
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.0374]
_cell_length_b [7.0815]
_cell_length_c [... |
alex<agm004537276> | La2FeP4Ir3 | [P-4m2_sg]
data_[La2Fe1P4Ir3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Fe 1.8300 1.4000 0.8525
P 2.1900 1.0000 0.5500
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.2492]
_cell_len... |
alex<agm002993631> | Mg2InRh2 | [P4/mbm_sg]
data_[Mg4In2Rh4]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.2293]
_cell_length_b [7.2293]
_cell_length_... |
alex<agm004491216> | Ba3Y2O5F2 | [I4/mmm_sg]
data_[Ba6Y4O10F4]
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
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.4449]
_cell_leng... |
alex<agm001977299> | PrSmHo2 | [R-3m_sg]
data_[Pr3Sm3Ho6]
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
Ho 1.2300 1.7500 1.0410
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.6026]
_cell_length_b [3.6026]
_cell_length_c [3... |
alex<agm001323443> | HfCdCuAg | [F-43m_sg]
data_[Hf4Cd4Cu4Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Cd 1.6900 1.5500 1.0900
Cu 1.9000 1.3500 0.8200
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.5783]
_cell_l... |
alex<agm004804754> | Li2SmScPd4 | [R-3m_sg]
data_[Li6Sm3Sc3Pd12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sm 1.1700 1.8500 1.2290
Sc 1.3600 1.6000 0.8850
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.4720]
_cell_le... |
alex<agm002833320> | AgGeTe2 | [I-42d_sg]
data_[Ag4Ge4Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Ge 2.0100 1.2500 0.7700
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [6.4246]
_cell_length_b [6.4246]
_cell_length_c ... |
alex<agm005212755> | PrSmSiSe | [R3m_sg]
data_[Pr3Sm3Si3Se3]
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
Si 1.9000 1.1000 0.5400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.2335]
_cell_lengt... |
alex<agm001328610> | CaPrTlCd | [F-43m_sg]
data_[Ca4Pr4Tl4Cd4]
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
Tl 1.6200 1.9000 1.3325
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.7852]
_cell_l... |
alex<agm003339855> | Nd3(Al2Au)2 | [C2/m_sg]
data_[Nd6Al8Au4]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9715]
_cell_length_b [4.5779]
_cell_length_c [... |
alex<agm002313625> | Sc2CdCo2 | [Immm_sg]
data_[Sc4Cd2Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Cd 1.6900 1.5500 1.0900
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2337]
_cell_length_b [5.4181]
_cell_length_c [7... |
alex<agm002241110> | Si4As4Os | [P1_sg]
data_[Si4As4Os1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
As 2.1800 1.1500 0.6600
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1904]
_cell_length_b [5.9051]
_cell_length_c [6.470... |
mp-947 | Au2S | [Pn-3m_sg]
data_[Au4S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Au 2.5400 1.3500 1.0700
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pn-3m]
_cell_length_a [5.3471]
_cell_length_b [5.3471]
_cell_length_c [5.3471]
_cell_angle_alpha [90.000... |
alex<agm003210599> | BePt2 | [Pnma_sg]
data_[Be4Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.5224]
_cell_length_b [3.8976]
_cell_length_c [7.3558]
_cell_angle_alpha [90.000... |
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