Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-9064 | RbTe | data_[Rb6Te6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [10.1187]
_cell_length_b [10.1187]
_cell_length_c [6.6553]
_cell_angle_alpha [90.0000]
_cel... |
mp-1218039 | Ta2SiNi3 | data_[Ta4Si2Ni6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.8530]
_cell_length_b [4.8530]
_cell_length_c [7.6693]... |
mp-1080133 | SrGa3Pd | data_[Sr4Ga12Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ga 1.8100 1.3000 0.7600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.4769]
_cell_length_b [10.5686]
_cell_length_c [6.0489]
_... |
mp-1206329 | ThSiRh | data_[Th4Si4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Si 1.9000 1.1000 0.5400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [4.1601]
_cell_length_b [4.1601]
_cell_length_c [14.4580]
... |
mp-29352 | Ba2PdO3 | data_[Ba4Pd2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Pd 2.2000 1.4000 0.8462
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.9044]
_cell_length_b [4.1572]
_cell_length_c [13.4745]
_cel... |
mp-1226855 | Ce3YRh4 | data_[Ce3Y1Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Y 1.2200 1.8000 1.0400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.8163]
_cell_length_b [4.1675]
_cell_length_c [10.9713]
_cel... |
mp-759628 | Co3(OF2)2 | data_[Co6O4F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [4.6249]
_cell_length_b [4.6360]
_cell_length_c [10.3991]
_cel... |
mp-981378 | Sr3Yb | data_[Sr12Yb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Yb 1.1000 1.7500 1.0840
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.3046]
_cell_length_b [9.3046]
_cell_length_c [9.3046]
_cell_angle_alpha [90.0000]
_cell... |
mp-1219907 | PrHo | data_[Pr1Ho1]
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
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.6440]
_cell_length_b [3.6440]
_cell_length_c [5.9251]
_cell_angle_alpha [90.0000]
_cell_... |
mp-5529 | MnFe2Si | data_[Mn4Fe8Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.5925]
_cell_length_b [5.5925]
_cell_length_c [5.5925]
_c... |
mp-28872 | RbBrO3 | data_[Rb3Br3O9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.3006]
_cell_length_b [6.3006]
_cell_length_c [8.5717]
_cell_... |
mp-1078694 | ThGaRh | data_[Th3Ga3Rh3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Ga 1.8100 1.3000 0.7600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.3378]
_cell_length_b [7.3378]
_cell_length_c [4.0189]
_c... |
mvc-6039 | Zn2MoWO6 | data_[Zn2Mo1W1O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Mo 2.1600 1.4500 0.7750
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2999]
_cell_length_b [5.3357]
_... |
mp-1103949 | Cs2LiI3 | data_[Cs8Li4I12]
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
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.9820]
_cell_length_b [25.7730]
_cell_length_c [8.8691]
_... |
mp-862622 | BeRu2W | data_[Be4Ru8W4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Ru 2.2000 1.3000 0.6610
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.9924]
_cell_length_b [5.9924]
_cell_length_c [5.9924]
_cel... |
mp-1095513 | SrCdAu | data_[Sr4Cd4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cd 1.6900 1.5500 1.0900
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.9187]
_cell_length_b [4.5699]
_cell_length_c [9.0209]
_ce... |
mp-554375 | DyMn4(CuO4)3 | data_[Dy2Mn8Cu6O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Mn 1.5500 1.4000 0.8775
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [7.4082]
_cell_length_b [7.40... |
mp-13164 | Ti2Pd | data_[Ti4Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.1223]
_cell_length_b [3.1223]
_cell_length_c [9.9731]
_cell_angle_alpha [90.0000]
_cell... |
mp-5850 | ErSnPd2 | data_[Er4Sn4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Sn 1.9600 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7630]
_cell_length_b [6.7630]
_cell_length_c [6.7630]
_c... |
mp-1025526 | LuAu3 | data_[Lu2Au6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.0120]
_cell_length_b [6.0381]
_cell_length_c [5.1625]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1568159 | Li3V4FeO12 | data_[Li3V4Fe1O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
