Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm003009715 | Cs2Rb2Te | data_[Cs4Rb4Te2]
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
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.6682]
_cell_length_b [9.6682]
_cell_length_c [7.6663]
_... |
agm005520919 | C5Mn3 | data_[Mn12C20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.5777]
_cell_length_b [9.9085]
_cell_length_c [5.1300]
_cell_angle_alpha [90.0000]
_cell_ang... |
agm005408109 | Sb2Si3 | data_[Si9Sb6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.8580]
_cell_length_b [3.8580]
_cell_length_c [24.9805]
_cell_angle_alpha [90.0000]
_cell_... |
agm002684380 | BrCsH2 | data_[Cs4H8Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
H 2.2000 0.2500 0.0000
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4481]
_cell_length_b [7.4481]
_cell_length_c [7.4481]
_cel... |
agm004510091 | Ge3LiNi4Np2 | data_[Li1Np2Ni4Ge3]
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
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [3.9487]
_cell_length_b [3.... |
agm001467360 | Cd2KTlW | data_[K1Tl1Cd2W1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Tl 1.6200 1.9000 1.3325
Cd 1.6900 1.5500 1.0900
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.4674]
_cell_length_b [5.467... |
agm002762937 | F2RuTa | data_[Ta3Ru3F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Ru 2.2000 1.3000 0.6610
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.7511]
_cell_length_b [2.7511]
_cell_length_c [30.3467]
_cel... |
agm004898334 | Br8Ge2TlV | data_[Tl1V1Ge2Br8]
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
Ge 2.0100 1.2500 0.7700
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.8020]
_cell_length_b [7.2190... |
agm001660708 | CMnTc2Ti | data_[Ti1Mn1Tc2C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Mn 1.5500 1.4000 0.6483
Tc 1.9000 1.3500 0.7417
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1303]
_cell_length_b [4.1... |
agm005842068 | AcLi2Pb4 | data_[Li4Ac2Pb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ac 1.1000 1.9500 1.2600
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [6.3567]
_cell_length_b [6.3567]
_cell_length_c [12.2369]
... |
agm004501656 | Er2GaLi3Ni12 | data_[Li9Er6Ga3Ni36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Er 1.2400 1.7500 1.0300
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.0986]
_cell_length_b [5.... |
oqmd-4136500 | FeLi | data_[Li2Fe2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [2.4433]
_cell_length_b [2.4433]
_cell_length_c [9.1603]
_cell_angle_alpha [90.0000]
_cell... |
oqmd-8969516 | Pd3Se12Ta4 | data_[Ta8Pd6Se24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Pd 2.2000 1.4000 0.8462
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.7913]
_cell_length_b [3.5219]
_cell_length_c [19.4961]
... |
agm002558419 | Hf3OW | data_[Hf3W1O1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.4249]
_cell_length_b [4.4249]
_cell_length_c [4.4249]
_cell_... |
agm006016403 | CdHo6Tb8 | data_[Tb8Ho6Cd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ho 1.2300 1.7500 1.0410
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [9.3544]
_cell_length_b [9.3544]
_cell_length_c [6.2580]
_cel... |
agm004721124 | HfPu3Rb4Se8 | data_[Rb12Pu9Hf3Se24]
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
Hf 1.3000 1.5500 0.8500
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.4776]
_cell_length_b [8... |
agm001283602 | CeZr3 | data_[Ce2Zr6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Zr 1.3300 1.5500 0.8600
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.1569]
_cell_length_b [10.6033]
_cell_length_c [5.7760]
_cell_angle_alpha [90.0000]
_cell_... |
agm004983174 | CeDy2Pm6Sm | data_[Ce2Pm12Sm2Dy4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Pm 1.1300 1.8500 1.1100
Sm 1.1700 1.8500 1.2290
Dy 1.2200 1.7500 1.1310
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3769]
_cell_length_b [6... |
oqmd-9207075 | As2MnMo | data_[Mn2Mo2As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Mo 2.1600 1.4500 0.7750
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [3.3866]
_cell_length_b [5.8638]
_cell_length_c [6.3990]
_... |
agm005625976 | Bi2Cs3Pd4 | data_[Cs6Bi4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Bi 2.0200 1.6000 1.0350
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.5711]
_cell_length_b [4.7813]
_cell_length_c [9.8570]
_c... |
