Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
oqmd-7564792 | AgEuSSnTe2 | data_[Eu4Ag4Sn4Te8S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Ag 1.9300 1.6000 1.0867
Sn 1.9600 1.4500 0.8300
Te 2.1000 1.4000 1.2933
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_... |
agm001272824 | EuHoSb | data_[Eu1Ho1Sb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Ho 1.2300 1.7500 1.0410
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.1076]
_cell_length_b [5.1076]
_cell_length_c [4.3434]
_ce... |
agm005797367 | BrNiS4 | data_[Ni4S16Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
S 2.5800 1.0000 0.8800
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.6555]
_cell_length_b [11.6918]
_cell_length_c [6.2093]
_ce... |
oqmd-6398273 | Cl6FeGeRb2 | data_[Rb8Fe4Ge4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Fe 1.8300 1.4000 0.8525
Ge 2.0100 1.2500 0.7700
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.2201]
_cell_length_b [... |
agm004616992 | Er3Pr2Te6Tm | data_[Pr4Er6Tm2Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Er 1.2400 1.7500 1.0300
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 [19.2773]
_cell_length_b [4... |
agm005519403 | CIr3 | data_[Ir12C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ir 2.2000 1.3500 0.7650
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.6241]
_cell_length_b [7.6162]
_cell_length_c [4.8666]
_cell_angle_alpha [90.0000]
_cell_an... |
agm003655550 | OPu4Te5 | data_[Pu8Te10O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3704]
_cell_length_b [4.1387]
_cell_length_c [8.0587]
_ce... |
agm005234492 | IN | data_[I4N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
I 2.6600 1.4000 1.2733
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.2011]
_cell_length_b [5.2011]
_cell_length_c [5.2011]
_cell_angle_alpha [90.0000]
_cell_angl... |
agm002955759 | AlAs2Hf2 | data_[Hf4Al2As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Al 1.6100 1.2500 0.6750
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.4115]
_cell_length_b [7.4115]
_cell_length_c [3.5609]
_... |
agm003982025 | Ca2IrPt | data_[Ca4Ir2Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ir 2.2000 1.3500 0.7650
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.1872]
_cell_length_b [4.1872]
_cell_length_c [9.2794]
_c... |
agm001131695 | Co2HV | data_[V1Co2H1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Co 1.8800 1.3500 0.7683
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.6781]
_cell_length_b [2.6781]
_cell_length_c [5.2829]
_cell... |
agm003854375 | IrP2Y | data_[Y2P4Ir2]
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
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.9900]
_cell_length_b [6.1025]
_cell_length_c [6.2808]
_cell_a... |
agm004824870 | Dy2PmSe4Sr | data_[Sr1Pm1Dy2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Pm 1.1300 1.8500 1.1100
Dy 1.2200 1.7500 1.1310
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.2569]
_cell_length_b [4.1... |
agm005981594 | Li2PaPt8 | data_[Li4Pa2Pt16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Pa 1.5000 1.8000 1.0400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.4983]
_cell_length_b [4.0564]
_cell_length_c [6.3454]
_... |
agm002623415 | ISbY3 | data_[Y3Sb1I1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Sb 2.0500 1.4500 0.8300
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.7623]
_cell_length_b [5.7623]
_cell_length_c [5.7623]
_cell_... |
agm002228020 | CrCsO2 | data_[Cs4Cr4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.1377]
_cell_length_b [12.9339]
_cell_length_c [5.8041]
_cel... |
agm004697307 | CeHo3Pm3S8 | data_[Ce3Pm9Ho9S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Pm 1.1300 1.8500 1.1100
Ho 1.2300 1.7500 1.0410
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.9092]
_cell_length_b [7.90... |
agm004668430 | HgO8Os2Rb3 | data_[Rb3Hg1Os2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Hg 2.0000 1.5000 1.2450
Os 2.2000 1.3000 0.6730
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.3019]
_cell_length_b [6.30... |
agm004922671 | BBa2NbO6 | data_[Ba4Nb2B2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Nb 1.6000 1.4500 0.8200
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [6.4253]
_cell_length_b [6.42... |
oqmd-9516577 | CsHg4Na | data_[Cs2Na2Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Na 0.9300 1.8000 1.1600
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.4428]
_cell_length_b [8.5402]
_cell_length_c [9.0955]
_ce... |
