Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm2000129718 | HgPt5 | data_[Hg1Pt5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [4.6474]
_cell_length_b [4.6474]
_cell_length_c [18.2912]
_cell_angle_alpha [90.0000]
_cell_... |
agm003698263 | Er8MgSc6 | data_[Er24Mg3Sc18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Mg 1.3100 1.5000 0.8600
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.2349]
_cell_length_b [9.2349]
_cell_length_c [17.2621]
_... |
agm001077682 | SbSn2Ti4 | data_[Ti8Sn4Sb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Sn 1.9600 1.4500 0.8300
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.8969]
_cell_length_b [4.8969]
_cell_length_c [14.6080]
... |
oqmd-3652392 | IrORbSe | data_[Rb2Ir2Se2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ir 2.2000 1.3500 0.7650
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.3662]
_cell_length_b [7.0... |
agm003497216 | Cu2PmPt6 | data_[Pm8Cu16Pt48]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Cu 1.9000 1.3500 0.8200
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [11.2628]
_cell_length_b [11.2628]
_cell_length_c [11.262... |
agm005436001 | CdCrP4 | data_[Cr4Cd4P16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Cd 1.6900 1.5500 1.0900
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.3540]
_cell_length_b [7.3540]
_cell_length_c [7.3540]
_ce... |
agm004852020 | Li2NaS4Ta | data_[Na2Li4Ta2S8]
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
Ta 1.5000 1.4500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [6.1198]
_cell_length_b [6.11... |
agm002742808 | BiTaTl2 | data_[Ta4Tl8Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Tl 1.6200 1.9000 1.3325
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4890]
_cell_length_b [7.4890]
_cell_length_c [7.4890]
_c... |
agm005663107 | Ge5Pu4Si2 | data_[Pu4Si2Ge5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Si 1.9000 1.1000 0.5400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8369]
_cell_length_b [4.2219]
_cell_length_c [7.9912]
_ce... |
agm003765173 | Ca6CdMg | data_[Ca12Mg2Cd2]
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
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3985]
_cell_length_b [12.8549]
_cell_length_c [7.3907]
_... |
agm001560068 | Ca2RuTcY | data_[Ca2Y1Tc1Ru1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Y 1.2200 1.8000 1.0400
Tc 1.9000 1.3500 0.7417
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.3399]
_cell_length_b [5.3... |
agm005893101 | B4BeMo | data_[Be4B16Mo4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
B 2.0400 0.8500 0.4100
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.5719]
_cell_length_b [6.9166]
_cell_length_c [3.1241]
_cel... |
agm001114976 | EuGe2Th | data_[Eu1Th1Ge2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Th 1.3000 1.8000 1.0800
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.4597]
_cell_length_b [3.4597]
_cell_length_c [8.3420]
_... |
agm001738723 | IrN2NaTe | data_[Na1Te1Ir1N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Te 2.1000 1.4000 1.2933
Ir 2.2000 1.3500 0.7650
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0969]
_cell_length_b [4.0... |
agm005071646 | F6KPdRb | data_[K1Rb1Pd1F6]
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
Pd 2.2000 1.4000 0.8462
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.9443]
_cell_length_b [5.9443]... |
agm001446110 | CoInSiTc2 | data_[In1Co1Si1Tc2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.4245]
_cell_length_b [4... |
agm1000004654 | Lu2S3 | data_[Lu2S3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [16.9612]
_cell_length_b [4.9910]
_cell_length_c [16.9612]
_cell_angle_alpha [90.0000]
_cell_ang... |
agm004680643 | Ba5Cl2CrN4 | data_[Ba10Cr2N8Cl4]
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
N 3.0400 0.6500 0.6300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.7708]
_cell_length_b [9.68... |
agm2000122208 | LiPt | data_[Li2Pt2]
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 [P6/mmm]
_cell_length_a [4.3456]
_cell_length_b [4.3456]
_cell_length_c [17.5556]
_cell_angle_alpha [90.0000]
_cel... |
agm002687130 | FeK2Os | data_[K8Fe4Os4]
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
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7291]
_cell_length_b [7.7291]
_cell_length_c [7.7291]
_cel... |
agm004345927 | P2RhZr | data_[Zr3P6Rh3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
P 2.1900 1.0000 0.5500
