Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm005267087 | Sc2Si3 | data_[Sc2Si3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.0795]
_cell_length_b [4.0795]
_cell_length_c [6.3705]
_cell_angle_alpha [90.0000]
_cell_... |
agm004181311 | Cd2OsPt | data_[Cd2Os1Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Os 2.2000 1.3000 0.6730
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.8759]
_cell_length_b [2.8759]
_cell_length_c [8.3782]
_... |
oqmd-4444360 | ErLu2 | data_[Er8Lu16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Lu 1.2700 1.7500 1.0010
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [14.1881]
_cell_length_b [14.1881]
_cell_length_c [14.1881]
_cell_angle_alpha [90.0000]
_c... |
oqmd-4648596 | EuTe3TlZn | data_[Eu4Tl4Zn4Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Tl 1.6200 1.9000 1.3325
Zn 1.6500 1.3500 0.8800
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2676]
_cell_length_b [15... |
agm002830238 | BaFeRb2 | data_[Rb8Ba4Fe4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ba 0.8900 2.1500 1.4900
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [8.2081]
_cell_length_b [8.2081]
_cell_length_c [13.9279... |
agm002728374 | La2RuTe | data_[La8Te4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Te 2.1000 1.4000 1.2933
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5447]
_cell_length_b [7.5447]
_cell_length_c [7.5447]
_c... |
oqmd-8991545 | Na2NiO6Te | data_[Na4Ni2Te2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ni 1.9100 1.3500 0.7400
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.3908]
_cell_length_b [5.... |
agm001347726 | ClInPuTe | data_[Pu4In4Te4Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
In 1.7800 1.5500 0.9400
Te 2.1000 1.4000 1.2933
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.6639]
_cell_length_b [7.... |
agm003892758 | ClSe2Si | data_[Si1Se2Cl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Se 2.5500 1.1500 1.0133
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.4308]
_cell_length_b [3.0951]
_cell_length_c [6.7732]
_cell... |
agm002800732 | BeOSe2 | data_[Be4Se8O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [4.8717]
_cell_length_b [4.8717]
_cell_length_c [11.6947]
_ce... |
agm004545365 | CCo2Ga2La2 | data_[La4Ga4Co4C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.2458]
_cell_length_b [4.14... |
agm005417996 | Cd2Cu3 | data_[Cd6Cu9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.8740]
_cell_length_b [2.8740]
_cell_length_c [33.2001]
_cell_angle_alpha [90.0000]
_cell_... |
oqmd-9840543 | Al5LaNiPd | data_[La2Al10Ni2Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Al 1.6100 1.2500 0.6750
Ni 1.9100 1.3500 0.7400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.0827]
_cell_length_b [7.... |
agm004582234 | BiDy2Na2O6 | data_[Na4Dy4Bi2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Dy 1.2200 1.7500 1.1310
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.9646]
_cell_length_b [10.3... |
agm004228580 | CdCrSr2 | data_[Sr4Cr2Cd2]
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
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.9083]
_cell_length_b [4.6103]
_cell_length_c [12.4353]
_c... |
agm002036472 | BeCoTc | data_[Be1Co1Tc1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Co 1.8800 1.3500 0.7683
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.8576]
_cell_length_b [3.8576]
_cell_length_c [2.5658]
_c... |
agm005597367 | AuBaPb | data_[Ba8Pb8Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Pb 2.3300 1.8000 1.1225
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.1246]
_cell_length_b [16.8517]
_cell_length_c [8.7902]
_c... |
mp-1516730 | BaBiNaNbO6 | data_[Ba4Na4Nb4Bi4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Na 0.9300 1.8000 1.1600
Nb 1.6000 1.4500 0.8200
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_lengt... |
agm005015369 | CeDySe2Te | data_[Ce2Dy2Te2Se4]
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
Te 2.1000 1.4000 1.2933
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.6335]
_cell_length_b [4.6... |
agm006134682 | Pt6Rh5Ta | data_[Ta2Pt12Rh10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Pt 2.2800 1.3500 0.8050
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.9173]
_cell_length_b [7.9231]
_cell_length_c [11.7187]
... |
agm005699395 | CaPm3Tb2 | data_[Ca4Tb8Pm12]
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
Pm 1.1300 1.8500 1.1100
