Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm004647583 | AuI3Os2Pr6 | data_[Pr12Os4Au2I6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Os 2.2000 1.3000 0.6730
Au 2.5400 1.3500 1.0700
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4232]
_cell_length_b [12.8... |
agm006134715 | Cd5SnTl6 | data_[Tl12Cd10Sn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Cd 1.6900 1.5500 1.0900
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.7996]
_cell_length_b [9.5922]
_cell_length_c [14.3906]
... |
agm005052982 | BaLiNbSe4 | data_[Ba2Li2Nb2Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Li 0.9800 1.4500 0.9000
Nb 1.6000 1.4500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.5498]
_cell_length_b [7... |
agm005431355 | CrRh5 | data_[Cr1Rh5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.0594]
_cell_length_b [5.0594]
_cell_length_c [4.3910]
_cell_angle_alpha [90.0000]
_cell... |
agm003752380 | F4NiRb | data_[Rb4Ni4F16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ni 1.9100 1.3500 0.7400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.9823]
_cell_length_b [11.1232]
_cell_length_c [5.2637]
_ce... |
agm005882235 | AuHRb4 | data_[Rb16H4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
H 2.2000 0.2500 0.0000
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [11.0824]
_cell_length_b [8.6991]
_cell_length_c [12.2631]
_c... |
oqmd-8723178 | MoO6Pb2Ru | data_[Mo3Ru3Pb6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
Ru 2.2000 1.3000 0.6610
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.6743]
_cell_length_b [5.674... |
agm001966215 | PaSbZr2 | data_[Zr8Pa4Sb4]
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
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1368]
_cell_length_b [7.1368]
_cell_length_c [7.1368]
_c... |
agm003394769 | HoSb2Tb2 | data_[Tb8Ho4Sb8]
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
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [8.4471]
_cell_length_b [11.6101]
_cell_length_c [6.2513]
_c... |
oqmd-3893121 | CuGe2Nb | data_[Nb4Cu4Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Cu 1.9000 1.3500 0.8200
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.3968]
_cell_length_b [6.3968]
_cell_length_c [6.3968]
_c... |
agm003528763 | AuSm8Sn2 | data_[Sm16Sn4Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Sn 1.9600 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.7161]
_cell_length_b [5.1186]
_cell_length_c [6.8881]
_... |
agm004590612 | AuH2Sb2Ti7 | data_[Ti14Sb4H4Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Sb 2.0500 1.4500 0.8300
H 2.2000 0.2500 0.0000
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9621]
_cell_length_b [3.... |
oqmd-2841933 | BaPmPt | data_[Ba4Pm4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Pm 1.1300 1.8500 1.1100
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.3497]
_cell_length_b [7.3497]
_cell_length_c [7.3497]
_c... |
agm2000072098 | As2CdIn3 | data_[Cd1In3As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
In 1.7800 1.5500 0.9400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.1406]
_cell_length_b [5.8034]
_cell_length_c [21.2036]
_cel... |
agm004499364 | B3La2Rh12Sn | data_[La6Sn3B9Rh36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sn 1.9600 1.4500 0.8300
B 2.0400 0.8500 0.4100
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.5899]
_cell_length_b [7.58... |
agm002875447 | BrCr2P | data_[Cr8P4Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
P 2.1900 1.0000 0.5500
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [6.4536]
_cell_length_b [6.4536]
_cell_length_c [8.7291]
_cel... |
agm001370756 | InSmSrZn | data_[Sr4Sm4Zn4In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Sm 1.1700 1.8500 1.2290
Zn 1.6500 1.3500 0.8800
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.7450]
_cell_length_b [7.... |
agm004754766 | As2Cs2GeLi | data_[Cs8Li4Ge4As8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Li 0.9800 1.4500 0.9000
Ge 2.0100 1.2500 0.7700
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [6.6971]
_cell_length_b [16.... |
agm002794122 | BPd2V | data_[V4B4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
B 2.0400 0.8500 0.4100
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [6.8938]
_cell_length_b [6.8938]
_cell_length_c [4.6123]
_cell_... |
mp-1095798 | CuNiPd2 | data_[Cu2Ni2Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Ni 1.9100 1.3500 0.7400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.2728]
