Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm001168262 | Sm3Tl12Tm5 | data_[Sm24Tm40Tl96]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Tm 1.2500 1.7500 1.0950
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [17.9019]
_cell_length_b [17.9019]
_cell_length_c [17.90... |
oqmd-4116949 | Pd | data_[Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [4.9766]
_cell_length_b [4.9766]
_cell_length_c [2.6804]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
agm003333246 | In2Nd4Pm3 | data_[Pm6Nd8In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Nd 1.1400 1.8500 1.2765
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7634]
_cell_length_b [5.4651]
_cell_length_c [8.7083]
_c... |
agm004837349 | LiN4Np2U | data_[Li2Np4U2N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Np 1.3600 1.7500 1.0000
U 1.3800 1.7500 0.9913
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.7567]
_cell_length_b [4.756... |
agm002310640 | Ru5Tb | data_[Tb2Ru10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.9438]
_cell_length_b [12.3757]
_cell_length_c [3.9377]
_cell_angle_alpha [90.0000]
_cell... |
agm005126926 | CeHfN2 | data_[Ce3Hf3N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Hf 1.3000 1.5500 0.8500
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.2661]
_cell_length_b [3.2661]
_cell_length_c [17.7966]
_cell... |
agm005085783 | Br6KTmV | data_[K2Tm2V2Br12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Tm 1.2500 1.7500 1.0950
V 1.6300 1.3500 0.7775
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [6.9849]
_cell_length_b [6.984... |
agm002889676 | La2RhSe | data_[La8Rh4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Rh 2.2800 1.3500 0.7450
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [7.5868]
_cell_length_b [7.5868]
_cell_length_c [8.2285]
_c... |
agm003552067 | Hg4InTl3 | data_[Tl6In2Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
In 1.7800 1.5500 0.9400
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [6.3945]
_cell_length_b [11.0995]
_cell_length_c [6.5933]
_c... |
agm001467863 | Cs2IInTa | data_[Cs2Ta1In1I1]
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
In 1.7800 1.5500 0.9400
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [7.0871]
_cell_length_b [7.0... |
oqmd-6287827 | BrI4Mo | data_[Mo2I8Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
I 2.6600 1.4000 1.2733
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9806]
_cell_length_b [7.5185]
_cell_length_c [10.1316]
_cell... |
oqmd-9648523 | AsOTlZr | data_[Zr2Tl2As2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Tl 1.6200 1.9000 1.3325
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.9037]
_cell_length_b [3.9... |
agm005116619 | Ga2NbNi | data_[Nb3Ga6Ni3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.9746]
_cell_length_b [3.9746]
_cell_length_c [13.9004]
_ce... |
agm002671371 | Al2BrF | data_[Al8Br4F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Br 2.9600 1.1500 0.8825
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0303]
_cell_length_b [7.0303]
_cell_length_c [7.0303]
_cel... |
agm003466688 | Ca5NaSr2 | data_[Na2Sr4Ca10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Sr 0.9500 2.0000 1.3200
Ca 1.0000 1.8000 1.1400
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [8.0537]
_cell_length_b [16.0591]
_cell_length_c [5.5050]
_... |
agm005762445 | NaPrZn17 | data_[Na3Pr3Zn51]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Pr 1.1300 1.8500 1.0600
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [9.0702]
_cell_length_b [9.0702]
_cell_length_c [13.2724]
_c... |
agm005828230 | CHo3Mg2 | data_[Ho6Mg4C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Mg 1.3100 1.5000 0.8600
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.0860]
_cell_length_b [16.4278]
_cell_length_c [3.4546]
_cel... |
agm004805501 | Hg4Li2MgTh | data_[Li6Th3Mg3Hg12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Th 1.3000 1.8000 1.0800
Mg 1.3100 1.5000 0.8600
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.7538]
_cell_length_b [4.... |
agm005558876 | Dy2Ir3Sm2 | data_[Sm6Dy6Ir9]
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
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.8372]
_cell_length_b [4.8372]
_cell_length_c [24.2223]
_c... |
agm002815080 | CaClY2 | data_[Ca4Y8Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Y 1.2200 1.8000 1.0400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [8.9413]