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.1085]
_cell_length_b [3.1085]
_cell_length_c [22.9814]
_cell... |
agm004859242 | PuSe4SrTl2 | data_[Sr1Pu1Tl2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Pu 1.2800 1.7500 0.9675
Tl 1.6200 1.9000 1.3325
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.5489]
_cell_length_b [4.3... |
agm004463239 | MnW | data_[Mn8W8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [P4/m]
_cell_length_a [7.4789]
_cell_length_b [7.4789]
_cell_length_c [4.2839]
_cell_angle_alpha [90.0000]
_cell_ang... |
oqmd-7484526 | DyKPtTe3 | data_[K4Dy4Te12Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Dy 1.2200 1.7500 1.1310
Te 2.1000 1.4000 1.2933
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3043]
_cell_length_b [17.5... |
oqmd-2333402 | BHfTa2 | data_[Hf4Ta8B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ta 1.5000 1.4500 0.8200
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.3761]
_cell_length_b [6.3761]
_cell_length_c [6.3761]
_cel... |
agm001973431 | ClDyPr2 | data_[Pr6Dy3Cl3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Dy 1.2200 1.7500 1.1310
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.6899]
_cell_length_b [3.6899]
_cell_length_c [31.2786]
_c... |
agm004902532 | Na2O8UW | data_[Na2U1W1O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
U 1.3800 1.7500 0.9913
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.8044]
_cell_length_b [6.6319]
_... |
agm002529880 | IrMnW3 | data_[Mn1Ir1W3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Ir 2.2000 1.3500 0.7650
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.4062]
_cell_length_b [4.4062]
_cell_length_c [4.4062]
_cel... |
oqmd-2577150 | BTi2 | data_[Ti8B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [3.2814]
_cell_length_b [9.6641]
_cell_length_c [5.2298]
_cell_angle_alpha [90.0000]
_cell_ang... |
oqmd-7673446 | FHoO | data_[Ho2O2F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.7892]
_cell_length_b [3.7892]
_cell_length_c [5.3950]
_cell... |
oqmd-2572884 | CrOsReSn | data_[Cr4Re4Sn4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Re 1.9000 1.3500 0.7125
Sn 1.9600 1.4500 0.8300
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.2431]
_cell_length_b [6.... |
agm004253492 | CaIrTe2 | data_[Ca2Te4Ir2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Te 2.1000 1.4000 1.2933
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.2191]
_cell_length_b [4.2191]
_cell_length_c [10.3999]
_... |
agm001756934 | ClFMnP2 | data_[Mn1P2Cl1F1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
P 2.1900 1.0000 0.5500
Cl 3.1600 1.0000 0.7800
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0923]
_cell_length_b [4.092... |
agm001785343 | InRbSb2Te | data_[Rb1In1Sb2Te1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
In 1.7800 1.5500 0.9400
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 [6.2481]
_cell_length_b [6... |
agm003865999 | BeTc3 | data_[Be3Tc9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.7302]
_cell_length_b [2.7302]
_cell_length_c [24.9745]
_cell_angle_alpha [90.0000]
_cell_... |
agm005451343 | AsHg4Te | data_[Hg16Te4As4]
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
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.5192]
_cell_length_b [8.5192]
_cell_length_c [8.5192]
_... |
agm003698632 | Ho8Sb6Sm | data_[Sm3Ho24Sb18]
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
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [8.0076]
_cell_length_b [8.0076]
_cell_length_c [24.7026]
_... |
agm003969557 | MgMo2Sr | data_[Sr2Mg2Mo4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Mg 1.3100 1.5000 0.8600
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.3811]
_cell_length_b [5.4539]
_cell_length_c [10.1806]
_c... |
agm004936696 | Br6Cs2LaRb | data_[Cs4Rb2La2Br12]
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
La 1.1000 1.9500 1.1720
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.4735]
_cell_length_b [... |
agm001576512 | CCuRuTi2 | data_[Ti2Cu1Ru1C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Cu 1.9000 1.3500 0.8200
Ru 2.2000 1.3000 0.6610
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6754]
_cell_length_b [4.6... |
agm002684998 | HSn2Zr | data_[Zr4Sn8H4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Sn 1.9600 1.4500 0.8300
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9644]
_cell_length_b [6.9644]
_cell_length_c [6.9644]
_cel... |