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [10.1321]
_cell_length_b [12.3354]
_cell_length_c [6.7060]
... |
agm001257878 | Co5N12Nd3 | data_[Nd24Co40N96]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Co 1.8800 1.3500 0.7683
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [12.2978]
_cell_length_b [12.2978]
_cell_length_c [12.2978... |
agm2000090295 | Na2S3V | data_[Na2V1S3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
V 1.6300 1.3500 0.7775
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [7.0502]
_cell_length_b [3.8383]
_cell_length_c [18.5356]
_cell_an... |
agm002840037 | HPSn2 | data_[Sn8P4H4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
P 2.1900 1.0000 0.5500
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.8396]
_cell_length_b [5.8396]
_cell_length_c [10.4019]
_cell... |
agm005193518 | HoPbPuRu | data_[Ho1Pu1Ru1Pb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Pu 1.2800 1.7500 0.9675
Ru 2.2000 1.3000 0.6610
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.3318]
_cell_length_b [3.3... |
agm004585698 | Ag2Cr2PaS6 | data_[Pa2Cr4Ag4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Cr 1.6600 1.4000 0.9400
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3180]
_cell_length_b [10.9... |
agm003452023 | N4PrRe2 | data_[Pr4Re8N16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Re 1.9000 1.3500 0.7125
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.3025]
_cell_length_b [9.8714]
_cell_length_c [10.1237]
_ce... |
agm005798747 | Ac12SmY7 | data_[Ac36Sm3Y21]
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
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [20.6730]
_cell_length_b [20.6730]
_cell_length_c [7.1135]
_c... |
agm005961677 | Br6K3Nd | data_[K18Nd6Br36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Nd 1.1400 1.8500 1.2765
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [13.5353]
_cell_length_b [13.5353]
_cell_length_c [15.9586]
_... |
agm004578905 | AcCs2Mo2N6 | data_[Cs4Ac2Mo4N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ac 1.1000 1.9500 1.2600
Mo 2.1600 1.4500 0.7750
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.7727]
_cell_length_b [6.6... |
agm005138119 | B2BeHo2Ir5 | data_[Ho4Be2B4Ir10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Be 1.5700 1.0500 0.5900
B 2.0400 0.8500 0.4100
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.5098]
_cell_length_b [9.... |
agm001292454 | CoNiTiZn | data_[Ti4Zn4Co4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Zn 1.6500 1.3500 0.8800
Co 1.8800 1.3500 0.7683
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.8477]
_cell_length_b [5.... |
agm005545412 | Sn4Tc | data_[Tc12Sn48]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.0280]
_cell_length_b [13.0519]
_cell_length_c [9.7452]
_cell_angle_alpha [90.0000]
_ce... |
agm005865844 | CdRuSc4 | data_[Sc4Cd1Ru1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Cd 1.6900 1.5500 1.0900
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.2636]
_cell_length_b [3.2636]
_cell_length_c [12.0351]
... |
agm004784186 | BaDy2N4Tc | data_[Ba4Dy8Tc4N16]
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
Tc 1.9000 1.3500 0.7417
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.4867]
_cell_length_b [12.3... |
agm006054572 | AcHo6Tb4 | data_[Ac4Tb16Ho24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Tb 1.1000 1.7500 0.9815
Ho 1.2300 1.7500 1.0410
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.8014]
_cell_length_b [9.6845]
_cell_length_c [25.6438]
... |
agm001452234 | Ge2IRbV | data_[Rb1V1Ge2I1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
V 1.6300 1.3500 0.7775
Ge 2.0100 1.2500 0.7700
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.6467]
_cell_length_b [5.646... |
agm005466424 | ReY2 | data_[Y16Re8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [8.2163]
_cell_length_b [8.2163]
_cell_length_c [8.2163]
_cell_angle_alpha [90.0000]
_cell_a... |
agm004484808 | F6HInRb2 | data_[Rb4In2H2F12]
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
H 2.2000 0.2500 0.0000
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.4740]
_cell_length_b [5.47... |
agm001705561 | HgI2NTi | data_[Ti1Hg1I2N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Hg 2.0000 1.5000 1.2450
I 2.6600 1.4000 1.2733
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.1765]
_cell_length_b [6.176... |