_cell_length_b [8.9413]
_cell_length_c [6.2117]
_cel... |
agm001135443 | Gd2NiTc | data_[Gd2Tc1Ni1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Tc 1.9000 1.3500 0.7417
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.4695]
_cell_length_b [3.4695]
_cell_length_c [6.7298]
_... |
oqmd-9369538 | LaNdNi2Si2 | data_[La1Nd1Si2Ni2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Nd 1.1400 1.8500 1.2765
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.1408]
_cell_length_b [4.1... |
agm004769474 | AsK2Se4Zn | data_[K16Zn8As8Se32]
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
As 2.1800 1.1500 0.6600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [6.2218]
_cell_length_b [14.... |
agm004498857 | Ag3Ba2CdMg12 | data_[Ba6Mg36Cd3Ag9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Mg 1.3100 1.5000 0.8600
Cd 1.6900 1.5500 1.0900
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.9805]
_cell_length_b [9.... |
agm002528191 | Ge3InMn | data_[Mn1In1Ge3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
In 1.7800 1.5500 0.9400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.6947]
_cell_length_b [4.6947]
_cell_length_c [4.6947]
_c... |
agm003155780 | BaCeZn | data_[Ba2Ce2Zn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ce 1.1200 1.8500 1.0800
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.8686]
_cell_length_b [3.8686]
_cell_length_c [13.7041]
_c... |
agm004951770 | Na2O6PbU | data_[Na6U3Pb3O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
U 1.3800 1.7500 0.9913
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.8067]
_cell_length_b [5.8067]
... |
agm005902055 | Ga2Pr2Y | data_[Pr4Y2Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Y 1.2200 1.8000 1.0400
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.8004]
_cell_length_b [7.8004]
_cell_length_c [4.5722]
_ce... |
agm002597966 | NiSi3Sr | data_[Sr1Si3Ni1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.3939]
_cell_length_b [5.3939]
_cell_length_c [5.3939]
_c... |
agm004550019 | AcCa2Sn2Tl2 | data_[Ca6Ac3Tl6Sn6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ac 1.1000 1.9500 1.2600
Tl 1.6200 1.9000 1.3325
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3365]
_cell_length_b [5.3... |
agm003506385 | Cd6MgSm2 | data_[Sm2Mg1Cd6]
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
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.2683]
_cell_length_b [6.2683]
_cell_length_c [6.5110]
_c... |
agm001959877 | Er2IrTb | data_[Tb3Er6Ir3]
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
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.7161]
_cell_length_b [3.7161]
_cell_length_c [31.3489]
_c... |
agm005952541 | F8MoNa3 | data_[Na3Mo1F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Mo 2.1600 1.4500 0.7750
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.3357]
_cell_length_b [5.3357]
_cell_length_c [5.3357]
_cel... |
agm005032843 | CdRbS3Sb | data_[Rb2Cd2Sb2S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Cd 1.6900 1.5500 1.0900
Sb 2.0500 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.3741]
_cell_length_b [4.1... |
oqmd-5281862 | CaK2O2 | data_[K2Ca1O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ca 1.0000 1.8000 1.1400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.5463]
_cell_length_b [3.5463]
_cell_length_c [4.8868]
_cell_... |
agm003875138 | Ir2PtTc | data_[Tc2Ir4Pt2]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.8675]
_cell_length_b [3.8675]
_cell_length_c [7.8773]
_c... |
agm004368179 | K2RhZr | data_[K2Zr1Rh1]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0408]
_cell_length_b [4.0408]
_cell_length_c [6.1923]
_ce... |
agm003849916 | BeLi | data_[Li1Be1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Be 1.5700 1.0500 0.5900
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.3157]
_cell_length_b [2.3157]
_cell_length_c [4.1419]
_cell_angle_alpha [90.0000]
_cell... |
agm006084587 | PmSc4Tm7 | data_[Pm1Tm7Sc4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Tm 1.2500 1.7500 1.0950
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.9778]
_cell_length_b [6.9041]
_cell_length_c [8.4957]
_cel... |
agm004076625 | KSi2Sr | data_[K3Sr3Si6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Sr 0.9500 2.0000 1.3200
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.6810]
_cell_length_b [3.6810]
_cell_length_c [31.0259]
_cel... |