V 1.6300 1.3500 0.7775
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.8876]
_cell_length_b [6.8936]
... |
mp-1108 | TaB2 | data_[Ta1B2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [3.0967]
_cell_length_b [3.0967]
_cell_length_c [3.3426]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1183553 | CaTbPd2 | data_[Ca4Tb4Pd8]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0474]
_cell_length_b [7.0474]
_cell_length_c [7.0474]
_c... |
mp-7892 | Mn2AlB2 | data_[Mn4Al2B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Al 1.6100 1.2500 0.6750
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [2.8965]
_cell_length_b [11.0820]
_cell_length_c [2.8337]
_cel... |
mp-1209967 | Nd2Co3Ge5 | data_[Nd8Co12Ge20]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [9.8080]
_cell_length_b [11.8340]
_cell_length_c [5.8985]
... |
mp-1184155 | ErHfIr2 | data_[Er4Hf4Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Hf 1.3000 1.5500 0.8500
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6737]
_cell_length_b [6.6737]
_cell_length_c [6.6737]
_c... |
mp-1215364 | Zr4WC5 | data_[Zr12W3C15]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
W 2.3600 1.3500 0.7667
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.2908]
_cell_length_b [3.2908]
_cell_length_c [40.1197]
_cel... |
mp-1222752 | LaY | data_[La9Y9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.6753]
_cell_length_b [3.6753]
_cell_length_c [54.1491]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-18754 | DyCrO4 | data_[Dy4Cr4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [7.2142]
_cell_length_b [7.2142]
_cell_length_c [6.2903]
... |
mp-1275837 | CaCo4(CuO4)3 | data_[Ca2Co8Cu6O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Co 1.8800 1.3500 0.7683
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [7.3414]
_cell_length_b [7.34... |
mp-1183893 | Eu2AgHg | data_[Eu8Ag4Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Ag 1.9300 1.6000 1.0867
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.8006]
_cell_length_b [7.8006]
_cell_length_c [7.8006]
_c... |
mp-570466 | Li2Ca | data_[Li8Ca4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ca 1.0000 1.8000 1.1400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.1528]
_cell_length_b [6.1528]
_cell_length_c [10.0921]
_cell_angle_alpha [90.0000]
_c... |
mp-23717 | Ca2MgP2(H2O5)2 | data_[Ca2Mg1P2H4O10]
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
P 2.1900 1.0000 0.5500
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 [5... |
mp-1227601 | Ce5Ge2Pd | data_[Ce20Ge8Pd4]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [6.2300]
_cell_length_b [15.1771]
_cell_length_c [8.8213]
_... |
mp-8395 | CaTiF5 | data_[Ca4Ti4F20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ti 1.5400 1.4000 0.8517
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.1747]
_cell_length_b [6.6855]
_cell_length_c [7.7659]
_cel... |
mp-866045 | CeYMg2 | data_[Ce4Y4Mg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Y 1.2200 1.8000 1.0400
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6352]
_cell_length_b [7.6352]
_cell_length_c [7.6352]
_cel... |
mp-22801 | LuSiRh | data_[Lu4Si4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Si 1.9000 1.1000 0.5400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.7554]
_cell_length_b [4.1843]
_cell_length_c [7.3783]
_ce... |
mp-1215657 | Zn9Ga3Mo2 | data_[Zn9Ga3Mo2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ga 1.8100 1.3000 0.7600
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.4953]
_cell_length_b [5.4953]
_cell_length_c [8.8243]
_c... |
mp-1211950 | K2CrF6 | data_[K8Cr4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Cr 1.6600 1.4000 0.9400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.3332]
_cell_length_b [8.3332]
_cell_length_c [8.3332]
_cell... |
mp-865486 | VZnRu2 | data_[V4Zn4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Zn 1.6500 1.3500 0.8800
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0228]
_cell_length_b [6.0228]
_cell_length_c [6.0228]
_cel... |
mp-756544 | LiLaO2 | data_[Li4La4O8]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.7107]
_cell_length_b [6.2196]
_cell_length_c [6.9877]
_ce... |
