Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm003531364 | Sb2Sm8Zn | data_[Sm16Zn2Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Zn 1.6500 1.3500 0.8800
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.3755]
_cell_length_b [5.0353]
_cell_length_c [6.9946]
_... |
agm004917433 | AcC3N6Sm | data_[Ac3Sm3C9N18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Sm 1.1700 1.8500 1.2290
C 2.5500 0.7000 0.3000
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.9148]
_cell_length_b [6.9148]
... |
agm003549903 | GaGe4Nd3 | data_[Nd6Ga2Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ga 1.8100 1.3000 0.7600
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4776]
_cell_length_b [6.0408]
_cell_length_c [15.1476]
_c... |
oqmd-9773198 | AuLi4PtTl2 | data_[Li4Tl2Pt1Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Tl 1.6200 1.9000 1.3325
Pt 2.2800 1.3500 0.8050
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.6076]
_cell_length_b [4.... |
agm004063622 | AuCl2P | data_[P2Au2Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
P 2.1900 1.0000 0.5500
Au 2.5400 1.3500 1.0700
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.1064]
_cell_length_b [5.5619]
_cell_length_c [10.5218]
_cel... |
agm001372957 | DyLuThZn | data_[Dy4Lu4Th4Zn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Lu 1.2700 1.7500 1.0010
Th 1.3000 1.8000 1.0800
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.5473]
_cell_length_b [7.... |
agm004939243 | Ba2InNpS6 | data_[Ba4Np2In2S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Np 1.3600 1.7500 1.0000
In 1.7800 1.5500 0.9400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.1343]
_cell_length_b [7.... |
agm006129785 | AuNb5Pd4 | data_[Nb5Pd4Au1]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.8289]
_cell_length_b [2.8289]
_cell_length_c [20.8866]
... |
agm003375999 | Cd3Sm3Zn8 | data_[Sm6Zn16Cd6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Zn 1.6500 1.3500 0.8800
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.5211]
_cell_length_b [9.1412]
_cell_length_c [13.6127]
_... |
oqmd-8897677 | AuCuN2V4 | data_[V4Cu1Au1N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Cu 1.9000 1.3500 0.8200
Au 2.5400 1.3500 1.0700
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [2.9117]
_cell_length_b [2.9117... |
agm002834767 | CrHSe2 | data_[Cr4H4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
H 2.2000 0.2500 0.0000
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.4132]
_cell_length_b [5.4132]
_cell_length_c [9.9566]
_cel... |
agm002271246 | Ca2F8Sn | data_[Ca4Sn2F16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Sn 1.9600 1.4500 0.8300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.0196]
_cell_length_b [3.7643]
_cell_length_c [5.1133]
_ce... |
agm002352459 | BaDyRu2 | data_[Ba4Dy4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Dy 1.2200 1.7500 1.1310
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0788]
_cell_length_b [7.0788]
_cell_length_c [7.0788]
_c... |
agm004515912 | Ac2CdPt3Sn4 | data_[Ac2Cd1Sn4Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Cd 1.6900 1.5500 1.0900
Sn 1.9600 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.6849]
_cell_length_b [4.... |
agm001158572 | CaGd2Lu | data_[Ca1Gd2Lu1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Gd 1.2000 1.8000 1.0750
Lu 1.2700 1.7500 1.0010
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6386]
_cell_length_b [3.6386]
_cell_length_c [10.1761]
... |
agm004659544 | Er3Pr6Tb2Tm | data_[Tb4Pr12Er6Tm2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Pr 1.1300 1.8500 1.0600
Er 1.2400 1.7500 1.0300
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2912]
_cell_length_b [10... |
agm001167265 | Ga3Nd5Sm12 | data_[Nd40Sm96Ga24]
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
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [17.6140]
_cell_length_b [17.6140]
_cell_length_c [17.61... |
oqmd-4265902 | ErLuRb | data_[Rb4Er4Lu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Er 1.2400 1.7500 1.0300
Lu 1.2700 1.7500 1.0010
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.3015]
_cell_length_b [8.3015]
_cell_length_c [8.3015]
_c... |
agm005637531 | BeGa3Tm2 | data_[Tm16Be8Ga24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Be 1.5700 1.0500 0.5900
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [7.2873]
_cell_length_b [8.4361]
_cell_length_c [14.5830]
... |
agm001615566 | HIrLiPd2 | data_[Li1H1Ir1Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