agm002705668 | CaN2Si | data_[Ca4Si4N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Si 1.9000 1.1000 0.5400
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.5988]
_cell_length_b [5.5988]
_cell_length_c [5.5988]
_cel... |
agm002513875 | Bi3GeLi | data_[Li1Ge1Bi3]
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
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.6007]
_cell_length_b [5.6007]
_cell_length_c [5.6007]
_c... |
oqmd-3665870 | HfNiTl | data_[Hf4Tl4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Tl 1.6200 1.9000 1.3325
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.1891]
_cell_length_b [6.1891]
_cell_length_c [6.1891]
_c... |
agm005723318 | HfOs3Sc2 | data_[Hf2Sc4Os6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Sc 1.3600 1.6000 0.8850
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.5668]
_cell_length_b [13.6738]
_cell_length_c [3.2335]
_c... |
agm005722673 | Hg3Na2Nd | data_[Na8Nd4Hg12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Nd 1.1400 1.8500 1.2765
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.3045]
_cell_length_b [15.9458]
_cell_length_c [7.5744]
_... |
agm001816037 | In2PaZr | data_[Zr1Pa1In2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Pa 1.5000 1.8000 1.0400
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.1376]
_cell_length_b [3.1376]
_cell_length_c [9.5199]
_... |
agm001832598 | SnTeTl | data_[Tl2Sn2Te2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Sn 1.9600 1.4500 0.8300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.9485]
_cell_length_b [3.9485]
_cell_length_c [12.0970]
_c... |
agm002884284 | Mo2RbS | data_[Rb4Mo8S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Mo 2.1600 1.4500 0.7750
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [4.9153]
_cell_length_b [4.9153]
_cell_length_c [17.4739]
... |
agm002232767 | CePTa | data_[Ce4Ta4P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ta 1.5000 1.4500 0.8200
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.6320]
_cell_length_b [3.6491]
_cell_length_c [8.1856]
_cell... |
agm001795187 | BrGaNSe2 | data_[Ga1Se2Br1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Se 2.5500 1.1500 1.0133
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 [5.4050]
_cell_length_b [5.4... |
agm004735316 | Ac8AuCo3I4 | data_[Ac24Co9Au3I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Co 1.8800 1.3500 0.7683
Au 2.5400 1.3500 1.0700
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.7445]
_cell_length_b [8.7... |
agm004331842 | CaOs2W | data_[Ca1Os2W1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Os 2.2000 1.3000 0.6730
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.0476]
_cell_length_b [4.5128]
_cell_length_c [4.8307]
_cell... |
agm004628314 | Ca3NaSe6Y2 | data_[Na2Ca6Y4Se12]
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
Y 1.2200 1.8000 1.0400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2253]
_cell_length_b [12.5... |
agm001379828 | AlHgLiPd | data_[Li4Al4Hg4Pd4]
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
Hg 2.0000 1.5000 1.2450
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.3241]
_cell_length_b [6.... |
agm002966327 | Ca2InZn2 | data_[Ca4Zn4In2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Zn 1.6500 1.3500 0.8800
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.5957]
_cell_length_b [8.5957]
_cell_length_c [3.6469]
_... |
agm004863039 | HoNd2Pm4Sc | data_[Pm4Nd2Ho1Sc1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Nd 1.1400 1.8500 1.2765
Ho 1.2300 1.7500 1.0410
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0929]
_cell_length_b [5... |
agm001341946 | CoCuFeZn | data_[Zn4Fe4Co4Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Fe 1.8300 1.4000 0.8525
Co 1.8800 1.3500 0.7683
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.7771]
_cell_length_b [5.... |
agm2000092422 | In3PTe3 | data_[In6Te6P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Te 2.1000 1.4000 1.2933
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.3800]
_cell_length_b [12.8523]
_cell_length_c [18.0671]
_cell... |
agm001918821 | FePrTmZn | data_[Pr4Tm4Zn4Fe4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Tm 1.2500 1.7500 1.0950
Zn 1.6500 1.3500 0.8800
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.0499]
_cell_length_b [7.... |
agm004025394 | CaMnSc2 | data_[Ca2Sc4Mn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Sc 1.3600 1.6000 0.8850
Mn 1.5500 1.4000 0.6483
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2822]