agm003459631 | Ac4Au2Ca | data_[Ca8Ac32Au16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ac 1.1000 1.9500 1.2600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [10.3650]
_cell_length_b [12.8258]
_cell_length_c [17.0813... |
oqmd-8148292 | MgN2OW | data_[Mg8W8N16O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
W 2.3600 1.3500 0.7667
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.5263]
_cell_length_b [7.6179... |
agm003693775 | Ho12Nd6Pr | data_[Pr3Nd18Ho36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Nd 1.1400 1.8500 1.2765
Ho 1.2300 1.7500 1.0410
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [11.1179]
_cell_length_b [11.1179]
_cell_length_c [17.5197... |
agm002568510 | NiPZr3 | data_[Zr3Ni1P1]
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
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.8187]
_cell_length_b [4.8187]
_cell_length_c [4.8187]
_cel... |
agm002928207 | La2Pb2Ta | data_[La4Ta2Pb4]
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
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2241]
_cell_length_b [4.2241]
_cell_length_c [18.3128]
... |
oqmd-2554641 | CrGaHgTi | data_[Ti4Cr4Ga4Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Cr 1.6600 1.4000 0.9400
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 [6.4697]
_cell_length_b [6.... |
agm003828499 | AsClP2 | data_[As1P2Cl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
As 2.1800 1.1500 0.6600
P 2.1900 1.0000 0.5500
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.6824]
_cell_length_b [4.5465]
_cell_length_c [6.0661]
_cell_a... |
agm005421813 | AlOs2 | data_[Al4Os8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.7926]
_cell_length_b [2.8047]
_cell_length_c [6.3902]
_cell_angle_alpha [90.0000]
_cell_ang... |
agm005643815 | Co3Er8Rh2 | data_[Er16Co6Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Co 1.8800 1.3500 0.7683
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [9.3800]
_cell_length_b [13.3856]
_cell_length_c [4.6858]
_... |
oqmd-6727744 | Au6HfNd | data_[Nd1Hf1Au6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Hf 1.3000 1.5500 0.8500
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.9611]
_cell_length_b [6.2746]
_cell_length_c [5.0760]
_ce... |
agm002188717 | Fe5SiSn | data_[Fe5Si1Sn1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1515]
_cell_length_b [4.1515]
_cell_length_c [5.4653]
_... |
agm002547378 | Na3PPd | data_[Na3P1Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
P 2.1900 1.0000 0.5500
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.3165]
_cell_length_b [5.3165]
_cell_length_c [5.3165]
_cel... |
agm004851420 | Ag2O4PtSi | data_[Si2Ag4Pt2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Ag 1.9300 1.6000 1.0867
Pt 2.2800 1.3500 0.8050
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.8038]
_cell_length_b [6.008... |
oqmd-8893897 | K2Se3V | data_[K4V2Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
V 1.6300 1.3500 0.7775
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.0749]
_cell_length_b [7.4445]
_cell_length_c [8.6052]
_cell_an... |
agm2000019538 | Cl2Fe | data_[Fe2Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.8006]
_cell_length_b [19.4499]
_cell_length_c [6.2219]
_cell_angle_alpha [90.0000]
_cel... |
agm003116627 | NaSrTa | data_[Na2Sr2Ta2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Sr 0.9500 2.0000 1.3200
Ta 1.5000 1.4500 0.8200
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.4050]
_cell_length_b [4.7905]
_cell_length_c [13.9342]
_ce... |
oqmd-6770499 | GaKPtTl | data_[K4Tl4Ga4Pt4]
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
Ga 1.8100 1.3000 0.7600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4437]
_cell_length_b [13.... |
agm004994030 | CeLaPrY2 | data_[La2Ce2Pr2Y4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ce 1.1200 1.8500 1.0800
Pr 1.1300 1.8500 1.0600
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [8.6632]
_cell_length_b [6.468... |
agm001063975 | CeNTc | data_[Ce2Tc2N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Tc 1.9000 1.3500 0.7417
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [3.4302]
_cell_length_b [3.4561]
_cell_length_c [8.6788]
_cell... |
agm005067370 | CdCl5MnNa | data_[Na4Mn4Cd4Cl20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Mn 1.5500 1.4000 0.6483
Cd 1.6900 1.5500 1.0900
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.5817]
_cell_length_b [11... |
agm005203205 | AsCeFPd | data_[Ce2As2Pd2F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
