Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm006081232 | Nd6TmY5 | data_[Nd12Y10Tm2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Y 1.2200 1.8000 1.0400
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.1486]
_cell_length_b [10.1349]
_cell_length_c [15.4036]
_... |
agm002302673 | OSeTbZn | data_[Tb2Zn2Se2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Zn 1.6500 1.3500 0.8800
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [3.8013]
_cell_length_b [3.8... |
agm004878665 | BiO8V2Zn | data_[V2Zn1Bi1O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Zn 1.6500 1.3500 0.8800
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.7865]
_cell_length_b [5.7865... |
agm005915297 | In3Pd12Tb | data_[Tb1In3Pd12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
In 1.7800 1.5500 0.9400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0652]
_cell_length_b [4.0652]
_cell_length_c [16.2443]... |
agm005017717 | BiHOPr2 | data_[Pr4Bi2H2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Bi 2.0200 1.6000 1.0350
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.0827]
_cell_length_b [4.0827... |
agm001836739 | GaLuSm | data_[Sm2Lu2Ga2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Lu 1.2700 1.7500 1.0010
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.4801]
_cell_length_b [3.4801]
_cell_length_c [12.9822]
_c... |
agm002495821 | HSb3Sn | data_[Sn1Sb3H1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Sb 2.0500 1.4500 0.8300
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.7387]
_cell_length_b [5.7387]
_cell_length_c [5.7387]
_cel... |
agm004783351 | ErN4Pa2Rh | data_[Er4Pa8Rh4N16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Pa 1.5000 1.8000 1.0400
Rh 2.2800 1.3500 0.7450
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.4949]
_cell_length_b [11.4... |
agm002687117 | CoFeK2 | data_[K8Fe4Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Fe 1.8300 1.4000 0.8525
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.9788]
_cell_length_b [7.9788]
_cell_length_c [7.9788]
_cel... |
agm001482875 | OsRuTcTe2 | data_[Tc1Te2Os1Ru1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
Te 2.1000 1.4000 1.2933
Os 2.2000 1.3000 0.6730
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0193]
_cell_length_b [5... |
agm004385848 | C3W | data_[W3C9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
W 2.3600 1.3500 0.7667
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.5514]
_cell_length_b [6.5514]
_cell_length_c [3.0540]
_cell_angle_alpha [90.0000]
_cell_angle... |
agm005688831 | AcNdPt2 | data_[Ac2Nd2Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Nd 1.1400 1.8500 1.2765
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.9871]
_cell_length_b [4.6016]
_cell_length_c [8.0716]
_... |
agm005913423 | C2OSm4 | data_[Sm12C6O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.6502]
_cell_length_b [3.6502]
_cell_length_c [37.4077]
_cell... |
agm002596719 | LaRb3Se | data_[Rb3La1Se1]
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
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [6.7066]
_cell_length_b [6.7066]
_cell_length_c [6.7066]
_c... |
agm004026061 | AsAu2Si | data_[Si2As2Au4]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [2.8340]
_cell_length_b [4.1993]
_cell_length_c [12.8973]
_c... |
agm003973709 | Fe2MgSc | data_[Mg1Sc1Fe2]
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
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.9061]
_cell_length_b [4.1094]
_cell_length_c [5.5659]
_cell... |
agm001321188 | CeMgThY | data_[Ce4Y4Th4Mg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Y 1.2200 1.8000 1.0400
Th 1.3000 1.8000 1.0800
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.8047]
_cell_length_b [7.80... |
agm2000094579 | BrTlZn | data_[Tl4Zn4Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Zn 1.6500 1.3500 0.8800
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [4.9544]
_cell_length_b [18.2887]
_cell_length_c [16.8878]
_... |
agm004610929 | P3Pm6S2Sb | data_[Pm12Sb2P6S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Sb 2.0500 1.4500 0.8300
P 2.1900 1.0000 0.5500
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.1985]
_cell_length_b [4.161... |
agm001180172 | HoMo4Th | data_[Ho4Th4Mo16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Th 1.3000 1.8000 1.0800
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.8604]
_cell_length_b [7.8604]
_cell_length_c [7.8604]
_... |
agm002886816 | CoIn2Sc | data_[Sc4In8Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