H 2.2000 0.2500 0.0000
Ir 2.2000 1.3500 0.7650
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0538]
_cell_length_b [4.0... |
agm002011106 | CoPaPm2 | data_[Pm6Pa3Co3]
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
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.3800]
_cell_length_b [3.3800]
_cell_length_c [31.3406]
_c... |
agm002871304 | OTl2V | data_[Tl8V4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [7.5941]
_cell_length_b [7.5941]
_cell_length_c [5.7983]
_cell_... |
agm001739240 | N2PdRbTe | data_[Rb1Te1Pd1N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Te 2.1000 1.4000 1.2933
Pd 2.2000 1.4000 0.8462
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1686]
_cell_length_b [4.1... |
agm002526134 | BiHfMn3 | data_[Hf1Mn3Bi1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Mn 1.5500 1.4000 0.6483
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.9168]
_cell_length_b [4.9168]
_cell_length_c [4.9168]
_c... |
agm003030510 | Ba2TaZr2 | data_[Ba4Zr4Ta2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Zr 1.3300 1.5500 0.8600
Ta 1.5000 1.4500 0.8200
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.2565]
_cell_length_b [7.2565]
_cell_length_c [6.2453]
_... |
agm005553730 | Cd2Sn3Sr2 | data_[Sr8Cd8Sn12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cd 1.6900 1.5500 1.0900
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.0707]
_cell_length_b [21.5420]
_cell_length_c [7.7579]
_... |
agm004854895 | CoIr2OsRu4 | data_[Co1Ir2Os1Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Ir 2.2000 1.3500 0.7650
Os 2.2000 1.3000 0.6730
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.0227]
_cell_length_b [3.5... |
agm005578122 | Hg3Sc3Zr2 | data_[Zr4Sc6Hg6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Sc 1.3600 1.6000 0.8850
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.5918]
_cell_length_b [4.8408]
_cell_length_c [20.3977]
_c... |
agm002372372 | Er3Fe3Ge2Re | data_[Er3Fe3Re1Ge2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Fe 1.8300 1.4000 0.8525
Re 1.9000 1.3500 0.7125
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.7356]
_cell_length_b [6.... |
agm002918010 | Ba2CoCr2 | data_[Ba4Cr4Co2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Cr 1.6600 1.4000 0.9400
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.3337]
_cell_length_b [3.3337]
_cell_length_c [20.8588]
... |
agm002928143 | KTe2Zn2 | data_[K2Zn4Te4]
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
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.1907]
_cell_length_b [5.1907]
_cell_length_c [10.4466]
_c... |
agm002730514 | GeRe2S | data_[Re8Ge4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
Ge 2.0100 1.2500 0.7700
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0775]
_cell_length_b [6.0775]
_cell_length_c [6.0775]
_cel... |
agm004555950 | Dy2LaPm2Tm2 | data_[La2Pm4Dy4Tm4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pm 1.1300 1.8500 1.1100
Dy 1.2200 1.7500 1.1310
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.5204]
_cell_length_b [5.9... |
agm004467928 | BFe | data_[Fe6B6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [2.5910]
_cell_length_b [8.8216]
_cell_length_c [4.4967]
_cell_angle_alpha [90.0000]
_cell_ang... |
agm001158231 | CaHo2Zr | data_[Ca1Ho2Zr1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ho 1.2300 1.7500 1.0410
Zr 1.3300 1.5500 0.8600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.4900]
_cell_length_b [3.4900]
_cell_length_c [10.1503]
... |
agm001553770 | HgMn2STa | data_[Ta1Mn2Hg1S1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Mn 1.5500 1.4000 0.6483
Hg 2.0000 1.5000 1.2450
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.7504]
_cell_length_b [4.7... |
agm003590622 | CaLi4Zn12 | data_[Li8Ca2Zn24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ca 1.0000 1.8000 1.1400
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [8.7134]
_cell_length_b [8.7134]
_cell_length_c [8.7134]
_c... |
agm001222378 | DyPu2Sb | data_[Dy1Pu2Sb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Pu 1.2800 1.7500 0.9675
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5505]
_cell_length_b [4.5505]
_cell_length_c [5.0588]
_... |
oqmd-6680704 | Cl3GaGd2Pr | data_[Pr1Gd2Ga1Cl3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Gd 1.2000 1.8000 1.0750
Ga 1.8100 1.3000 0.7600
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.7321]
_cell_length_b [5... |
agm001843877 | CaGdLu | data_[Ca2Gd2Lu2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Gd 1.2000 1.8000 1.0750