_cell_length_b [10.6986]
_cell_length_c [3.2153]
_c... |
agm003909724 | Au2ClOs | data_[Os1Au2Cl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Os 2.2000 1.3000 0.6730
Au 2.5400 1.3500 1.0700
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9019]
_cell_length_b [3.9019]
_cell_length_c [4.6135]
_... |
agm003370748 | Dy12Tl5Zn2 | data_[Dy24Tl10Zn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Tl 1.6200 1.9000 1.3325
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.1269]
_cell_length_b [7.1233]
_cell_length_c [9.0290]
... |
agm005967622 | AlRh5Ti2 | data_[Ti4Al2Rh10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Al 1.6100 1.2500 0.6750
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [5.3838]
_cell_length_b [10.5907]
_cell_length_c [4.0044]
_... |
agm002359145 | MnSn2V6 | data_[Mn1V6Sn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
V 1.6300 1.3500 0.7775
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.2740]
_cell_length_b [7.2740]
_cell_length_c [3.0228]
_cel... |
agm004115068 | CrFeLa2 | data_[La2Cr1Fe1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Cr 1.6600 1.4000 0.9400
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.5840]
_cell_length_b [3.5840]
_cell_length_c [7.3571]
_ce... |
agm001580982 | CaCdI2W | data_[Ca1Cd1W1I2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Cd 1.6900 1.5500 1.0900
W 2.3600 1.3500 0.7667
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.9478]
_cell_length_b [5.947... |
agm003695727 | Ag6KSn6 | data_[K2Ag12Sn12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ag 1.9300 1.6000 1.0867
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.9293]
_cell_length_b [9.9423]
_cell_length_c [10.2540]
_c... |
agm003320752 | Co2Te2Tm7 | data_[Tm14Co4Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Co 1.8800 1.3500 0.7683
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.3203]
_cell_length_b [10.3281]
_cell_length_c [7.0152]
_... |
agm004820263 | Ca2SnSrTe4 | data_[Sr1Ca2Sn1Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ca 1.0000 1.8000 1.1400
Sn 1.9600 1.4500 0.8300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.9546]
_cell_length_b [4.5... |
agm004414985 | Ir2SeTa | data_[Ta2Ir4Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Ir 2.2000 1.3500 0.7650
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.6478]
_cell_length_b [7.8049]
_cell_length_c [2.9263]
_ce... |
agm005004713 | InKNaTl2 | data_[K2Na2Tl4In2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Na 0.9300 1.8000 1.1600
Tl 1.6200 1.9000 1.3325
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [6.4593]
_cell_length_b [7.144... |
agm001093995 | HoMgPr2 | data_[Pr8Ho4Mg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ho 1.2300 1.7500 1.0410
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.9696]
_cell_length_b [7.9696]
_cell_length_c [7.9696]
_c... |
agm002008340 | BeNd2P | data_[Nd6Be3P3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Be 1.5700 1.0500 0.5900
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.0506]
_cell_length_b [4.0506]
_cell_length_c [27.3494]
_cel... |
oqmd-3896552 | FeHgLu2 | data_[Lu8Fe4Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Fe 1.8300 1.4000 0.8525
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.8549]
_cell_length_b [6.8549]
_cell_length_c [6.8549]
_c... |
agm004716294 | ClNd8Pt3Te4 | data_[Nd24Te12Pt9Cl3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Te 2.1000 1.4000 1.2933
Pt 2.2800 1.3500 0.8050
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.5801]
_cell_length_b [8... |
agm005741560 | Pb2RhY3 | data_[Y12Rh4Pb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [Pnma]
_cell_length_a [12.5445]
_cell_length_b [4.4136]
_cell_length_c [11.7816]
_c... |
agm004212305 | CuMo2Ru | data_[Cu2Mo4Ru2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Mo 2.1600 1.4500 0.7750
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.3854]
_cell_length_b [7.8085]
_cell_length_c [2.7503]
_ce... |
mp-1022494 | Mg6SrZr | data_[Sr2Mg12Zr2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Mg 1.3100 1.5000 0.8600
Zr 1.3300 1.5500 0.8600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.7559]
_cell_length_b [9.2251]
_cell_length_c [9.4014]
_c... |
agm005744908 | CrF3Na | data_[Na4Cr4F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Cr 1.6600 1.4000 0.9400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.9376]
_cell_length_b [3.1764]
_cell_length_c [6.7089]
_ce... |