agm004751323 | Cu2SSe2Sn | data_[Cu8Sn4Se8S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Sn 1.9600 1.4500 0.8300
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [12.0156]
_cell_length_b [6.... |
agm002403548 | BFeMo3 | data_[Fe1B1Mo3]
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
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.1275]
_cell_length_b [4.1275]
_cell_length_c [4.1275]
_cel... |
agm004993818 | CaN2YZn | data_[Ca2Y2Zn2N4]
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
Zn 1.6500 1.3500 0.8800
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pccm]
_cell_length_a [5.2507]
_cell_length_b [5.3692]... |
agm003343545 | Al3Au5Sr2 | data_[Sr2Al3Au5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Al 1.6100 1.2500 0.6750
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.4059]
_cell_length_b [4.4059]
_cell_length_c [11.5465]
_... |
agm005798244 | AsCs6Te | data_[Cs12Te2As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
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 [18.9118]
_cell_length_b [6.4938]
_cell_length_c [11.2388]
... |
agm005909588 | AlCe8Os2 | data_[Ce8Al1Os2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Al 1.6100 1.2500 0.6750
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.3743]
_cell_length_b [6.4107]
_cell_length_c [8.8635]
_cell... |
agm002216591 | BrH3Y2 | data_[Y2H3Br1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
H 2.2000 0.2500 0.0000
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.8666]
_cell_length_b [3.8666]
_cell_length_c [7.1642]
_cell_... |
oqmd-9820337 | CHfNbPb | data_[Hf2Nb2Pb2C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Nb 1.6000 1.4500 0.8200
Pb 2.3300 1.8000 1.1225
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.3522]
_cell_length_b [3.35... |
agm005769857 | BiPt5Tb | data_[Tb4Bi4Pt20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Bi 2.0200 1.6000 1.0350
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.9271]
_cell_length_b [5.5263]
_cell_length_c [11.0702]
_... |
agm005758677 | Ca2NaSn6 | data_[Na2Ca4Sn12]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.7245]
_cell_length_b [7.2410]
_cell_length_c [15.9388]
_... |
agm005608183 | La3Tb2Tm8 | data_[La6Tb4Tm16]
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
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [22.6773]
_cell_length_b [5.5355]
_cell_length_c [6.8158]
_... |
agm001000969 | BaGeTl | data_[Ba16Tl16Ge16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Tl 1.6200 1.9000 1.3325
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [9.6167]
_cell_length_b [12.4614]
_cell_length_c [15.1551... |
agm003418815 | C3Pu2W | data_[Pu4W2C6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
W 2.3600 1.3500 0.7667
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.3182]
_cell_length_b [4.5976]
_cell_length_c [10.4631]
_cell_... |
agm005768028 | Au14SnZn | data_[Zn1Sn1Au14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Sn 1.9600 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.9542]
_cell_length_b [5.9542]
_cell_length_c [8.2200]
... |
agm006019516 | Pm3Sc6Tb | data_[Tb3Pm9Sc18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Pm 1.1300 1.8500 1.1100
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.3524]
_cell_length_b [9.3524]
_cell_length_c [11.2780]
_c... |
agm005478636 | AuBa4Sb | data_[Ba16Sb4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sb 2.0500 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [10.0145]
_cell_length_b [10.0145]
_cell_length_c [10.0145... |
agm2000067386 | Cu2OSe | data_[Cu2Se1O1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.9078]
_cell_length_b [5.6690]
_cell_length_c [16.6282]
_cel... |
agm004217160 | HgRe2Sb | data_[Re4Hg2Sb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
Hg 2.0000 1.5000 1.2450
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.1301]
_cell_length_b [5.1642]
_cell_length_c [9.1273]
_ce... |
agm2000065962 | ClLi3Te | data_[Li3Te1Cl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Te 2.1000 1.4000 1.2933
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.8992]
_cell_length_b [4.4682]
_cell_length_c [16.7406]
_cel... |
agm003288581 | Dy5Tl2 | data_[Dy15Tl6]
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
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3952]
_cell_length_b [5.3952]
_cell_length_c [24.1349]
_cell_angle_alpha [90.0000]
_cell... |