agm005808953 | Ge2O6Th | data_[Th4Ge8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Ge 2.0100 1.2500 0.7700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.7171]
_cell_length_b [10.1954]
_cell_length_c [5.7809]
_c... |
oqmd-3531863 | GeHgOTe | data_[Hg2Ge2Te2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
Ge 2.0100 1.2500 0.7700
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.3776]
_cell_length_b [4.3... |
agm003828162 | CuKMg2 | data_[K3Mg6Cu3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Mg 1.3100 1.5000 0.8600
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.9926]
_cell_length_b [3.9926]
_cell_length_c [26.1090]
_cel... |
agm003942475 | CdLaTa2 | data_[La1Ta2Cd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ta 1.5000 1.4500 0.8200
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.4862]
_cell_length_b [3.4862]
_cell_length_c [7.8095]
_ce... |
agm001098162 | PaPmSe2 | data_[Pm4Pa4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Pa 1.5000 1.8000 1.0400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1500]
_cell_length_b [7.1500]
_cell_length_c [7.1500]
_c... |
agm005189365 | AcHoPmSm | data_[Ac1Pm1Sm1Ho1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Pm 1.1300 1.8500 1.1100
Sm 1.1700 1.8500 1.2290
Ho 1.2300 1.7500 1.0410
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.5398]
_cell_length_b [5.8... |
agm004620966 | ClOs3P2Th6 | data_[Th12P4Os6Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
P 2.1900 1.0000 0.5500
Os 2.2000 1.3000 0.6730
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.4795]
_cell_length_b [4.1... |
agm002910086 | AsIn2Ir2 | data_[In4As2Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
As 2.1800 1.1500 0.6600
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.6569]
_cell_length_b [3.6569]
_cell_length_c [15.4283]
... |
oqmd-5649506 | InIrPr | data_[Pr4In4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
In 1.7800 1.5500 0.9400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.2679]
_cell_length_b [4.4446]
_cell_length_c [8.5855]
_ce... |
mp-1216482 | CrFe3O16V4 | data_[V8Cr2Fe6O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Cr 1.6600 1.4000 0.9400
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [10.0457]
_cell_length_b [9.0879]... |
agm001504767 | C2MgTeZr | data_[Mg1Zr1Te1C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Zr 1.3300 1.5500 0.8600
Te 2.1000 1.4000 1.2933
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1404]
_cell_length_b [4.1... |
agm001646487 | IrKNaSr2 | data_[K1Na1Sr2Ir1]
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
Sr 0.9500 2.0000 1.3200
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.8525]
_cell_length_b [5.8... |
oqmd-9127859 | Mn2O6Yb | data_[Yb2Mn4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Mn 1.5500 1.4000 0.6483
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.7134]
_cell_length_b [3.7225]
_cell_length_c [6.7003]
_cel... |
agm004900957 | CsHf2O8Te | data_[Cs2Hf4Te2O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Hf 1.3000 1.5500 0.8500
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.1406]
_cell_length_b [6.19... |
agm003877640 | Ag2PRu | data_[Ag8P4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
P 2.1900 1.0000 0.5500
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.2946]
_cell_length_b [6.2946]
_cell_length_c [6.2946]
_cel... |
agm003747227 | Al4NaPd | data_[Na2Al8Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Al 1.6100 1.2500 0.6750
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [8.0860]
_cell_length_b [3.9849]
_cell_length_c [6.8891]
_ce... |
agm005924319 | SnY4Zn3 | data_[Y12Zn9Sn3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Zn 1.6500 1.3500 0.8800
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.1188]
_cell_length_b [5.1188]
_cell_length_c [25.3421]
_ce... |
agm004408826 | AuP2Te | data_[Te2P4Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
P 2.1900 1.0000 0.5500
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7556]
_cell_length_b [3.1634]
_cell_length_c [7.2178]
_cel... |
agm002867818 | NbNi2Tl | data_[Nb4Tl4Ni8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Tl 1.6200 1.9000 1.3325
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [6.9112]
_cell_length_b [6.9112]
_cell_length_c [5.5774]
_c... |
agm004631239 | Ac2LaSm3Y6 | data_[Ac4La2Sm6Y12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
La 1.1000 1.9500 1.1720
Sm 1.1700 1.8500 1.2290
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3929]