As 2.1800 1.1500 0.6600
Pd 2.2000 1.4000 0.8462
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.0274]
_cell_length_b [4.0... |
agm004306929 | AsBaHg2 | data_[Ba1Hg2As1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Hg 2.0000 1.5000 1.2450
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.8245]
_cell_length_b [4.4879]
_cell_length_c [6.0687]
_cell... |
agm005460161 | Ta2Zr | data_[Zr4Ta8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ta 1.5000 1.4500 0.8200
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [2.8243]
_cell_length_b [16.7204]
_cell_length_c [5.0499]
_cell_angle_alpha [90.0000]
_cell_... |
oqmd-2591829 | CuGeLuRe | data_[Lu4Cu4Re4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Cu 1.9000 1.3500 0.8200
Re 1.9000 1.3500 0.7125
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.5161]
_cell_length_b [7.... |
agm001593211 | BaFeRb2Tl | data_[Rb2Ba1Tl1Fe1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ba 0.8900 2.1500 1.4900
Tl 1.6200 1.9000 1.3325
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [7.2018]
_cell_length_b [7... |
agm003757195 | RbSn4Zn | data_[Rb4Zn4Sn16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Zn 1.6500 1.3500 0.8800
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.1269]
_cell_length_b [7.7274]
_cell_length_c [6.0384]
_... |
agm001184728 | AcAu4S | data_[Ac4Au16S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Au 2.5400 1.3500 1.0700
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.0609]
_cell_length_b [8.0609]
_cell_length_c [8.0609]
_ce... |
agm001473585 | BFeTa2V | data_[Ta2V1Fe1B1]
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
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 [4.5501]
_cell_length_b [4.550... |
agm004619879 | As6Ce3PuTh2 | data_[Ce6Pu2Th4As12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Pu 1.2800 1.7500 0.9675
Th 1.3000 1.8000 1.0800
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3153]
_cell_length_b [12... |
oqmd-9360922 | Sr2Zn | data_[Sr4Zn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9784]
_cell_length_b [3.9784]
_cell_length_c [14.1445]
_cell_angle_alpha [90.0000]
_cel... |
oqmd-4589202 | BeNOSc | data_[Sc4Be4N4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Be 1.5700 1.0500 0.5900
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pca2_1]
_cell_length_a [4.7312]
_cell_length_b [7.072... |
agm2000061065 | Te3TiV | data_[Ti1V1Te3]
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
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.2775]
_cell_length_b [19.1596]
_cell_length_c [6.4128]
_cel... |
agm005115341 | BaInTe2 | data_[Ba3In3Te6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
In 1.7800 1.5500 0.9400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.6710]
_cell_length_b [4.6710]
_cell_length_c [24.0212]
_ce... |
agm005576437 | Hg3K3Pd2 | data_[K12Hg12Pd8]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.0907]
_cell_length_b [16.5133]
_cell_length_c [6.4978]
_c... |
mp-2715628 | HfNaNbO12P2Si | data_[Na12Hf12Nb12Si12P24O144]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Hf 1.3000 1.5500 0.8500
Nb 1.6000 1.4500 0.8200
Si 1.9000 1.1000 0.5400
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_spac... |
agm002232351 | K2P2Ru | data_[K8P8Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
P 2.1900 1.0000 0.5500
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.3713]
_cell_length_b [15.4836]
_cell_length_c [5.2607]
_cell_... |
agm2000139302 | FeTe4Zr | data_[Zr2Fe2Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Fe 1.8300 1.4000 0.8525
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.6143]
_cell_length_b [3.7656]
_cell_length_c [18.8068]... |
agm003894008 | ClPSi2 | data_[Si4P2Cl2]
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
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.0074]
_cell_length_b [3.3456]
_cell_length_c [5.7570]
_cell_... |
agm001658901 | AuMg2RbTl | data_[Rb1Mg2Tl1Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Mg 1.3100 1.5000 0.8600
Tl 1.6200 1.9000 1.3325
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.3270]
_cell_length_b [5... |
agm003840965 | AsAu2Br | data_[As2Au4Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
As 2.1800 1.1500 0.6600
Au 2.5400 1.3500 1.0700
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.1164]
_cell_length_b [4.7199]
_cell_length_c [11.5030]
_c... |