Lu 1.2700 1.7500 1.0010
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.6553]
_cell_length_b [3.6553]
_cell_length_c [15.3259]
_c... |
oqmd-6494609 | NOPaPt | data_[Pa2Pt2N2O2]
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
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [4.7348]
_cell_length_b [3.8451]... |
agm003131739 | CdOY3 | data_[Y24Cd8O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Cd 1.6900 1.5500 1.0900
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.4759]
_cell_length_b [11.1782]
_cell_length_c [6.5610]
_cel... |
mp-2223049 | MgMoS2Se4W2 | data_[Mg1Mo1W2Se4S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Mo 2.1600 1.4500 0.7750
W 2.3600 1.3500 0.7667
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3... |
agm005480915 | Au5Mn | data_[Mn4Au20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.7266]
_cell_length_b [7.7266]
_cell_length_c [7.7266]
_cell_angle_alpha [90.0000]
_cell... |
agm004714050 | Ac3AlK4O8 | data_[K8Ac6Al2O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ac 1.1000 1.9500 1.2600
Al 1.6100 1.2500 0.6750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3894]
_cell_length_b [7.194... |
agm005855873 | MoN4Np2 | data_[Np6Mo3N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Mo 2.1600 1.4500 0.7750
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.5114]
_cell_length_b [3.5114]
_cell_length_c [23.6800]
_ce... |
agm005742079 | Br5SrTl | data_[Sr4Tl4Br20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Tl 1.6200 1.9000 1.3325
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.4849]
_cell_length_b [10.8996]
_cell_length_c [11.2279]... |
agm005491481 | Al2NiZr5 | data_[Zr10Al4Ni2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Al 1.6100 1.2500 0.6750
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.0379]
_cell_length_b [9.8725]
_cell_length_c [10.8283]
_... |
oqmd-5602536 | Hf3NSn | data_[Hf12Sn4N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Sn 1.9600 1.4500 0.8300
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.3479]
_cell_length_b [11.9496]
_cell_length_c [8.8849]
_ce... |
agm001141321 | AuLaTb2 | data_[La1Tb2Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Tb 1.1000 1.7500 0.9815
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6607]
_cell_length_b [3.6607]
_cell_length_c [8.6596]
_... |
agm003546441 | CdPd3Sr3 | data_[Sr6Cd2Pd6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cd 1.6900 1.5500 1.0900
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [9.2332]
_cell_length_b [9.2332]
_cell_length_c [6.0860]
_... |
agm001283761 | HgPu3 | data_[Pu6Hg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2383]
_cell_length_b [4.9797]
_cell_length_c [9.8330]
_cell_angle_alpha [90.0000]
_cell_a... |
agm001005829 | MoOSi | data_[Si4Mo4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [14.2380]
_cell_length_b [2.7159]
_cell_length_c [4.7239]
_cel... |
agm002646744 | Be2HgSi | data_[Be8Si4Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Si 1.9000 1.1000 0.5400
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0887]
_cell_length_b [6.0887]
_cell_length_c [6.0887]
_c... |
agm006119490 | Cu6HgPd12 | data_[Cu18Hg3Pd36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Hg 2.0000 1.5000 1.2450
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.0045]
_cell_length_b [12.0045]
_cell_length_c [6.7351]
... |
agm005531477 | Ac5Tl2 | data_[Ac20Tl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.1552]
_cell_length_b [42.3208]
_cell_length_c [5.1855]
_cell_angle_alpha [90.0000]
_cell... |
agm003902790 | CrCuSr2 | data_[Sr8Cr4Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cr 1.6600 1.4000 0.9400
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.5747]
_cell_length_b [7.5747]
_cell_length_c [7.5747]
_c... |
agm003365730 | Cu5Na2P4 | data_[Na8Cu20P16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Cu 1.9000 1.3500 0.8200
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.3682]
_cell_length_b [11.4382]
_cell_length_c [12.4557]
_... |
agm001515784 | BeIrLa2Sr | data_[Sr1La2Be1Ir1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
La 1.1000 1.9500 1.1720
Be 1.5700 1.0500 0.5900
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.2303]
_cell_length_b [5... |
agm006131099 | Ac5GeP4 | data_[Ac10Ge2P8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Ge 2.0100 1.2500 0.7700
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [10.0260]
_cell_length_b [10.0260]