mp-1102658 | NbSiNi | data_[Nb4Si4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.2405]
_cell_length_b [3.6934]
_cell_length_c [7.0790]
_ce... |
mp-570936 | K(SnAu)3 | data_[K2Sn6Au6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Sn 1.9600 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.7882]
_cell_length_b [7.8184]
_cell_length_c [9.4923]
_cell... |
mp-1019357 | ThAsSe | data_[Th2As2Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
As 2.1800 1.1500 0.6600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.1421]
_cell_length_b [4.1421]
_cell_length_c [8.5407]
_... |
mp-1102003 | VInO4 | data_[V2In2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
In 1.7800 1.5500 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [4.7954]
_cell_length_b [5.7196]
_cell_length_c [5.0291]
_cell_a... |
mp-760421 | Zr6BI12 | data_[Zr18B3I36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
B 2.0400 0.8500 0.4100
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [14.9282]
_cell_length_b [14.9282]
_cell_length_c [10.3412]
_ce... |
mp-3985 | Tm(MnGe)2 | data_[Tm2Mn4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Mn 1.5500 1.4000 0.8775
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9093]
_cell_length_b [3.9093]
_cell_length_c [10.8247]
... |
mp-20610 | LuGeRh | data_[Lu4Ge4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Ge 2.0100 1.2500 0.7700
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.7723]
_cell_length_b [4.2687]
_cell_length_c [7.5250]
_ce... |
mp-867822 | LiYAu2 | data_[Li4Y4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Y 1.2200 1.8000 1.0400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8916]
_cell_length_b [6.8916]
_cell_length_c [6.8916]
_cel... |
mp-696114 | CoCl2 | data_[Co1Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.5283]
_cell_length_b [3.5283]
_cell_length_c [6.2052]
_cell_angle_alpha [90.0000]
_cell_... |
mp-569823 | YInAg2 | data_[Y4In4Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
In 1.7800 1.5500 0.9400
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0223]
_cell_length_b [7.0223]
_cell_length_c [7.0223]
_cel... |
mp-3567 | NaVSe2 | data_[Na3V3Se6]
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
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.7803]
_cell_length_b [3.7803]
_cell_length_c [20.5962]
_cel... |
mvc-14713 | VZnF6 | data_[V3Zn3F18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Zn 1.6500 1.3500 0.8800
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.3207]
_cell_length_b [5.3207]
_cell_length_c [13.6086]
_cell_... |
mp-9306 | Sr2ZnN2 | data_[Sr4Zn2N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Zn 1.6500 1.3500 0.8800
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8844]
_cell_length_b [3.8844]
_cell_length_c [12.8907]
_c... |
mp-758389 | LiNb(TeO4)3 | data_[Li1Nb1Te3O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Nb 1.6000 1.4500 0.8200
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2]
_cell_length_a [5.0042]
_cell_length_b [8.5343... |
mp-1114613 | Rb2YTlCl6 | data_[Rb8Y4Tl4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Y 1.2200 1.8000 1.0400
Tl 1.6200 1.9000 1.3325
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.4367]
_cell_length_b [11... |
mp-2290 | NdRh2 | data_[Nd8Rh16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.6755]
_cell_length_b [7.6755]
_cell_length_c [7.6755]
_cell_angle_alpha [90.0000]
_cell... |
mp-1016200 | MgGeAs2 | data_[Mg4Ge4As8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ge 2.0100 1.2500 0.7700
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [6.0210]
_cell_length_b [6.0210]
_cell_length_c [11.3135]
_... |
mp-1703 | YbZn | data_[Yb1Zn1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.6118]
_cell_length_b [3.6118]
_cell_length_c [3.6118]
_cell_angle_alpha [90.0000]
_cell_... |
mp-504729 | Cs2PdF6 | data_[Cs8Pd4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Pd 2.2000 1.4000 0.8462
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.2246]
_cell_length_b [9.2246]
_cell_length_c [9.2246]
_ce... |
mp-626721 | RbHO | data_[Rb2H2O2]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [4.2677]
_cell_length_b [4.2206]
_cell_length_c [5.9916]
_cell_a... |