agm005984495 | NpRu4Tm3 | data_[Tm3Np1Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Np 1.3600 1.7500 1.0000
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.3573]
_cell_length_b [4.8182]
_cell_length_c [9.3868]
_ce... |
agm005007852 | INa2ORb | data_[Rb4Na8I4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Na 0.9300 1.8000 1.1600
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3753]
_cell_length_b [15.9975... |
oqmd-9784591 | Ag2GeSc2Si | data_[Sc8Si4Ag8Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Si 1.9000 1.1000 0.5400
Ag 1.9300 1.6000 1.0867
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [10.8037]
_cell_length_b [4.41... |
agm002437728 | Ca3CsHf | data_[Cs1Ca3Hf1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ca 1.0000 1.8000 1.1400
Hf 1.3000 1.5500 0.8500
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.7308]
_cell_length_b [5.7308]
_cell_length_c [5.7308]
_c... |
agm002678818 | Ge2ReY | data_[Y4Re4Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Re 1.9000 1.3500 0.7125
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5664]
_cell_length_b [6.5664]
_cell_length_c [6.5664]
_cel... |
agm006044226 | Al6Cu3Ho | data_[Ho2Al12Cu6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.6233]
_cell_length_b [4.0468]
_cell_length_c [9.8463]
... |
agm004014060 | AlClFe2 | data_[Al3Fe6Cl3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Fe 1.8300 1.4000 0.8525
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.8733]
_cell_length_b [2.8733]
_cell_length_c [23.6549]
_c... |
oqmd-6767710 | Au2ErEuGa4 | data_[Eu2Er2Ga8Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Er 1.2400 1.7500 1.0300
Ga 1.8100 1.3000 0.7600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [6.6838]
_cell_length_b [4.5... |
agm004219990 | Ir2RhSe | data_[Ir2Rh1Se1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ir 2.2000 1.3500 0.7650
Rh 2.2800 1.3500 0.7450
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.8301]
_cell_length_b [3.7928]
_cell_length_c [5.7434]
_ce... |
agm001010682 | InIrPt | data_[In4Ir4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Ir 2.2000 1.3500 0.7650
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.4639]
_cell_length_b [3.4639]
_cell_length_c [18.7851]
... |
agm005006047 | AgLiPd2Pr | data_[Li2Pr2Ag2Pd4]
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
Ag 1.9300 1.6000 1.0867
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.9290]
_cell_length_b [3.... |
agm002814513 | Cl2CsSn | data_[Cs4Sn4Cl8]
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
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [6.4407]
_cell_length_b [6.4407]
_cell_length_c [17.5440]
_... |
agm003641029 | Ag5Cd4Na | data_[Na2Cd8Ag10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Cd 1.6900 1.5500 1.0900
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [9.3001]
_cell_length_b [9.3001]
_cell_length_c [5.2361]
_cel... |
agm005475454 | BeCd4Pt | data_[Be4Cd16Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Cd 1.6900 1.5500 1.0900
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.7496]
_cell_length_b [7.7496]
_cell_length_c [7.7496]
_... |
mp-1198961 | Br6CoN6Tl | data_[Tl4Co4Br24N24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Co 1.8800 1.3500 0.7683
Br 2.9600 1.1500 0.8825
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pa-3]
_cell_length_a [10.8315]
_cell_length_b [10... |
agm004548922 | Cd2Er2TbTl2 | data_[Tb3Er6Tl6Cd6]
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
Tl 1.6200 1.9000 1.3325
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.0110]
_cell_length_b [5.0... |
agm004971634 | Cu2O6PuTc | data_[Pu3Cu6Tc3O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Cu 1.9000 1.3500 0.8200
Tc 1.9000 1.3500 0.7417
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.3061]
_cell_length_b [5.306... |
agm005458601 | IrMoOs4 | data_[Mo4Ir4Os16]
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
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.2017]
_cell_length_b [7.2017]
_cell_length_c [7.2017]
_... |
agm001078236 | BeH4V2 | data_[Be2V4H8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
V 1.6300 1.3500 0.7775
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [2.9589]
_cell_length_b [2.9589]
_cell_length_c [9.8306]
_cell... |
agm005844337 | Er2IrOs3 | data_[Er6Ir3Os9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ir 2.2000 1.3500 0.7650
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.2427]