In 1.7800 1.5500 0.9400
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [4.0877]
_cell_length_b [4.0877]
_cell_length_c [20.2538]
_... |
agm001582311 | AuGeNNa2 | data_[Na2Ge1Au1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ge 2.0100 1.2500 0.7700
Au 2.5400 1.3500 1.0700
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.8800]
_cell_length_b [4.8... |
agm001663793 | AlBiHg2Sr | data_[Sr1Al1Hg2Bi1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Al 1.6100 1.2500 0.6750
Hg 2.0000 1.5000 1.2450
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.2224]
_cell_length_b [5... |
agm001047600 | AuPU | data_[U2P2Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
P 2.1900 1.0000 0.5500
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.8911]
_cell_length_b [3.8911]
_cell_length_c [8.2751]
_cell... |
agm005213181 | CErPaPb | data_[Er3Pa3Pb3C3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Pa 1.5000 1.8000 1.0400
Pb 2.3300 1.8000 1.1225
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.4857]
_cell_length_b [3.4857... |
oqmd-4475999 | Ac2Pu | data_[Ac16Pu8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Pu 1.2800 1.7500 0.9675
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [13.1532]
_cell_length_b [13.1532]
_cell_length_c [13.1532]
_cell_angle_alpha [90.0000]
_c... |
agm004373951 | Pt2SeSr | data_[Sr1Pt2Se1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Pt 2.2800 1.3500 0.8050
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.1770]
_cell_length_b [4.3908]
_cell_length_c [5.3870]
_ce... |
agm004567989 | Al4CuHf2Zr2 | data_[Hf4Zr4Al8Cu2]
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
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [6.0864]
_cell_length_b [6... |
agm004261133 | As2FeRu | data_[Fe3As6Ru3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
As 2.1800 1.1500 0.6600
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.9776]
_cell_length_b [2.9776]
_cell_length_c [22.2142]
_c... |
agm005704575 | Bi4Pd8Sr3 | data_[Sr24Bi32Pd64]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Bi 2.0200 1.6000 1.0350
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [13.9287]
_cell_length_b [13.9287]
_cell_length_c [13.92... |
oqmd-9170972 | N2NdU | data_[Nd3U3N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
U 1.3800 1.7500 0.9913
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.5056]
_cell_length_b [3.5056]
_cell_length_c [17.3743]
_cell_... |
agm001406405 | FeHfNpTc | data_[Hf4Np4Fe4Tc4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Np 1.3600 1.7500 1.0000
Fe 1.8300 1.4000 0.8525
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.5323]
_cell_length_b [6.... |
agm002011516 | HgTh2V | data_[Th6V3Hg3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
V 1.6300 1.3500 0.7775
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.3242]
_cell_length_b [3.3242]
_cell_length_c [33.4106]
_cel... |
agm001955824 | PrSc2Zn | data_[Pr3Sc6Zn3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Sc 1.3600 1.6000 0.8850
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.3030]
_cell_length_b [3.3030]
_cell_length_c [32.3317]
_c... |
agm004616378 | Ho2Nd3SmTe6 | data_[Nd6Sm2Ho4Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Sm 1.1700 1.8500 1.2290
Ho 1.2300 1.7500 1.0410
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.4067]
_cell_length_b [4... |
agm003643195 | Cu5Er4Pm | data_[Pm1Er4Cu5]
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
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.4366]
_cell_length_b [3.4366]
_cell_length_c [17.5192]
... |
agm002840941 | InLaW2 | data_[La4In4W8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
In 1.7800 1.5500 0.9400
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [8.1272]
_cell_length_b [8.1272]
_cell_length_c [5.7003]
_cel... |
oqmd-3224922 | CdGaMnMo | data_[Mn4Cd4Ga4Mo4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Cd 1.6900 1.5500 1.0900
Ga 1.8100 1.3000 0.7600
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.3758]
_cell_length_b [6.... |
oqmd-5621991 | Mo2NdO8Rb | data_[Rb1Nd1Mo2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Nd 1.1400 1.8500 1.2765
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.0254]
_cell_length_b [6.02... |
agm005169094 | ErInPt5Si2 | data_[Er1In1Si2Pt5]
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
Si 1.9000 1.1000 0.5400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9770]
_cell_length_b [3... |