_cell_length_b [9.4264]
_cell_length_c [13.3773]
_c... |
agm003381350 | Dy4La3Tb4 | data_[La6Tb8Dy8]
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
Dy 1.2200 1.7500 1.1310
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [10.6992]
_cell_length_b [5.7671]
_cell_length_c [12.1581]
_... |
agm001235323 | CeGeHo | data_[Ce4Ho4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ho 1.2300 1.7500 1.0410
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.9621]
_cell_length_b [6.9621]
_cell_length_c [6.9621]
_c... |
agm001171677 | CaGa4Pb | data_[Ca4Ga16Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ga 1.8100 1.3000 0.7600
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.1206]
_cell_length_b [8.1206]
_cell_length_c [8.1206]
_... |
agm2000120102 | Hg9S5 | data_[Hg9S5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [9.8467]
_cell_length_b [9.8467]
_cell_length_c [21.6494]
_cell_angle_alpha [90.0000]
_cell_an... |
agm002902054 | RhTl2V | data_[Tl8V4Rh4]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [7.6384]
_cell_length_b [7.6384]
_cell_length_c [5.8456]
_cel... |
mp-1211802 | LuO2V2 | data_[Lu8V16O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [8.8500]
_cell_length_b [8.8500]
_cell_length_c [9.0390]
_... |
agm004389780 | MnReRu2 | data_[Mn2Re2Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Re 1.9000 1.3500 0.7125
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.7861]
_cell_length_b [3.7861]
_cell_length_c [7.6358]
_c... |
agm005549170 | Co15Hf2Mn2 | data_[Hf6Mn6Co45]
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
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.1962]
_cell_length_b [8.1962]
_cell_length_c [11.9975]
_... |
agm003439213 | Fe3PdRh2 | data_[Fe3Pd1Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Pd 2.2000 1.4000 0.8462
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.7229]
_cell_length_b [2.7229]
_cell_length_c [10.9406]
... |
agm002873029 | Cu2OTi | data_[Ti4Cu8O4]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [7.0433]
_cell_length_b [7.0433]
_cell_length_c [4.0540]
_cel... |
agm004953049 | Fe2MoO6Sr | data_[Sr1Fe2Mo1O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Fe 1.8300 1.4000 0.8525
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.5008]
_cell_length_b [5.5354]... |
agm004639149 | K3Se6Tb2V | data_[K6Tb4V2Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Tb 1.1000 1.7500 0.9815
V 1.6300 1.3500 0.7775
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1052]
_cell_length_b [12.314... |
agm003204126 | RhRu2 | data_[Ru8Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ru 2.2000 1.3000 0.6610
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [2.7350]
_cell_length_b [14.2270]
_cell_length_c [4.3115]
_cell_angle_alpha [90.0000]
_cell_... |
agm004014259 | BeCd2Ru | data_[Be2Cd4Ru2]
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
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.0884]
_cell_length_b [4.0884]
_cell_length_c [7.5973]
_c... |
agm002571696 | CsP3Re | data_[Cs1Re1P3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Re 1.9000 1.3500 0.7125
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.8105]
_cell_length_b [4.8105]
_cell_length_c [4.8105]
_cel... |
agm004233564 | CaTcTe2 | data_[Ca2Tc2Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Tc 1.9000 1.3500 0.7417
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.2515]
_cell_length_b [4.2515]
_cell_length_c [11.3241]
_... |
agm004869779 | Na2PbSe4Tl | data_[Na8Tl4Pb4Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Tl 1.6200 1.9000 1.3325
Pb 2.3300 1.8000 1.1225
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.4344]
_cell_length_b [8.... |
agm005594772 | AcPuZn10 | data_[Ac1Pu1Zn10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Pu 1.2800 1.7500 0.9675
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.2873]
_cell_length_b [5.4619]
_cell_length_c [9.4835]
_c... |
agm001789127 | AsCdRhSe2 | data_[Cd1As1Rh1Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
As 2.1800 1.1500 0.6600
Rh 2.2800 1.3500 0.7450
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.1316]
_cell_length_b [5... |
agm001419342 | Au2CuRuV | data_[V1Cu1Ru1Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Cu 1.9000 1.3500 0.8200
Ru 2.2000 1.3000 0.6610
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9022]
_cell_length_b [4.9... |
agm005700225 | Au4Ga7K3 | data_[K6Ga14Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ga 1.8100 1.3000 0.7600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.6080]