agm004513328 | AlBe4Ge3La2 | data_[La2Be4Al1Ge3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Be 1.5700 1.0500 0.5900
Al 1.6100 1.2500 0.6750
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.1402]
_cell_length_b [4.... |
agm001358182 | NdNiPdPr | data_[Pr4Nd4Ni4Pd4]
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
Ni 1.9100 1.3500 0.7400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1700]
_cell_length_b [7.... |
agm001081367 | Br4CaNa2 | data_[Na4Ca2Br8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ca 1.0000 1.8000 1.1400
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.6788]
_cell_length_b [5.6788]
_cell_length_c [15.3692]
... |
agm004677821 | P2Pd9Pr3Sn | data_[Pr3Sn1P2Pd9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Sn 1.9600 1.4500 0.8300
P 2.1900 1.0000 0.5500
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.3043]
_cell_length_b [6.30... |
agm005759044 | GeMgPd5 | data_[Mg2Ge2Pd10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ge 2.0100 1.2500 0.7700
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.7127]
_cell_length_b [7.1410]
_cell_length_c [5.7335]
_c... |
agm001209112 | BiHgIn2 | data_[In2Hg1Bi1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
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 [5.6647]
_cell_length_b [5.6647]
_cell_length_c [3.5520]
_... |
agm004701196 | Ce3Dy3TbTe8 | data_[Tb3Ce9Dy9Te24]
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
Dy 1.2200 1.7500 1.1310
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.7823]
_cell_length_b [8.... |
agm001836459 | GaMnOs | data_[Mn2Ga2Os2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Ga 1.8100 1.3000 0.7600
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [2.7637]
_cell_length_b [2.7637]
_cell_length_c [10.3896]
_c... |
oqmd-5865708 | AcB4Bi | data_[Ac1Bi1B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Bi 2.0200 1.6000 1.0350
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [3.3346]
_cell_length_b [3.3346]
_cell_length_c [8.7807]
_ce... |
agm005814113 | BiCd16Pu2 | data_[Pu6Cd48Bi3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Cd 1.6900 1.5500 1.0900
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [10.3308]
_cell_length_b [10.3308]
_cell_length_c [14.7799]
... |
oqmd-2390898 | Mg3Zn | data_[Mg12Zn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.1274]
_cell_length_b [10.5744]
_cell_length_c [5.0176]
_cell_angle_alpha [90.0000]
_cell... |
agm001814097 | BiINa2 | data_[Na2Bi1I1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Bi 2.0200 1.6000 1.0350
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7675]
_cell_length_b [3.7675]
_cell_length_c [8.7757]
_ce... |
agm001771615 | BrIrNS2 | data_[Ir1S2Br1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ir 2.2000 1.3500 0.7650
S 2.5800 1.0000 0.8800
Br 2.9600 1.1500 0.8825
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.8787]
_cell_length_b [4.878... |
agm005132137 | La2Li2Pt5Zn | data_[Li4La4Zn2Pt10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
La 1.1000 1.9500 1.1720
Zn 1.6500 1.3500 0.8800
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.5198]
_cell_length_b [... |
agm001472140 | BeMnPbRh2 | data_[Mn1Be1Rh2Pb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Be 1.5700 1.0500 0.5900
Rh 2.2800 1.3500 0.7450
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5123]
_cell_length_b [4... |
agm003718105 | GaMg3Nd | data_[Nd2Mg6Ga2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Mg 1.3100 1.5000 0.8600
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.7268]
_cell_length_b [4.8135]
_cell_length_c [11.2590]
_c... |
agm001327314 | AcCdLiTm | data_[Li4Ac4Tm4Cd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ac 1.1000 1.9500 1.2600
Tm 1.2500 1.7500 1.0950
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.7736]
_cell_length_b [7.... |
agm001956297 | NSm2Zn | data_[Sm6Zn3N3]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.5356]
_cell_length_b [3.5356]
_cell_length_c [26.8409]
_cel... |
agm2000025337 | I3Sm | data_[Sm2I6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [8.8615]
_cell_length_b [19.8389]
_cell_length_c [7.8378]
_cell_angle_alpha [90.0000]
_cell_an... |
agm001393650 | CaEuLuTl | data_[Ca4Eu4Lu4Tl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Eu 1.2000 1.8500 1.1985
Lu 1.2700 1.7500 1.0010
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.9455]
_cell_length_b [7.... |