agm005773995 | Li14NaPb | data_[Na1Li14Pb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Li 0.9800 1.4500 0.9000
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.1438]
_cell_length_b [6.1438]
_cell_length_c [8.6230]
... |
agm001172142 | CaLuTm4 | data_[Ca4Tm16Lu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Tm 1.2500 1.7500 1.0950
Lu 1.2700 1.7500 1.0010
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [9.2473]
_cell_length_b [9.2473]
_cell_length_c [9.2473]
_... |
agm004873651 | CdO8SiTe2 | data_[Cd2Si2Te4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Si 1.9000 1.1000 0.5400
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 [11.1417]
_cell_length_b [5.2... |
agm004903834 | Mn2O8PdU | data_[U1Mn2Pd1O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Mn 1.5500 1.4000 0.6483
Pd 2.2000 1.4000 0.8462
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.8746]
_cell_length_b [6.1210]... |
agm002491391 | HNa3Re | data_[Na3Re1H1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Re 1.9000 1.3500 0.7125
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.6757]
_cell_length_b [4.6757]
_cell_length_c [4.6757]
_cel... |
agm003896112 | Au2BrPb | data_[Pb2Au4Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pb 2.3300 1.8000 1.1225
Au 2.5400 1.3500 1.0700
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.7266]
_cell_length_b [3.6789]
_cell_length_c [14.6047]
_c... |
agm005852039 | Sb3Sc2U | data_[Sc8U4Sb12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
U 1.3800 1.7500 0.9913
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.0181]
_cell_length_b [17.9895]
_cell_length_c [6.0113]
_ce... |
agm001446859 | NbOPdW2 | data_[Nb1Pd1W2O1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Pd 2.2000 1.4000 0.8462
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.3637]
_cell_length_b [5.363... |
oqmd-3899553 | AuCs2Se2 | data_[Cs4Au2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Au 2.5400 1.3500 1.0700
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8298]
_cell_length_b [4.0446]
_cell_length_c [7.2812]
_c... |
agm006029913 | AgBr3Hg6 | data_[Ag3Hg18Br9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Hg 2.0000 1.5000 1.2450
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [16.3253]
_cell_length_b [16.3253]
_cell_length_c [4.5559]
_... |
oqmd-9055590 | BrF6I2Sb | data_[Sb8I16Br8F48]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
I 2.6600 1.4000 1.2733
Br 2.9600 1.1500 0.8825
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [10.6216]
_cell_length_b [11.3... |
agm005765415 | Hg4KPb | data_[K1Hg4Pb1]
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
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.4102]
_cell_length_b [5.4179]
_cell_length_c [9.2920]
_cell... |
agm004503924 | GeIn2La3Nd3 | data_[La3Nd3In2Ge1]
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
In 1.7800 1.5500 0.9400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.8597]
_cell_length_b [8.... |
agm005110033 | AgSnTe2 | data_[Ag3Sn3Te6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Sn 1.9600 1.4500 0.8300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.1944]
_cell_length_b [4.1944]
_cell_length_c [22.4206]
_ce... |
agm002005214 | Ac2CsZn | data_[Cs3Ac6Zn3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ac 1.1000 1.9500 1.2600
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.1287]
_cell_length_b [4.1287]
_cell_length_c [38.2467]
_c... |
agm001333236 | AgCaMgSn | data_[Ca4Mg4Ag4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Mg 1.3100 1.5000 0.8600
Ag 1.9300 1.6000 1.0867
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.2166]
_cell_length_b [7.... |
agm005718269 | Ca2PrZn3 | data_[Ca2Pr1Zn3]
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
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.2110]
_cell_length_b [5.2110]
_cell_length_c [6.4122]
_c... |
agm002868614 | GeIr2Ni | data_[Ni4Ge4Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [3.8047]
_cell_length_b [3.8047]
_cell_length_c [17.0175]
_... |
agm003953817 | HgSb2Se | data_[Hg1Sb2Se1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
Sb 2.0500 1.4500 0.8300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.2997]
_cell_length_b [4.0662]
_cell_length_c [5.4849]
_ce... |
agm003843532 | AuW | data_[W4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
W 2.3600 1.3500 0.7667
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Cmme]
_cell_length_a [3.2624]
_cell_length_b [4.4928]
_cell_length_c [9.3042]