_cell_length_b [4.6963]
_cell_length_c [9.5439]
_ce... |
agm004958875 | Ho2LaPrSe6 | data_[La3Pr3Ho6Se18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pr 1.1300 1.8500 1.0600
Ho 1.2300 1.7500 1.0410
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.3982]
_cell_length_b [7.39... |
agm006006690 | AuH3Pd6 | data_[H3Pd6Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
H 2.2000 0.2500 0.0000
Pd 2.2000 1.4000 0.8462
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.9894]
_cell_length_b [5.0183]
_cell_length_c [5.0424]
_cell_a... |
agm004519940 | Al4Ca2MgPt3 | data_[Ca2Mg1Al4Pt3]
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
Al 1.6100 1.2500 0.6750
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.1538]
_cell_length_b [4.... |
agm001040145 | CeGaRe | data_[Ce6Ga6Re6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ga 1.8100 1.3000 0.7600
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.8918]
_cell_length_b [4.8918]
_cell_length_c [18.3824]
_c... |
agm004804607 | AcAlAu4Tb2 | data_[Ac3Tb6Al3Au12]
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
Al 1.6100 1.2500 0.6750
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.0079]
_cell_length_b [5.... |
agm005422088 | AlMn4Re | data_[Mn16Al4Re4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Al 1.6100 1.2500 0.6750
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.6079]
_cell_length_b [6.6079]
_cell_length_c [6.6079]
_... |
agm004875727 | Cl8Ga2HgSn | data_[Ga6Sn3Hg3Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Sn 1.9600 1.4500 0.8300
Hg 2.0000 1.5000 1.2450
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.2878]
_cell_length_b [7.... |
agm003688240 | Pm6SiTe12 | data_[Pm18Si3Te36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Si 1.9000 1.1000 0.5400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [13.4197]
_cell_length_b [13.4197]
_cell_length_c [12.6711]... |
agm001101044 | GdTe2Y | data_[Gd4Y4Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Y 1.2200 1.8000 1.0400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6105]
_cell_length_b [7.6105]
_cell_length_c [7.6105]
_cel... |
agm005801050 | In7Pb12Sr | data_[Sr3In21Pb36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
In 1.7800 1.5500 0.9400
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [13.6520]
_cell_length_b [13.6520]
_cell_length_c [11.3794... |
oqmd-8051226 | B4PbPm | data_[Pm1B4Pb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
B 2.0400 0.8500 0.4100
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [3.2674]
_cell_length_b [3.2674]
_cell_length_c [8.7017]
_ce... |
oqmd-3681463 | AcCaNO | data_[Ca2Ac2N2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ac 1.1000 1.9500 1.2600
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.4409]
_cell_length_b [6.740... |
agm004584577 | Cs2NaSe6U2 | data_[Cs4Na2U4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Na 0.9300 1.8000 1.1600
U 1.3800 1.7500 0.9913
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3131]
_cell_length_b [12.8... |
agm005982570 | Mg3Pt4Zr | data_[Mg6Zr2Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Zr 1.3300 1.5500 0.8600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [9.4138]
_cell_length_b [5.9345]
_cell_length_c [4.7983]
_ce... |
agm004924601 | Br6CuHoRb2 | data_[Rb4Ho2Cu2Br12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ho 1.2300 1.7500 1.0410
Cu 1.9000 1.3500 0.8200
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [7.6679]
_cell_length_b [... |
agm001364297 | GaPaReZr | data_[Zr4Pa4Ga4Re4]
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
Ga 1.8100 1.3000 0.7600
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.8616]
_cell_length_b [6.... |
agm005755979 | Pt2Se6W | data_[Pt4W2Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pt 2.2800 1.3500 0.8050
W 2.3600 1.3500 0.7667
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.2108]
_cell_length_b [3.6510]
_cell_length_c [7.8180]
_ce... |
agm001235680 | AuPaPt | data_[Pa4Pt4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Pt 2.2800 1.3500 0.8050
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.5839]
_cell_length_b [6.5839]
_cell_length_c [6.5839]
_c... |
agm004666673 | Ag2Cl6Cs3Mg | data_[Cs3Mg1Ag2Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Mg 1.3100 1.5000 0.8600
Ag 1.9300 1.6000 1.0867
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.5518]
_cell_length_b [7.... |