agm004464846 | LiPt | data_[Li6Pt6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pm-3n]
_cell_length_a [6.6884]
_cell_length_b [6.6884]
_cell_length_c [6.6884]
_cell_angle_alpha [90.0000]
_cell_... |
agm002894848 | Sr2TaZr | data_[Sr8Zr4Ta4]
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
Ta 1.5000 1.4500 0.8200
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [9.0444]
_cell_length_b [9.0444]
_cell_length_c [6.0628]
_c... |
agm005499159 | Ir3Mo5 | data_[Mo10Ir6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.8753]
_cell_length_b [7.9310]
_cell_length_c [3.9152]
_cell_angle_alpha [90.0000]
_cell_... |
agm005760268 | Cd5LiTb | data_[Li2Tb2Cd10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Tb 1.1000 1.7500 0.9815
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.0104]
_cell_length_b [8.8008]
_cell_length_c [6.5967]
_c... |
agm003721918 | BaS3Se | data_[Ba2Se2S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.8939]
_cell_length_b [6.7322]
_cell_length_c [7.8575]
_ce... |
agm005991082 | Hg4Na3Zn | data_[Na3Zn1Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Zn 1.6500 1.3500 0.8800
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6924]
_cell_length_b [3.6924]
_cell_length_c [14.3868]
... |
agm003738802 | InPr4Ru | data_[Pr16In4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
In 1.7800 1.5500 0.9400
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.0362]
_cell_length_b [13.3704]
_cell_length_c [6.4111]
_... |
agm003595948 | Er4Mg4Tb | data_[Tb2Er8Mg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Er 1.2400 1.7500 1.0300
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [P4_2/nmc]
_cell_length_a [6.8948]
_cell_length_b [6.8948]
_cell_length_c [11.3962... |
oqmd-8943916 | Fe5PSi2 | data_[Fe20Si8P4]
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
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [5.6664]
_cell_length_b [5.6664]
_cell_length_c [10.7182]
_... |
agm001080550 | Hg2In4Pd | data_[In8Hg4Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Hg 2.0000 1.5000 1.2450
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.1987]
_cell_length_b [5.1987]
_cell_length_c [15.3298]
... |
agm003863055 | RuTeTl2 | data_[Tl4Te2Ru2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Te 2.1000 1.4000 1.2933
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.5793]
_cell_length_b [3.4466]
_cell_length_c [9.4144]
_cell... |
agm002149995 | Fe3Tl | data_[Tl2Fe6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.3925]
_cell_length_b [4.0734]
_cell_length_c [5.7712]
_cell_angle_alpha [90.0000]
_cell... |
oqmd-3943406 | HfOPSr | data_[Sr2Hf2P2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Hf 1.3000 1.5500 0.8500
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.2475]
_cell_length_b [4.247... |
agm003686480 | AcBi12Pd6 | data_[Ac3Bi36Pd18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Bi 2.0200 1.6000 1.0350
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [13.7815]
_cell_length_b [13.7815]
_cell_length_c [9.4769]... |
agm003746857 | BNdRh4 | data_[Nd2B2Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
B 2.0400 0.8500 0.4100
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4_2/nmc]
_cell_length_a [5.0734]
_cell_length_b [5.0734]
_cell_length_c [8.3902]
_... |
agm005043360 | CeInPt3Zn | data_[Ce4Zn4In4Pt12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Zn 1.6500 1.3500 0.8800
In 1.7800 1.5500 0.9400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.7074]
_cell_length_b [17... |
agm2000035418 | Ag2Se3 | data_[Ag8Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [9.1490]
_cell_length_b [20.3130]
_cell_length_c [10.4459]
_cell_angle_alpha [90.0000]
_cel... |
agm005945498 | HoNi4Sc3 | data_[Ho3Sc9Ni12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Sc 1.3600 1.6000 0.8850
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.5360]
_cell_length_b [4.5360]
_cell_length_c [22.4957]
_... |
agm002725378 | PdTeW2 | data_[Te4Pd4W8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
Pd 2.2000 1.4000 0.8462
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4729]
_cell_length_b [6.4729]
_cell_length_c [6.4729]
_cel... |
oqmd-2605751 | LiNaO3 | data_[Na6Li6O18]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [5.7249]
_cell_length_b [5.7249]
_cell_length_c [12.3999]
_ce... |
agm006137135 | CdPb5Te6 | data_[Cd2Te12Pb10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Te 2.1000 1.4000 1.2933