_cell_length_b [5.2427]
_cell_length_c [13.5480]
_c... |
agm001931713 | BiHf2Pt | data_[Hf6Bi3Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Bi 2.0200 1.6000 1.0350
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.9331]
_cell_length_b [3.9331]
_cell_length_c [21.1429]
_c... |
agm005634275 | AcNiPb | data_[Ac4Ni4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Ni 1.9100 1.3500 0.7400
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5996]
_cell_length_b [4.4606]
_cell_length_c [5.7372]
_c... |
agm003983478 | ClRuW2 | data_[Ru2W4Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ru 2.2000 1.3000 0.6610
W 2.3600 1.3500 0.7667
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [3.1165]
_cell_length_b [4.7641]
_cell_length_c [8.7240]
_cell... |
agm003603509 | AgCdRb | data_[Rb4Cd4Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Cd 1.6900 1.5500 1.0900
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.6343]
_cell_length_b [4.7002]
_cell_length_c [6.6892]
_c... |
agm005896457 | In2PmTm9 | data_[Pm1Tm9In2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Tm 1.2500 1.7500 1.0950
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.8206]
_cell_length_b [4.8206]
_cell_length_c [14.7741]
... |
agm006078175 | LiPb3Pd4 | data_[Li2Pd8Pb6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Pd 2.2000 1.4000 0.8462
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.7592]
_cell_length_b [4.7592]
_cell_length_c [13.5165]
... |
agm001242372 | PuSi2Sn | data_[Pu1Si2Sn1]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.4001]
_cell_length_b [4.4001]
_cell_length_c [4.0361]
_... |
agm006182758 | Ru4Sc | data_[Sc1Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.5069]
_cell_length_b [4.5069]
_cell_length_c [4.5069]
_cell_angle_alpha [90.0000]
_cell_... |
agm005969348 | Dy3ErMg4 | data_[Dy3Er1Mg4]
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
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7798]
_cell_length_b [3.7798]
_cell_length_c [15.1398]
... |
agm001624578 | CHf2InTi | data_[Hf2Ti1In1C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ti 1.5400 1.4000 0.8517
In 1.7800 1.5500 0.9400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5170]
_cell_length_b [4.5... |
agm004458313 | RbRh | data_[Rb6Rh6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pm-3n]
_cell_length_a [8.9685]
_cell_length_b [8.9685]
_cell_length_c [8.9685]
_cell_angle_alpha [90.0000]
_cell_... |
agm005785557 | K12Rb7S | data_[K36Rb21S3]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [24.7085]
_cell_length_b [24.7085]
_cell_length_c [8.4943]
_ce... |
agm004050569 | BaCrSb2 | data_[Ba2Cr2Sb4]
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
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.7482]
_cell_length_b [6.8417]
_cell_length_c [7.9798]
_ce... |
agm004802155 | Au4Be2DyZn | data_[Dy3Be6Zn3Au12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Be 1.5700 1.0500 0.5900
Zn 1.6500 1.3500 0.8800
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.2118]
_cell_length_b [4.... |
agm004850273 | GeS2Sm4Te | data_[Sm4Ge1Te1S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ge 2.0100 1.2500 0.7700
Te 2.1000 1.4000 1.2933
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1881]
_cell_length_b [4.175... |
agm002397208 | AlP3Pt | data_[Al1P3Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
P 2.1900 1.0000 0.5500
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.7170]
_cell_length_b [4.7170]
_cell_length_c [4.7170]
_cel... |
agm003597752 | BaCaSn | data_[Ba2Ca2Sn2]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [5.6280]
_cell_length_b [5.6280]
_cell_length_c [9.8881]
_c... |
agm006021619 | I4La2N | data_[La4I8N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
I 2.6600 1.4000 1.2733
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [14.0036]
_cell_length_b [14.0036]
_cell_length_c [3.5839]
_... |
agm001234261 | CCaCl3H6N3 | data_[Ca4H24C4N12Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
H 2.2000 0.2500 0.0000
C 2.5500 0.7000 0.3000
N 3.0400 0.6500 0.6300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a... |
agm004723083 | PuSc3Se8Tb4 | data_[Tb12Pu3Sc9Se24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Pu 1.2800 1.7500 0.9675
Sc 1.3600 1.6000 0.8850
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.0394]
_cell_length_b [8... |
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