agm003084599 | GaGeK | data_[K6Ga6Ge6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ga 1.8100 1.3000 0.7600
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.6842]
_cell_length_b [14.2660]
_cell_length_c [7.2507]
_cel... |
agm004805017 | La2LiPmTl4 | data_[Li3La6Pm3Tl12]
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
Pm 1.1300 1.8500 1.1100
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.4125]
_cell_length_b [5.... |
agm005458192 | KRh2 | data_[K4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.7284]
_cell_length_b [2.7934]
_cell_length_c [6.5125]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-2227254 | MgMn4O8Rb | data_[Rb2Mg2Mn8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Mg 1.3100 1.5000 0.8600
Mn 1.5500 1.4000 0.6483
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.7520]
_cell_length_b [3.1... |
agm003246005 | Ca7Cr2Mn6O23Sr | data_[Sr1Ca7Mn6Cr2O23]
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
Mn 1.5500 1.4000 0.6483
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a... |
agm002619215 | AgLa3V | data_[La3V1Ag1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
V 1.6300 1.3500 0.7775
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.3996]
_cell_length_b [5.3996]
_cell_length_c [5.3996]
_cel... |
agm005889327 | Ge2La3N | data_[La6Ge4N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ge 2.0100 1.2500 0.7700
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.7605]
_cell_length_b [6.1166]
_cell_length_c [13.5361]
_cel... |
agm003989662 | Li2MoRu | data_[Li4Mo2Ru2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mo 2.1600 1.4500 0.7750
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.7007]
_cell_length_b [2.6189]
_cell_length_c [5.1993]
_cell... |
agm001538460 | AlLaSeTa2 | data_[La1Ta2Al1Se1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ta 1.5000 1.4500 0.8200
Al 1.6100 1.2500 0.6750
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.8895]
_cell_length_b [4... |
agm003448858 | Hg2Tb4Tl | data_[Tb12Tl3Hg6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Tl 1.6200 1.9000 1.3325
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.0345]
_cell_length_b [5.0345]
_cell_length_c [29.6048]
_... |
agm005631438 | MoPaSi | data_[Pa4Si4Mo4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Si 1.9000 1.1000 0.5400
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1552]
_cell_length_b [4.1552]
_cell_length_c [13.7879]
... |
agm2000046254 | Mn7O8 | data_[Mn7O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6mm]
_cell_length_a [9.8273]
_cell_length_b [9.8273]
_cell_length_c [16.4318]
_cell_angle_alpha [90.0000]
_cell_an... |
agm002165940 | Ac2IrNa | data_[Na4Ac8Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ac 1.1000 1.9500 1.2600
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7374]
_cell_length_b [7.7374]
_cell_length_c [7.7374]
_c... |
oqmd-9005065 | GeS3Zr | data_[Zr4Ge4S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ge 2.0100 1.2500 0.7700
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.4907]
_cell_length_b [3.6619]
_cell_length_c [13.8511]
_ce... |
agm005098868 | BeBiH6K | data_[K1Be1Bi1H6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Be 1.5700 1.0500 0.5900
Bi 2.0200 1.6000 1.0350
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [5.2346]
_cell_length_b [5.2346]... |
oqmd-2017077 | O2Si | data_[Si8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4_322]
_cell_length_a [4.5647]
_cell_length_b [4.5647]
_cell_length_c [14.3176]
_cell_angle_alpha [90.0000]
_cell... |
agm002748618 | BaI2V | data_[Ba4V4I8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
V 1.6300 1.3500 0.7775
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.2524]
_cell_length_b [8.2524]
_cell_length_c [8.2524]
_cell_... |
agm001790897 | BrClSe2Tc | data_[Tc1Se2Br1Cl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
Se 2.5500 1.1500 1.0133
Br 2.9600 1.1500 0.8825
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0899]
_cell_length_b [5... |
agm003742954 | AlNi4Si | data_[Al3Si3Ni12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.8147]
_cell_length_b [3.8147]
_cell_length_c [18.5614]
_... |
agm002651648 | CCa2Hf | data_[Ca8Hf4C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Hf 1.3000 1.5500 0.8500
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1441]
_cell_length_b [7.1441]
_cell_length_c [7.1441]
_cel... |
agm005484260 | OsYZr4 | data_[Y4Zr16Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Zr 1.3300 1.5500 0.8600