_cell_length_b [11.0... |
agm005068463 | GeI6NpRb | data_[Rb2Np2Ge2I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Np 1.3600 1.7500 1.0000
Ge 2.0100 1.2500 0.7700
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [8.0060]
_cell_length_b [8.0... |
agm002049679 | CPSi2 | data_[Si2P1C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
P 2.1900 1.0000 0.5500
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.2525]
_cell_length_b [4.4426]
_cell_length_c [4.6003]
_cell_ang... |
agm004395409 | LaMoTa2 | data_[La3Ta6Mo3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ta 1.5000 1.4500 0.8200
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.1889]
_cell_length_b [3.1889]
_cell_length_c [28.3704]
_ce... |
oqmd-3705717 | CeK | data_[K4Ce4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ce 1.1200 1.8500 1.0800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1383]
_cell_length_b [7.1383]
_cell_length_c [7.1383]
_cell_angle_alpha [90.0000]
_cell_an... |
agm005471065 | FeRu4Tc | data_[Fe4Tc4Ru16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Tc 1.9000 1.3500 0.7417
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1010]
_cell_length_b [7.1010]
_cell_length_c [7.1010]
_... |
agm004742983 | BrF2La2Se | data_[La2Se1Br1F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Se 2.5500 1.1500 1.0133
Br 2.9600 1.1500 0.8825
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.2094]
_cell_length_b [4.20... |
agm001509438 | AsIInSe2 | data_[In1As1Se2I1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
As 2.1800 1.1500 0.6600
Se 2.5500 1.1500 1.0133
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.2218]
_cell_length_b [5.2... |
agm004831089 | Pm2PrPuS4 | data_[Pm2Pr1Pu1S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Pr 1.1300 1.8500 1.0600
Pu 1.2800 1.7500 0.9675
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.9910]
_cell_length_b [4.020... |
agm005638988 | ClLaRu | data_[La6Ru6Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ru 2.2000 1.3000 0.6610
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.2624]
_cell_length_b [4.2624]
_cell_length_c [32.6024]
_c... |
agm001614017 | HHgNiZr2 | data_[Zr2Ni1Hg1H1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ni 1.9100 1.3500 0.7400
Hg 2.0000 1.5000 1.2450
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.4748]
_cell_length_b [4.4... |
agm002890708 | LaRbSi2 | data_[Rb4La4Si8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
La 1.1000 1.9500 1.1720
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [5.3324]
_cell_length_b [5.3324]
_cell_length_c [21.0263... |
agm006090960 | Cu5LiPd6 | data_[Li2Cu10Pd12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cu 1.9000 1.3500 0.8200
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.2525]
_cell_length_b [12.7643]
_cell_length_c [6.0611]
... |
agm005967338 | BePu2Si2 | data_[Pu8Be4Si8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Be 1.5700 1.0500 0.5900
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7141]
_cell_length_b [3.9700]
_cell_length_c [9.7913]
_c... |
agm004649488 | Pm6Pr3ScSm2 | data_[Pm12Pr6Sm4Sc2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Pr 1.1300 1.8500 1.0600
Sm 1.1700 1.8500 1.2290
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2947]
_cell_length_b [10... |
agm002730215 | Cs2OsS | data_[Cs8Os4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Os 2.2000 1.3000 0.6730
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.5258]
_cell_length_b [8.5258]
_cell_length_c [8.5258]
_cel... |
agm004983690 | Er6Pm2TbTm | data_[Tb4Pm8Er24Tm4]
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
Er 1.2400 1.7500 1.0300
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.9621]
_cell_length_b [14... |
agm001176168 | GdHfOs4 | data_[Gd4Hf4Os16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Hf 1.3000 1.5500 0.8500
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.4973]
_cell_length_b [7.4973]
_cell_length_c [7.4973]
_... |
agm003378312 | H4Rb3S4 | data_[Rb6H8S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
H 2.2000 0.2500 0.0000
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.8181]
_cell_length_b [7.2808]
_cell_length_c [16.0672]
_cell_... |
mp-1111922 | Br6K2LiTa | data_[K8Li4Ta4Br24]
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
Ta 1.5000 1.4500 0.8200
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.7099]
_cell_length_b [10... |
agm005190344 | HfPdReZr | data_[Hf1Zr1Re1Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Zr 1.3300 1.5500 0.8600