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.9429]
_cell_length_b [13.7474]
_cell_length_c [7.9527]
... |
agm001381403 | InLiPbPr | data_[Li4Pr4In4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Pr 1.1300 1.8500 1.0600
In 1.7800 1.5500 0.9400
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.5535]
_cell_length_b [7.... |
agm003087570 | KTiTl | data_[K4Ti4Tl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ti 1.5400 1.4000 0.8517
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.9667]
_cell_length_b [13.1604]
_cell_length_c [6.0892]
_cel... |
agm003320203 | Mg2Nd7Y2 | data_[Nd14Y4Mg4]
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
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.0413]
_cell_length_b [11.9931]
_cell_length_c [6.7558]
_c... |
oqmd-7436543 | AuKRhSe2Te | data_[K4Te4Rh4Au4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Te 2.1000 1.4000 1.2933
Rh 2.2800 1.3500 0.7450
Au 2.5400 1.3500 1.0700
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_... |
agm002932269 | Cd2Mg2Y | data_[Y2Mg4Cd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Mg 1.3100 1.5000 0.8600
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.3208]
_cell_length_b [4.3208]
_cell_length_c [13.1212]
_c... |
agm002400900 | AsBrSr3 | data_[Sr3As1Br1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
As 2.1800 1.1500 0.6600
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [6.0487]
_cell_length_b [6.0487]
_cell_length_c [6.0487]
_c... |
agm002012045 | EuK2Pb | data_[K6Eu3Pb3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Eu 1.2000 1.8500 1.1985
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.8413]
_cell_length_b [3.8413]
_cell_length_c [43.5887]
_cel... |
agm005128702 | CeNdTm2 | data_[Ce3Nd3Tm6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Nd 1.1400 1.8500 1.2765
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.5383]
_cell_length_b [3.5383]
_cell_length_c [34.3363]
_ce... |
agm004254972 | MnTl | data_[Mn6Tl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.7058]
_cell_length_b [3.7058]
_cell_length_c [20.4438]
_cell_angle_alpha [90.0000]
_cell_... |
agm004895602 | Cl8Co2NaPb | data_[Na3Co6Pb3Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Co 1.8800 1.3500 0.7683
Pb 2.3300 1.8000 1.1225
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.5378]
_cell_length_b [6.5... |
agm004525684 | Ac2CuPd4Sn3 | data_[Ac2Cu1Sn3Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Cu 1.9000 1.3500 0.8200
Sn 1.9600 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.6781]
_cell_length_b [4.... |
agm004720361 | Ho8PS4Se3 | data_[Ho24P3Se9S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
P 2.1900 1.0000 0.5500
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.9276]
_cell_length_b [7.927... |
agm006096974 | AgMg5Sm6 | data_[Sm12Mg10Ag2]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.4058]
_cell_length_b [16.2299]
_cell_length_c [7.6361]
... |
agm002404792 | BCsF3 | data_[Cs1B1F3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
B 2.0400 0.8500 0.4100
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.1206]
_cell_length_b [4.1206]
_cell_length_c [4.1206]
_cell_... |
oqmd-5133829 | Ni2RhRu | data_[Ni8Ru4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Ru 2.2000 1.3000 0.6610
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.8766]
_cell_length_b [5.8766]
_cell_length_c [5.8766]
_c... |
agm001131295 | Ac2GaH | data_[Ac2Ga1H1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Ga 1.8100 1.3000 0.7600
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6890]
_cell_length_b [3.6890]
_cell_length_c [7.7257]
_ce... |
agm002754890 | AsHfTe2 | data_[Hf3Te6As3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Te 2.1000 1.4000 1.2933
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.7757]
_cell_length_b [3.7757]
_cell_length_c [28.2039]
_c... |
agm002528330 | HfMnPt3 | data_[Hf1Mn1Pt3]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.6092]
_cell_length_b [4.6092]
_cell_length_c [4.6092]
_c... |
oqmd-6637160 | AlAuGa2Li4 | data_[Li4Al1Ga2Au1]
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
Ga 1.8100 1.3000 0.7600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.3662]
_cell_length_b [4.... |
agm003663321 | Li6Pb4Tm | data_[Li6Tm1Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Tm 1.2500 1.7500 1.0950