mp-5514 | TbCuSi | data_[Tb2Cu2Si2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Cu 1.9000 1.3500 0.8200
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.1566]
_cell_length_b [4.1566]
_cell_length_c [7.5292]... |
mp-1207110 | K2TaNbO6 | data_[K2Ta1Nb1O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ta 1.5000 1.4500 0.8200
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0515]
_cell_length_b [4.051... |
mp-23068 | NdBrO | data_[Nd2Br2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.0189]
_cell_length_b [4.0189]
_cell_length_c [8.4995]
_ce... |
mp-1112635 | Cs2KCeF6 | data_[Cs8K4Ce4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
K 0.8200 2.2000 1.5200
Ce 1.1200 1.8500 1.0800
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.3760]
_cell_length_b [9.376... |
mp-1095025 | Pr(CrB3)2 | data_[Pr2Cr4B12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Cr 1.6600 1.4000 0.9400
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.1120]
_cell_length_b [6.5933]
_cell_length_c [8.3600]
_cel... |
mp-1077329 | GdPPd | data_[Gd2P2Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
P 2.1900 1.0000 0.5500
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.2051]
_cell_length_b [4.2051]
_cell_length_c [7.5864]
_... |
mp-1219706 | PrThN2 | data_[Pr1Th1N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Th 1.3000 1.8000 1.0800
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6770]
_cell_length_b [3.6770]
_cell_length_c [5.1733]
_ce... |
mp-15684 | K2CuAs | data_[K8Cu4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Cu 1.9000 1.3500 0.8200
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [10.1136]
_cell_length_b [7.6129]
_cell_length_c [5.9314]
_cel... |
mp-1105141 | TbTl(PSe3)2 | data_[Tb2Tl2P4Se12]
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
P 2.1900 1.0000 0.5500
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [6.8825]
_cell_length_b [7.67... |
mp-1224125 | HgPdF4 | data_[Hg2Pd2F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
Pd 2.2000 1.4000 0.8462
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6374]
_cell_length_b [5.5727]
_cell_length_c [5.5743]
_ce... |
mp-1293627 | Co3O4 | data_[Co18O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.8533]
_cell_length_b [5.8533]
_cell_length_c [14.5967]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1104651 | Li(Mo3Se4)2 | data_[Li3Mo18Se24]
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
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.7184]
_cell_length_b [9.7184]
_cell_length_c [11.4821]
_... |
mp-1183516 | Ca2AgRh | data_[Ca8Ag4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ag 1.9300 1.6000 1.0867
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1365]
_cell_length_b [7.1365]
_cell_length_c [7.1365]
_c... |
mp-1226502 | CeNdS2 | data_[Ce3Nd3S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Nd 1.1400 1.8500 1.2765
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.0606]
_cell_length_b [4.0606]
_cell_length_c [20.0333]
_cel... |
mp-19113 | CoTeO3 | data_[Co4Te4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.0670]
_cell_length_b [7.5678]
_cell_length_c [5.3972]
_cel... |
mp-1518541 | SrEuNbBiO6 | data_[Sr2Eu2Nb2Bi2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Eu 1.2000 1.8500 1.1985
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 [P-1]
_cell_length_... |
mp-8993 | Sm2S2O | data_[Sm8S8O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.4721]
_cell_length_b [7.1001]
_cell_length_c [7.0229]
_cell... |
mp-1186157 | NaEuAu2 | data_[Na4Eu4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Eu 1.2000 1.8500 1.1985
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3772]
_cell_length_b [7.3772]
_cell_length_c [7.3772]
_c... |
mp-1212982 | Eu2NiPtO6 | data_[Eu4Ni2Pt2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Ni 1.9100 1.3500 0.7400
Pt 2.2800 1.3500 0.8050
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5034]
_cell_length_b [5.... |
mp-1018022 | NbInS2 | data_[Nb1In1S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
In 1.7800 1.5500 0.9400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.3360]
_cell_length_b [3.3360]
_cell_length_c [8.8365]
_cel... |
mp-31182 | ErAl2Ni | data_[Er4Al8Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Al 1.6100 1.2500 0.6750