_cell_length_c [6.3024]
_c... |
agm001290131 | EuGeHgIn | data_[Eu4In4Hg4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
In 1.7800 1.5500 0.9400
Hg 2.0000 1.5000 1.2450
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.4089]
_cell_length_b [7.... |
agm005156477 | Rb2SbSe5Zr | data_[Rb8Zr4Sb4Se20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Zr 1.3300 1.5500 0.8600
Sb 2.0500 1.4500 0.8300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3387]
_cell_length_b [... |
agm002397293 | AlInRu3 | data_[Al1In1Ru3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
In 1.7800 1.5500 0.9400
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.8260]
_cell_length_b [4.8260]
_cell_length_c [4.8260]
_c... |
agm004640702 | Bi2PuRb3S6 | data_[Rb6Pu2Bi4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Pu 1.2800 1.7500 0.9675
Bi 2.0200 1.6000 1.0350
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2737]
_cell_length_b [12.6... |
agm004859675 | BaCaLa2Se4 | data_[Ba1Ca1La2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ca 1.0000 1.8000 1.1400
La 1.1000 1.9500 1.1720
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.5954]
_cell_length_b [4.3... |
agm004326599 | InMnW2 | data_[Mn2In2W4]
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
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [3.2637]
_cell_length_b [4.5688]
_cell_length_c [8.8288]
_cell... |
oqmd-9805459 | NO3Tl | data_[Tl9N9O27]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P3_1]
_cell_length_a [10.1336]
_cell_length_b [10.1336]
_cell_length_c [7.1962]
_cel... |
agm004993639 | AuCsO2Sr | data_[Cs4Sr4Au4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Sr 0.9500 2.0000 1.3200
Au 2.5400 1.3500 1.0700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmme]
_cell_length_a [7.3328]
_cell_length_b [13.64... |
oqmd-8545510 | C2NiV3 | data_[V6Ni2C4]
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
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [2.9151]
_cell_length_b [2.9151]
_cell_length_c [16.9283]
_c... |
agm003722101 | CdSr3Tl | data_[Sr6Tl2Cd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Tl 1.6200 1.9000 1.3325
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [9.3723]
_cell_length_b [4.2525]
_cell_length_c [10.9582]
_cel... |
agm003774329 | CdPt6Sb | data_[Cd1Sb1Pt6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Sb 2.0500 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0529]
_cell_length_b [4.0529]
_cell_length_c [8.1253]
_... |
agm001971365 | Ce2LuOs | data_[Ce6Lu3Os3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Lu 1.2700 1.7500 1.0010
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.7125]
_cell_length_b [3.7125]
_cell_length_c [30.1174]
_c... |
agm002749320 | LaSn2V | data_[La4V4Sn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
V 1.6300 1.3500 0.7775
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3646]
_cell_length_b [7.3646]
_cell_length_c [7.3646]
_cel... |
agm005182599 | AgAuLiY | data_[Li3Y3Ag3Au3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Y 1.2200 1.8000 1.0400
Ag 1.9300 1.6000 1.0867
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.6297]
_cell_length_b [4.6297... |
agm002334703 | CuNp2 | data_[Np4Cu2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.3851]
_cell_length_b [4.2267]
_cell_length_c [5.4584]
_cell_angle_alpha [90.0000]
_cell_a... |
agm006117109 | Ga6I12Np | data_[Np3Ga18I36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Ga 1.8100 1.3000 0.7600
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.3844]
_cell_length_b [11.3844]
_cell_length_c [22.0978]
_... |
agm001321291 | AcPbRhY | data_[Ac4Y4Rh4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Y 1.2200 1.8000 1.0400
Rh 2.2800 1.3500 0.7450
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.6346]
_cell_length_b [7.63... |
agm003537983 | Au9LaSn2 | data_[La3Sn6Au27]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sn 1.9600 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.6763]
_cell_length_b [5.6763]
_cell_length_c [27.7001]
_... |
agm005898334 | AlLi2Zn4 | data_[Li2Al1Zn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Al 1.6100 1.2500 0.6750
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.8567]
_cell_length_b [5.0239]
_cell_length_c [5.2029]
_cel... |
agm004638494 | K3Sb2Se6Th | data_[K6Th2Sb4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Th 1.3000 1.8000 1.0800
Sb 2.0500 1.4500 0.8300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4826]
_cell_length_b [13.4... |