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.0999]
_cell_length_b [8.0999]
_cell_length_c [8.0999]
_ce... |
agm003531907 | AsLi8Pd2 | data_[Li16As2Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
As 2.1800 1.1500 0.6600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.5758]
_cell_length_b [4.1824]
_cell_length_c [6.1767]
_... |
oqmd-6098761 | Dy3Ho3OsSb2 | data_[Dy3Ho3Sb2Os1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ho 1.2300 1.7500 1.0410
Sb 2.0500 1.4500 0.8300
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.1767]
_cell_length_b [8.... |
agm2000050199 | O9Pd8 | data_[Pd8O9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pd 2.2000 1.4000 0.8462
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6]
_cell_length_a [9.8234]
_cell_length_b [9.8234]
_cell_length_c [16.8301]
_cell_angle_alpha [90.0000]
_cell_angl... |
agm004104406 | CNi | data_[Ni4C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.7846]
_cell_length_b [6.9821]
_cell_length_c [2.5171]
_cell_angle_alpha [90.0000]
_cell_ang... |
agm001056691 | BaIRh | data_[Ba2Rh2I2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Rh 2.2800 1.3500 0.7450
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0012]
_cell_length_b [4.0012]
_cell_length_c [13.3273]
_c... |
agm006119141 | Cd6KNa12 | data_[K3Na36Cd18]
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
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.7430]
_cell_length_b [11.7430]
_cell_length_c [14.9430]
_... |
agm005185064 | AgLaNdTl | data_[La1Nd1Tl1Ag1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Nd 1.1400 1.8500 1.2765
Tl 1.6200 1.9000 1.3325
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.7889]
_cell_length_b [3.7... |
agm004323388 | InPbRh | data_[In2Rh2Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Rh 2.2800 1.3500 0.7450
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.2677]
_cell_length_b [3.2677]
_cell_length_c [12.4736]
_c... |
agm001313663 | AcNpRuSb | data_[Ac4Np4Sb4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Np 1.3600 1.7500 1.0000
Sb 2.0500 1.4500 0.8300
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.2586]
_cell_length_b [7.... |
agm005747605 | La4Nd11Tb9 | data_[La8Tb18Nd22]
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
Nd 1.1400 1.8500 1.2765
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [17.1826]
_cell_length_b [25.7466]
_cell_length_c [3.7554]... |
agm005524998 | BrCKN2O4 | data_[K2C2Br2N4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
C 2.5500 0.7000 0.3000
Br 2.9600 1.1500 0.8825
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.65... |
agm004501725 | Co3GaNi12Tb2 | data_[Tb6Ga3Co9Ni36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.2693]
_cell_length_b [8.... |
agm003045995 | AuBeP | data_[Be4P4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
P 2.1900 1.0000 0.5500
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.5103]
_cell_length_b [6.7134]
_cell_length_c [8.2165]
_cell... |
agm003451475 | CuSi2Te4 | data_[Cu2Si4Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Si 1.9000 1.1000 0.5400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [8.0882]
_cell_length_b [8.0882]
_cell_length_c [6.5913]
_ce... |
agm003798745 | CrZnZr | data_[Zr4Zn4Cr4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Zn 1.6500 1.3500 0.8800
Cr 1.6600 1.4000 0.9400
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [3.5655]
_cell_length_b [4.3772]
_cell_length_c [12.5792]
_c... |
agm003024040 | SnTi2Y2 | data_[Y4Ti4Sn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ti 1.5400 1.4000 0.8517
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.3484]
_cell_length_b [7.3484]
_cell_length_c [4.4615]
_ce... |
agm003590672 | Al12LaZn4 | data_[La2Al24Zn8]
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
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [8.8235]
_cell_length_b [8.8235]
_cell_length_c [8.8235]
_c... |
oqmd-9160275 | C3Sc4Sn3Y2 | data_[Y8Sc16Sn12C12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Sc 1.3600 1.6000 0.8850
Sn 1.9600 1.4500 0.8300
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.4243]
_cell_length_b [6.0... |
agm005875292 | MnRh4W | data_[Mn2Rh8W2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Rh 2.2800 1.3500 0.7450
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.7790]
_cell_length_b [3.7589]
_cell_length_c [5.4495]
_cell... |
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