agm002953459 | Al2Cu2W | data_[Al4Cu4W2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.0895]
_cell_length_b [7.0895]
_cell_length_c [2.7356]
_ce... |
agm2000055052 | Cl3FRe | data_[Re2Cl6F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
Cl 3.1600 1.0000 0.7800
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [19.5543]
_cell_length_b [3.3726]
_cell_length_c [11.8987]
_ce... |
agm002449453 | ClMo3Ni | data_[Ni1Mo3Cl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Mo 2.1600 1.4500 0.7750
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.3601]
_cell_length_b [4.3601]
_cell_length_c [4.3601]
_c... |
agm004942761 | BaCs2S6U | data_[Cs8Ba4U4S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ba 0.8900 2.1500 1.4900
U 1.3800 1.7500 0.9913
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.2813]
_cell_length_b [11.2... |
agm004681093 | Ag3GeI8Tl3 | data_[Tl9Ag9Ge3I24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Ag 1.9300 1.6000 1.0867
Ge 2.0100 1.2500 0.7700
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.9997]
_cell_length_b [8.99... |
agm004791193 | Al2ErPd4Si | data_[Er3Al6Si3Pd12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Al 1.6100 1.2500 0.6750
Si 1.9000 1.1000 0.5400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.3095]
_cell_length_b [4.... |
agm003976504 | AlBrW | data_[Al1W1Br1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
W 2.3600 1.3500 0.7667
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.0194]
_cell_length_b [3.0194]
_cell_length_c [7.6573]
_cell... |
agm004782030 | IrN4PmPu2 | data_[Pm4Pu8Ir4N16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Pu 1.2800 1.7500 0.9675
Ir 2.2000 1.3500 0.7650
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.3848]
_cell_length_b [11.6... |
agm001120010 | PrPt2Th | data_[Pr1Th1Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Th 1.3000 1.8000 1.0800
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6515]
_cell_length_b [3.6515]
_cell_length_c [7.2863]
_... |
agm003413697 | Ac2HgIn3 | data_[Ac2In3Hg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
In 1.7800 1.5500 0.9400
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.0724]
_cell_length_b [5.1010]
_cell_length_c [8.8614]
_ce... |
agm001049622 | PbPdSc | data_[Sc4Pd4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Pd 2.2000 1.4000 0.8462
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.5030]
_cell_length_b [3.5030]
_cell_length_c [22.2613]
... |
agm005949675 | AgPu2Si2 | data_[Pu4Si4Ag2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Si 1.9000 1.1000 0.5400
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.8838]
_cell_length_b [6.8838]
_cell_length_c [4.4004]
_... |
agm003684748 | Cu12Ga6Sr | data_[Sr3Ga18Cu36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [10.8047]
_cell_length_b [10.8047]
_cell_length_c [8.7017]... |
agm003854621 | CuOsTe2 | data_[Cu1Te2Os1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.3234]
_cell_length_b [4.6742]
_cell_length_c [4.8970]
_ce... |
agm001511462 | CaClSbZr2 | data_[Ca1Zr2Sb1Cl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Zr 1.3300 1.5500 0.8600
Sb 2.0500 1.4500 0.8300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.8356]
_cell_length_b [4... |
agm005111210 | IrPm2Se | data_[Pm6Ir3Se3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Ir 2.2000 1.3500 0.7650
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.0962]
_cell_length_b [4.0962]
_cell_length_c [21.9286]
_ce... |
agm001129548 | HgPaSe2 | data_[Pa1Hg1Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Hg 2.0000 1.5000 1.2450
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5396]
_cell_length_b [3.5396]
_cell_length_c [8.8278]
_... |
agm003511687 | Hf7NbPb2 | data_[Hf28Nb4Pb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Nb 1.6000 1.4500 0.8200
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.3024]
_cell_length_b [10.3024]
_cell_length_c [10.3024... |
agm004408075 | AgBa2Os | data_[Ba6Ag3Os3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ag 1.9300 1.6000 1.0867
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.4638]
_cell_length_b [4.4638]
_cell_length_c [25.4600]
_c... |
agm004923761 | Ac2BeO6V | data_[Ac12Be6V6O36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Be 1.5700 1.0500 0.5900
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.5302]
_cell_length_b [5.530... |
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