mp-1225525 | Er2GaMn3 | data_[Er6Mn9Ga3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Mn 1.5500 1.4000 0.6483
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3684]
_cell_length_b [5.3684]
_cell_length_c [12.8119]
_c... |
agm001932974 | Hf2NbSi | data_[Hf6Nb3Si3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Nb 1.6000 1.4500 0.8200
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.1726]
_cell_length_b [3.1726]
_cell_length_c [26.9492]
_c... |
oqmd-8979293 | C3Cu3Mn4W2 | data_[Mn16Cu12W8C12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Cu 1.9000 1.3500 0.8200
W 2.3600 1.3500 0.7667
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.6250]
_cell_length_b [4.97... |
agm003613529 | Ce2GeP | data_[Ce6Ge3P3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ge 2.0100 1.2500 0.7700
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.1523]
_cell_length_b [4.1523]
_cell_length_c [20.4551]
_cel... |
agm005214957 | CoIrMnV | data_[Mn1V1Co1Ir1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
V 1.6300 1.3500 0.7775
Co 1.8800 1.3500 0.7683
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.6585]
_cell_length_b [3.678... |
agm001291036 | HfPtTiZr | data_[Hf4Zr4Ti4Pt4]
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
Ti 1.5400 1.4000 0.8517
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.6994]
_cell_length_b [6.... |
agm004826448 | CeDyNp2Se4 | data_[Ce1Dy1Np2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Dy 1.2200 1.7500 1.1310
Np 1.3600 1.7500 1.0000
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1062]
_cell_length_b [4.1... |
oqmd-3547352 | CoFeOSe | data_[Fe4Co4Se4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Co 1.8800 1.3500 0.7683
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [5.6946]
_cell_length_b ... |
oqmd-5428093 | Ce2Pr | data_[Ce8Pr4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Pr 1.1300 1.8500 1.0600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.9581]
_cell_length_b [7.9581]
_cell_length_c [7.9581]
_cell_angle_alpha [90.0000]
_cell_... |
agm002718847 | K2OTe | data_[K8Te4O4]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.9402]
_cell_length_b [7.9402]
_cell_length_c [7.9402]
_cell_... |
agm003418990 | Bi2Li3Tl | data_[Li3Tl1Bi2]
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
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.4259]
_cell_length_b [3.4259]
_cell_length_c [11.9626]
... |
agm004845412 | Ce2LaP4Pm | data_[La1Ce2Pm1P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ce 1.1200 1.8500 1.0800
Pm 1.1300 1.8500 1.1100
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1788]
_cell_length_b [4.143... |
agm005844801 | AlIn2Nd4 | data_[Nd12Al3In6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Al 1.6100 1.2500 0.6750
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3556]
_cell_length_b [5.3556]
_cell_length_c [26.2450]
_... |
agm002866441 | NaRe2Ta | data_[Na4Ta4Re8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ta 1.5000 1.4500 0.8200
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [7.3703]
_cell_length_b [7.3703]
_cell_length_c [5.3956]
_c... |
agm002659738 | Cl2ScTc | data_[Sc4Tc4Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Tc 1.9000 1.3500 0.7417
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4666]
_cell_length_b [6.4666]
_cell_length_c [6.4666]
_c... |
mp-1235130 | H6LiNd2O6 | data_[Li1Nd2H6O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Nd 1.1400 1.8500 1.2765
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.8105]
_cell_length_b [6.5208]
... |
agm004384016 | Ag2ReSe | data_[Re2Ag4Se2]
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
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.7920]
_cell_length_b [3.7920]
_cell_length_c [9.8618]
_... |
agm004613211 | As2Sb3TeTh6 | data_[Th12Sb6Te2As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Sb 2.0500 1.4500 0.8300
Te 2.1000 1.4000 1.2933
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.2260]
_cell_length_b [4... |
agm005657764 | Cs2In6Tl9 | data_[Cs2Tl9In6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Tl 1.6200 1.9000 1.3325
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [7.1973]
_cell_length_b [7.1973]
_cell_length_c [14.5250]
... |
agm1000003669 | CrO | data_[Cr2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [15.7577]
_cell_length_b [6.4828]
_cell_length_c [15.7577]
_cell_angle_alpha [90.0000]
_cell_ang... |
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