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [9.5173]
_cell_length_b [9.5173]
_cell_length_c [3.2428]
_c... |
agm004867188 | HoSm2ThTm4 | data_[Sm2Ho1Tm4Th1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ho 1.2300 1.7500 1.0410
Tm 1.2500 1.7500 1.0950
Th 1.3000 1.8000 1.0800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0380]
_cell_length_b [5... |
agm003838863 | Br2HgTe | data_[Hg1Te1Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
Te 2.1000 1.4000 1.2933
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.7889]
_cell_length_b [3.9598]
_cell_length_c [8.5251]
_ce... |
agm001190138 | Pb4PmPr | data_[Pm4Pr4Pb16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Pr 1.1300 1.8500 1.0600
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [9.1551]
_cell_length_b [9.1551]
_cell_length_c [9.1551]
_... |
agm2000050242 | Ag9P5 | data_[Ag9P5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P6]
_cell_length_a [8.3015]
_cell_length_b [8.3015]
_cell_length_c [17.8384]
_cell_angle_alpha [90.0000]
_cell_angl... |
agm005707540 | CrPt2Rh3 | data_[Cr4Pt8Rh12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Pt 2.2800 1.3500 0.8050
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.8648]
_cell_length_b [11.5906]
_cell_length_c [7.6841]
_... |
agm002822318 | Cu2IIn | data_[In4Cu8I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [6.7364]
_cell_length_b [6.7364]
_cell_length_c [8.9976]
_cel... |
agm003385017 | Sc4Tb8Tm3 | data_[Tb16Tm6Sc8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Tm 1.2500 1.7500 1.0950
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0335]
_cell_length_b [11.8028]
_cell_length_c [6.5916]
... |
agm004388088 | InLiNi2 | data_[Li1In1Ni2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
In 1.7800 1.5500 0.9400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.8028]
_cell_length_b [3.5815]
_cell_length_c [5.5055]
_ce... |
oqmd-2897901 | CdNbOs | data_[Nb4Cd4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Cd 1.6900 1.5500 1.0900
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.2541]
_cell_length_b [6.2541]
_cell_length_c [6.2541]
_c... |
agm004276872 | Al2BaFe | data_[Ba2Al4Fe2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Al 1.6100 1.2500 0.6750
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.0792]
_cell_length_b [5.4906]
_cell_length_c [10.6109]
_c... |
oqmd-9759997 | B2DyErNi2O2 | data_[Dy1Er1Ni2B2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Er 1.2400 1.7500 1.0300
Ni 1.9100 1.3500 0.7400
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a ... |
agm003034854 | AlAuSn | data_[Al4Sn4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Sn 1.9600 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.3373]
_cell_length_b [3.1759]
_cell_length_c [12.5906]
_c... |
agm005495579 | BiCs2Sn | data_[Cs8Sn4Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Sn 1.9600 1.4500 0.8300
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [14.3002]
_cell_length_b [14.3002]
_cell_length_c [6.0127]
... |
agm004945503 | O6PbTlV2 | data_[Tl4V8Pb4O24]
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
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.5710]
_cell_length_b [10.75... |
agm003701389 | Ag7HgZn12 | data_[Zn24Ag14Hg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ag 1.9300 1.6000 1.0867
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [9.5724]
_cell_length_b [9.5724]
_cell_length_c [9.5724]
_... |
agm001784939 | CsNbSb2Te | data_[Cs1Nb1Sb2Te1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Nb 1.6000 1.4500 0.8200
Sb 2.0500 1.4500 0.8300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.9615]
_cell_length_b [5... |
agm003355041 | Dy3Er2Se8 | data_[Dy6Er4Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Er 1.2400 1.7500 1.0300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.2339]
_cell_length_b [8.1723]
_cell_length_c [6.9637]
_... |
agm001326210 | CdLuPmZn | data_[Pm4Lu4Zn4Cd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Lu 1.2700 1.7500 1.0010
Zn 1.6500 1.3500 0.8800
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.3535]
_cell_length_b [7.... |
agm005115541 | KTe2U | data_[K3U3Te6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
U 1.3800 1.7500 0.9913
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.4473]
_cell_length_b [4.4473]
_cell_length_c [25.5160]
_cell_a... |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.