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0538]
_cell_length_b [10.0559]
_cell_length_c [6.8523]
_c... |
mp-22262 | CoMoP | data_[Co4Mo4P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Mo 2.1600 1.4500 0.7750
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.8085]
_cell_length_b [3.7448]
_cell_length_c [6.7393]
_cell... |
mp-11755 | Lu6Sb2Mo | data_[Lu6Sb2Mo1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Sb 2.0500 1.4500 0.8300
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.9903]
_cell_length_b [7.9903]
_cell_length_c [4.3004]
_c... |
mp-1114296 | Cs2TaAuF6 | data_[Cs8Ta4Au4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ta 1.5000 1.4500 0.8200
Au 2.5400 1.3500 1.0700
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.4419]
_cell_length_b [10... |
mp-864615 | TbCdRh2 | data_[Tb4Cd4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Cd 1.6900 1.5500 1.0900
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6670]
_cell_length_b [6.6670]
_cell_length_c [6.6670]
_c... |
mp-1215671 | Zn4Si2H2O9 | data_[Zn8Si4H4O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Si 1.9000 1.1000 0.5400
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.7353]
_cell_length_b [11.0101]... |
mp-25885 | LiCuPO4 | data_[Li8Cu8P8O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cu 1.9000 1.3500 0.8200
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [5.5646]
_cell_length_b [10.933... |
mp-1105843 | Ce5Sn3 | data_[Ce10Sn6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.3898]
_cell_length_b [9.3898]
_cell_length_c [6.8117]
_cell_angle_alpha [90.0000]
_c... |
mp-1226939 | Cd2TeSe | data_[Cd2Te1Se1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Te 2.1000 1.4000 1.2933
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.5406]
_cell_length_b [4.5406]
_cell_length_c [7.4102]
_ce... |
mp-685069 | Sc2Te3 | data_[Sc8Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.0834]
_cell_length_b [7.0849]
_cell_length_c [13.9004]
_cell_angle_alpha [94.9269]
_cell_... |
mp-976426 | LiLuHg2 | data_[Li4Lu4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Lu 1.2700 1.7500 1.0010
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0224]
_cell_length_b [7.0224]
_cell_length_c [7.0224]
_c... |
mp-5450 | K2ZrF6 | data_[K8Zr4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Zr 1.3300 1.5500 0.8600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.6666]
_cell_length_b [11.6775]
_cell_length_c [7.0866]
_cell... |
mp-1079727 | LuSnPt | data_[Lu3Sn3Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Sn 1.9600 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.4902]
_cell_length_b [7.4902]
_cell_length_c [3.9317]
_c... |
mp-1221623 | MnSi2Pd3 | data_[Mn3Si6Pd9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Si 1.9000 1.1000 0.5400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.5318]
_cell_length_b [3.5051]
_cell_length_c [11.3064]
_cel... |
mp-1208181 | Tl2PtI6 | data_[Tl4Pt2I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Pt 2.2800 1.3500 0.8050
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P4/mnc]
_cell_length_a [7.8082]
_cell_length_b [7.8082]
_cell_length_c [11.6077]
_... |
mp-1232048 | Nd2MgSe4 | data_[Nd8Mg4Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Mg 1.3100 1.5000 0.8600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [8.7393]
_cell_length_b [8.7393]
_cell_length_c [9.2151]
_... |
mp-1220483 | Nb6TlS8 | data_[Nb6Tl1S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Tl 1.6200 1.9000 1.3325
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-6]
_cell_length_a [9.7499]
_cell_length_b [9.7499]
_cell_length_c [3.3956]
_cell_... |
mp-22331 | NdTiGe | data_[Nd2Ti2Ge2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ti 1.5400 1.4000 0.8517
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.1366]
_cell_length_b [4.1366]
_cell_length_c [7.9239]
_... |
mp-1215480 | Zr3NbC4 | data_[Zr9Nb3C12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Nb 1.6000 1.4500 0.8200
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.2989]
_cell_length_b [3.2989]
_cell_length_c [32.3538]
_ce... |
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