_cell_angle_alpha [90.0000]
_cell_ang... |
agm006005482 | Nd5PdTl2 | data_[Nd10Tl4Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Tl 1.6200 1.9000 1.3325
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [7.5963]
_cell_length_b [12.8808]
_cell_length_c [4.9771]
_... |
agm001512642 | Bi2CdMgMo | data_[Mg1Cd1Bi2Mo1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Cd 1.6900 1.5500 1.0900
Bi 2.0200 1.6000 1.0350
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.4020]
_cell_length_b [5... |
agm001352915 | AgGdLuMg | data_[Gd4Lu4Mg4Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Lu 1.2700 1.7500 1.0010
Mg 1.3100 1.5000 0.8600
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.3886]
_cell_length_b [7.... |
agm003301233 | Ag15Cd2Ce2 | data_[Ce6Cd6Ag45]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
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 [9.7155]
_cell_length_b [9.7155]
_cell_length_c [14.3683]
_... |
agm001334348 | RbSnSrTl | data_[Rb4Sr4Tl4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Sr 0.9500 2.0000 1.3200
Tl 1.6200 1.9000 1.3325
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.4050]
_cell_length_b [8.... |
agm004100327 | Au2FeRe | data_[Fe2Re2Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Re 1.9000 1.3500 0.7125
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [2.8366]
_cell_length_b [4.6867]
_cell_length_c [9.5491]
_ce... |
mp-1176519 | LiO2V | data_[Li2V2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [2.9794]
_cell_length_b [2.9794]
_cell_length_c [10.0441]
_cel... |
agm003839846 | Be2BrZn | data_[Be4Zn2Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Zn 1.6500 1.3500 0.8800
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [3.1707]
_cell_length_b [5.8130]
_cell_length_c [8.0216]
_ce... |
agm004780609 | GaI4K2Rb | data_[K2Rb1Ga1I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Rb 0.8200 2.3500 1.6600
Ga 1.8100 1.3000 0.7600
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.7271]
_cell_length_b [5.0441]... |
agm005787282 | PaPtRh3 | data_[Pa4Pt4Rh12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Pt 2.2800 1.3500 0.8050
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [4.8892]
_cell_length_b [5.5244]
_cell_length_c [13.2427]... |
oqmd-9155405 | AgCuHoTe3 | data_[Ho4Cu4Ag4Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Cu 1.9000 1.3500 0.8200
Ag 1.9300 1.6000 1.0867
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1590]
_cell_length_b [15... |
agm004272690 | AgHg2Re | data_[Re1Ag1Hg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
Ag 1.9300 1.6000 1.0867
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.8519]
_cell_length_b [4.4870]
_cell_length_c [5.8904]
_ce... |
agm002551424 | IIn3Nb | data_[Nb1In3I1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
In 1.7800 1.5500 0.9400
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.6311]
_cell_length_b [5.6311]
_cell_length_c [5.6311]
_cel... |
agm004981082 | MnN6P2Pa | data_[Pa4Mn4P8N24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Mn 1.5500 1.4000 0.6483
P 2.1900 1.0000 0.5500
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.8104]
_cell_length_b [8.6894... |
agm004197880 | CaCrFe2 | data_[Ca2Cr2Fe4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Cr 1.6600 1.4000 0.9400
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.1312]
_cell_length_b [4.6551]
_cell_length_c [8.6462]
_ce... |
oqmd-3763113 | BePuU | data_[Pu4U4Be4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
U 1.3800 1.7500 0.9913
Be 1.5700 1.0500 0.5900
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.9034]
_cell_length_b [5.9034]
_cell_length_c [5.9034]
_cel... |
agm005174872 | Ce2Sb5TbTm | data_[Tb1Ce2Tm1Sb5]
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
Tm 1.2500 1.7500 1.0950
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.3273]
_cell_length_b [5... |
agm001190452 | H3Pu | data_[Pu1H3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.2673]
_cell_length_b [3.2673]
_cell_length_c [3.2673]
_cell_angle_alpha [90.0000]
_cell_an... |
agm003840158 | BeHgTe2 | data_[Be3Hg3Te6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Hg 2.0000 1.5000 1.2450
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.9105]
_cell_length_b [3.9105]
_cell_length_c [21.7717]
_c... |
oqmd-2352118 | AuGeTc2 | data_[Tc8Ge4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
Ge 2.0100 1.2500 0.7700
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.3161]
_cell_length_b [6.3161]