agm001997940 | Ce2MnSi | data_[Ce6Mn3Si3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Mn 1.5500 1.4000 0.6483
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.0284]
_cell_length_b [3.0284]
_cell_length_c [28.9876]
_c... |
agm006123665 | Pm12ScY6 | data_[Pm36Y18Sc3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Y 1.2200 1.8000 1.0400
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [13.1415]
_cell_length_b [13.1415]
_cell_length_c [13.0431]
... |
agm004027595 | BeCl2Pt | data_[Be2Pt2Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Pt 2.2800 1.3500 0.8050
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.8742]
_cell_length_b [4.8742]
_cell_length_c [6.0731]
_... |
agm005724488 | ErNiTb2 | data_[Tb8Er4Ni4]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.8367]
_cell_length_b [9.6055]
_cell_length_c [6.2972]
_ce... |
agm005113207 | Er2HP | data_[Er6P3H3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
P 2.1900 1.0000 0.5500
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.7848]
_cell_length_b [3.7848]
_cell_length_c [20.3137]
_cell_a... |
agm001817594 | Ge3Hg12Se5 | data_[Hg96Ge24Se40]
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
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [16.5282]
_cell_length_b [16.5282]
_cell_length_c [16.52... |
oqmd-2544696 | CoMgPbZr | data_[Mg4Zr4Co4Pb4]
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
Co 1.8800 1.3500 0.7683
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.6914]
_cell_length_b [6.... |
agm001151233 | Gd2MgRh | data_[Gd2Mg1Rh1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Mg 1.3100 1.5000 0.8600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5601]
_cell_length_b [3.5601]
_cell_length_c [7.7547]
_... |
agm2000129565 | K5Li | data_[K5Li1]
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
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [7.6317]
_cell_length_b [7.6317]
_cell_length_c [18.7037]
_cell_angle_alpha [90.0000]
_cell_an... |
agm003627839 | B2CoU | data_[U4Co4B8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Co 1.8800 1.3500 0.7683
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6058]
_cell_length_b [9.9129]
_cell_length_c [5.1106]
_cell_a... |
agm004601180 | CaTb2Te6Y3 | data_[Ca2Tb4Y6Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Tb 1.1000 1.7500 0.9815
Y 1.2200 1.8000 1.0400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.1405]
_cell_length_b [4.3... |
agm003880943 | Pb2TeZn | data_[Zn1Te1Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Te 2.1000 1.4000 1.2933
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.4763]
_cell_length_b [4.4763]
_cell_length_c [6.2864]
_... |
oqmd-6619992 | Bi3La2Pr | data_[La2Pr1Bi3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pr 1.1300 1.8500 1.0600
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.6564]
_cell_length_b [4.6564]
_cell_length_c [11.4574]
_... |
agm004311637 | AgBe2Ca | data_[Ca3Be6Ag3]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.0589]
_cell_length_b [4.0589]
_cell_length_c [15.5345]
_ce... |
agm003873434 | AlInIr2 | data_[Al2In2Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
In 1.7800 1.5500 0.9400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.7911]
_cell_length_b [2.9889]
_cell_length_c [4.5892]
_cell... |
agm004181414 | AsPt2Tc | data_[Tc3As3Pt6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
As 2.1800 1.1500 0.6600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [2.8849]
_cell_length_b [2.8849]
_cell_length_c [25.9263]
_ce... |
agm004641751 | Cs3Na2NpS6 | data_[Cs6Na4Np2S12]
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
Np 1.3600 1.7500 1.0000
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3647]
_cell_length_b [12.7... |
agm002606420 | Re3SnW | data_[Re3Sn1W1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
Sn 1.9600 1.4500 0.8300
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.7080]
_cell_length_b [4.7080]
_cell_length_c [4.7080]
_cel... |
agm002645846 | BeSrZr2 | data_[Sr4Zr8Be4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Zr 1.3300 1.5500 0.8600
Be 1.5700 1.0500 0.5900
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1070]
_cell_length_b [7.1070]
_cell_length_c [7.1070]
_c... |
agm005058752 | KO4OsSr | data_[K2Sr2Os2O8]
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
Os 2.2000 1.3000 0.6730
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.8780]
_cell_length_b [3.8780]... |
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