Re 1.9000 1.3500 0.7125
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.3117]
_cell_length_b [3.3... |
oqmd-9337771 | CeIr2Pr | data_[Ce2Pr2Ir4]
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
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.2582]
_cell_length_b [4.1022]
_cell_length_c [11.0338]
_c... |
agm002643882 | Be2CaIr | data_[Ca4Be8Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Be 1.5700 1.0500 0.5900
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0860]
_cell_length_b [6.0860]
_cell_length_c [6.0860]
_c... |
agm001039786 | GaTcW | data_[Ga8Tc8W8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Tc 1.9000 1.3500 0.7417
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.5388]
_cell_length_b [6.9253]
_cell_length_c [10.7278]
_cel... |
agm005479355 | CSc5 | data_[Sc5C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.0475]
_cell_length_b [3.0475]
_cell_length_c [12.9223]
_cell_angle_alpha [90.0000]
_cell_... |
agm001633615 | CdHSc2Tc | data_[Sc2Cd1Tc1H1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Cd 1.6900 1.5500 1.0900
Tc 1.9000 1.3500 0.7417
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.7225]
_cell_length_b [4.7... |
agm003442947 | Ho4TlTm2 | data_[Ho8Tm4Tl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Tm 1.2500 1.7500 1.0950
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.5741]
_cell_length_b [6.7254]
_cell_length_c [11.5689]
... |
agm005903533 | H2InSn4 | data_[In2Sn8H4]
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
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.1368]
_cell_length_b [16.8507]
_cell_length_c [3.3782]
_cel... |
agm006055741 | Ag5S5U | data_[U2Ag10S10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4591]
_cell_length_b [5.3379]
_cell_length_c [7.5858]
_cel... |
agm001365535 | BiGaGdPm | data_[Pm4Gd4Ga4Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Gd 1.2000 1.8000 1.0750
Ga 1.8100 1.3000 0.7600
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.6324]
_cell_length_b [7.... |
agm005678863 | ScThTl | data_[Th2Sc2Tl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Sc 1.3600 1.6000 0.8850
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.3117]
_cell_length_b [5.3117]
_cell_length_c [6.5650]... |
agm004224236 | AsCo2Cu | data_[Co4Cu2As2]
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
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.5931]
_cell_length_b [3.5931]
_cell_length_c [7.4857]
_c... |
agm006109072 | Er8MgTb5 | data_[Tb10Er16Mg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Er 1.2400 1.7500 1.0300
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [9.5144]
_cell_length_b [9.5144]
_cell_length_c [9.8759]
_c... |
agm001600616 | HfMg2TaY | data_[Y1Hf1Mg2Ta1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Hf 1.3000 1.5500 0.8500
Mg 1.3100 1.5000 0.8600
Ta 1.5000 1.4500 0.8200
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0873]
_cell_length_b [5.0... |
agm005745717 | Dy2Ga6Mn | data_[Dy8Mn4Ga24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Mn 1.5500 1.4000 0.6483
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.7345]
_cell_length_b [8.7345]
_cell_length_c [8.7345]
_... |
agm004822785 | AsNSe2Tb4 | data_[Tb4As1Se2N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
As 2.1800 1.1500 0.6600
Se 2.5500 1.1500 1.0133
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8464]
_cell_length_b [3.917... |
agm004926818 | Au6BeSiSm2 | data_[Sm6Be3Si3Au18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Be 1.5700 1.0500 0.5900
Si 1.9000 1.1000 0.5400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.6043]
_cell_length_b [6.6... |
agm005813865 | AlF6Ru | data_[Al2Ru2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Ru 2.2000 1.3000 0.6610
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [4.8227]
_cell_length_b [4.8227]
_cell_length_c [9.0399]
_ce... |
agm001431757 | Ga2NPZn | data_[Zn1Ga2P1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ga 1.8100 1.3000 0.7600
P 2.1900 1.0000 0.5500
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.7467]
_cell_length_b [4.746... |
agm005430625 | AsSeTa4 | data_[Ta16As4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
As 2.1800 1.1500 0.6600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.7945]
_cell_length_b [7.7945]
_cell_length_c [7.7945]
_... |
agm004980367 | ErPm2ScTm6 | data_[Pm8Er4Tm24Sc4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Er 1.2400 1.7500 1.0300
Tm 1.2500 1.7500 1.0950