_cell_length_c [6.3161]
_c... |
mp-1247866 | Ag2B8O13 | data_[Ag8B32O52]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [10.7351]
_cell_length_b [8.4814]
_cell_length_c [11.5894]
_ce... |
agm001980166 | ClSm2Y | data_[Sm6Y3Cl3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Y 1.2200 1.8000 1.0400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.6551]
_cell_length_b [3.6551]
_cell_length_c [30.5993]
_cel... |
oqmd-9128369 | NiSe2 | data_[Ni6Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.4009]
_cell_length_b [3.6316]
_cell_length_c [4.8930]
_cell_angle_alpha [90.0000]
_cell... |
agm001338182 | HgInLuSn | data_[Lu4In4Sn4Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
In 1.7800 1.5500 0.9400
Sn 1.9600 1.4500 0.8300
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.4552]
_cell_length_b [7.... |
agm001797531 | AgNSe2Y | data_[Y1Ag1Se2N1]
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
Se 2.5500 1.1500 1.0133
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.1824]
_cell_length_b [5.182... |
oqmd-6146289 | Ni2PtYb | data_[Yb9Ni18Pt9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Ni 1.9100 1.3500 0.7400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.0361]
_cell_length_b [5.0361]
_cell_length_c [25.2679]
_... |
agm001670843 | GeHSbSn2 | data_[Sn2Ge1Sb1H1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Ge 2.0100 1.2500 0.7700
Sb 2.0500 1.4500 0.8300
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.7271]
_cell_length_b [5.7... |
agm2000116315 | Cl3Na7 | data_[Na7Cl3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P6mm]
_cell_length_a [9.4019]
_cell_length_b [9.4019]
_cell_length_c [18.5795]
_cell_angle_alpha [90.0000]
_cell_... |
oqmd-9909011 | DyGe3Ho2Ir2Ni | data_[Dy2Ho4Ni2Ge6Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ho 1.2300 1.7500 1.0410
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Amm2]
_cell_lengt... |
agm004095316 | Cr2RhSb | data_[Cr8Sb4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Sb 2.0500 1.4500 0.8300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.2222]
_cell_length_b [6.2222]
_cell_length_c [6.2222]
_c... |
agm003520075 | Bi8HgPa2 | data_[Pa2Hg1Bi8]
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
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6827]
_cell_length_b [4.6827]
_cell_length_c [15.8809]
... |
agm001407322 | BiEuPbTm | data_[Eu4Tm4Bi4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Tm 1.2500 1.7500 1.0950
Bi 2.0200 1.6000 1.0350
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.8647]
_cell_length_b [7.... |
agm002731838 | BiSY2 | data_[Y8Bi4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Bi 2.0200 1.6000 1.0350
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4075]
_cell_length_b [7.4075]
_cell_length_c [7.4075]
_cell_... |
agm004823660 | Nd2ScSe4Tm | data_[Nd2Tm1Sc1Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Tm 1.2500 1.7500 1.0950
Sc 1.3600 1.6000 0.8850
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.9807]
_cell_length_b [4.0... |
agm003944771 | PPtSb | data_[Sb1P1Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
P 2.1900 1.0000 0.5500
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.7003]
_cell_length_b [3.7003]
_cell_length_c [4.9986]
_cell... |
agm002038234 | BeInNa | data_[Na4Be4In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Be 1.5700 1.0500 0.5900
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.1559]
_cell_length_b [4.3539]
_cell_length_c [14.7051]
_c... |
agm003492325 | Ge2Li6Pb | data_[Li12Ge4Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ge 2.0100 1.2500 0.7700
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [8.1058]
_cell_length_b [8.3348]
_cell_length_c [4.5798]
_c... |
agm005907030 | CsNa3Rb3 | data_[Cs2Rb6Na6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Rb 0.8200 2.3500 1.6600
Na 0.9300 1.8000 1.1600
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [12.4207]
_cell_length_b [12.4207]
_cell_length_c [7.1354]... |
agm003544346 | CePu3Ru3 | data_[Ce6Pu18Ru18]
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
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.3991]
_cell_length_b [6.3991]
_cell_length_c [21.9012]
_... |
agm001181257 | ErNdPt4 | data_[Nd4Er4Pt16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Er 1.2400 1.7500 1.0300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.7328]
_cell_length_b [7.7328]
_cell_length_c [7.7328]
_... |
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