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.9006]
_cell_length_b [14... |
agm001376565 | AuCeInTb | data_[Tb4Ce4In4Au4]
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
In 1.7800 1.5500 0.9400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.5123]
_cell_length_b [7.... |
agm005862533 | AcHf2N3 | data_[Ac2Hf4N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Hf 1.3000 1.5500 0.8500
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.5292]
_cell_length_b [4.4344]
_cell_length_c [11.4451]
_cel... |
agm001354003 | AgCeSmTc | data_[Ce4Sm4Tc4Ag4]
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
Tc 1.9000 1.3500 0.7417
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1550]
_cell_length_b [7.... |
agm006120445 | Br6K5Na | data_[K10Na2Br12]
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
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.0663]
_cell_length_b [13.9821]
_cell_length_c [8.0601]
_c... |
agm002869726 | O2RbRu | data_[Rb4Ru4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.3440]
_cell_length_b [5.3440]
_cell_length_c [10.5807]
_ce... |
oqmd-2226810 | MnO4 | data_[Mn2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4_2/nmc]
_cell_length_a [5.6140]
_cell_length_b [5.6140]
_cell_length_c [3.8821]
_cell_angle_alpha [90.0000]
_cell... |
agm001078384 | Ni4RhV2 | data_[V4Ni8Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Ni 1.9100 1.3500 0.7400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.5082]
_cell_length_b [4.5082]
_cell_length_c [11.3706]
_c... |
oqmd-3758595 | MoN | data_[Mo4N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [5.4895]
_cell_length_b [3.4027]
_cell_length_c [4.8475]
_cell_angle_alpha [90.0000]
_cell_ang... |
oqmd-5674622 | Cl3Li2Rb | data_[Rb2Li4Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Li 0.9800 1.4500 0.9000
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.3262]
_cell_length_b [5.1692]
_cell_length_c [12.4058]
_c... |
mp-1209695 | Mg4Ni7Sm23 | data_[Sm46Mg8Ni14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Mg 1.3100 1.5000 0.8600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [9.8885]
_cell_length_b [9.8885]
_cell_length_c [22.3893... |
agm004568219 | Er2Ga4Tm2Zn | data_[Er4Tm4Zn2Ga8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Tm 1.2500 1.7500 1.0950
Zn 1.6500 1.3500 0.8800
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [6.8911]
_cell_length_b [6... |
agm005144668 | NaO5PtSm2 | data_[Na2Sm4Pt2O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Sm 1.1700 1.8500 1.2290
Pt 2.2800 1.3500 0.8050
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.7237]
_cell_length_b [6.... |
oqmd-6774335 | Al4Cu2MgSc | data_[Mg2Sc2Al8Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Sc 1.3600 1.6000 0.8850
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.7317]
_cell_length_b [4.6... |
agm003663507 | Ho6In4Pm | data_[Pm1Ho6In4]
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
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [10.0702]
_cell_length_b [10.0702]
_cell_length_c [3.7079]
... |
agm005660846 | PmTb2Th6 | data_[Tb2Pm1Th6]
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
Th 1.3000 1.8000 1.0800
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.5456]
_cell_length_b [3.5456]
_cell_length_c [27.0674]
_... |
agm003919625 | FeInSb2 | data_[In2Fe2Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Fe 1.8300 1.4000 0.8525
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.3971]
_cell_length_b [4.8225]
_cell_length_c [11.7140]
_c... |
agm004815228 | AsPa4RuTe2 | data_[Pa4Te2As1Ru1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Te 2.1000 1.4000 1.2933
As 2.1800 1.1500 0.6600
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.3041]
_cell_length_b [4.0... |
agm004017070 | ClTl2W | data_[Tl4W2Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
W 2.3600 1.3500 0.7667
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.0733]
_cell_length_b [3.0897]
_cell_length_c [5.6076]
_cell_... |
agm001034038 | FePaS | data_[Pa2Fe2S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Fe 1.8300 1.4000 0.8525
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.6277]
_cell_length_b [4.8343]
_cell_length_c [6.1154]
_ce... |
agm003850842 | Au2ClZr | data_[Zr1Au2Cl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Au 2.5400 1.3500 1.0700
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.1387]
_cell_length_b [3.1387]
_cell_length_c [8.8172]
_ce... |
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