Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1539190 | Cs2Hf(WO4)3 | data_[Cs6Hf3W9O36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Hf 1.3000 1.5500 0.8500
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.4384]
_cell_length_b [7.4384... |
mp-1206157 | Cu7Si2 | data_[Cu7Si2]
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
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.0848]
_cell_length_b [4.0848]
_cell_length_c [7.5874]
_cell_angle_alpha [90.0000]
_cell_... |
mp-10662 | K2CO3 | data_[K4C2O6]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.7847]
_cell_length_b [5.7847]
_cell_length_c [7.1511]
_cell... |
mp-1068446 | ScAu4 | data_[Sc2Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [6.6655]
_cell_length_b [6.6655]
_cell_length_c [4.1001]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-31485 | Ga5Pd13 | data_[Ga10Pd26]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [24.6142]
_cell_length_b [4.1021]
_cell_length_c [5.5436]
_cell_angle_alpha [90.0000]
_cel... |
mp-1209338 | Rb2Sr(PO3)4 | data_[Rb4Sr2P8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Sr 0.9500 2.0000 1.3200
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [7.6770]
_cell_length_b [7.6770]... |
mp-1226392 | Cr2Cu(SeS)2 | data_[Cr16Cu8Se16S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [10.1428]
_cell_length_b [... |
mp-1078796 | EuAs3 | data_[Eu4As12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.4172]
_cell_length_b [7.6389]
_cell_length_c [5.7601]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1186137 | NaHg3 | data_[Na1Hg3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.7512]
_cell_length_b [4.7512]
_cell_length_c [4.7512]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1105654 | TiSiOs | data_[Ti12Si12Os12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Si 1.9000 1.1000 0.5400
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [7.1091]
_cell_length_b [11.2391]
_cell_length_c [6.5059]... |
mp-28891 | Li7TaO6 | data_[Li21Ta3O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ta 1.5000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.6023]
_cell_length_b [5.6023]
_cell_length_c [14.7489]
_cel... |
mvc-5892 | Zn(AgO2)2 | data_[Zn4Ag8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ag 1.9300 1.6000 1.0867
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [5.8855]
_cell_length_b [5.8855]
_cell_length_c [11.3977]... |
mp-1208666 | SrICl | data_[Sr4I4Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
I 2.6600 1.4000 1.2733
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.4484]
_cell_length_b [4.5390]
_cell_length_c [10.3418]
_cel... |
mp-1078578 | NaCd4As3 | data_[Na3Cd12As9]
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
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.5447]
_cell_length_b [4.5447]
_cell_length_c [34.1504]
_... |
mp-973170 | ScCdAu2 | data_[Sc4Cd4Au8]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7766]
_cell_length_b [6.7766]
_cell_length_c [6.7766]
_c... |
mp-1025082 | LaSbPd | data_[La2Sb2Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sb 2.0500 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.6498]
_cell_length_b [4.6498]
_cell_length_c [8.1918]
_... |
mp-20660 | NpAl2 | data_[Np8Al16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [7.7485]
_cell_length_b [7.7485]
_cell_length_c [7.7485]
_cell_angle_alpha [90.0000]
_cell... |
mp-1221048 | NaLiV2O6 | data_[Na4Li4V8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Li 0.9800 1.4500 0.9000
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.7453]
_cell_length_b [9.941... |
mp-1102101 | ScCoSn | data_[Sc4Co4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Co 1.8800 1.3500 0.7683
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.8902]
_cell_length_b [4.4425]
_cell_length_c [7.1553]
_ce... |
mp-1225576 | ErB4(IrRh)2 | data_[Er2B8Ir4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
B 2.0400 0.8500 0.4100
Ir 2.2000 1.3500 0.7650
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4_2mc]
_cell_length_a [5.3737]
_cell_length_b [5.3... |
mp-626088 | FeHO2 | data_[Fe4H4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.1076]
_cell_length_b [12.5602]
_cell_length_c [3.9340]
_cel... |
mp-1224013 | Ho3Mg | data_[Ho3Mg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6090]
_cell_length_b [3.6090]
_cell_length_c [8.9680]
_cell_angle_alpha [90.0000]
_cell... |
mp-1019558 | BaSr2Mg(SiO4)2 | data_[Ba1Sr2Mg1Si2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sr 0.9500 2.0000 1.3200
Mg 1.3100 1.5000 0.8600
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length... |
mp-754279 | Li4Cr3NiO8 | data_[Li8Cr6Ni2O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cr 1.6600 1.4000 0.9400
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1745]
_cell_length_b [5.9... |
mp-998197 | RbCaCl3 | data_[Rb2Ca2Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ca 1.0000 1.8000 1.1400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.6700]
_cell_length_b [7.6769]
_cell_length_c [5.4243]
_cell... |
mp-867835 | BeSiRu2 | data_[Be4Si4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Si 1.9000 1.1000 0.5400
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.7343]
_cell_length_b [5.7343]
_cell_length_c [5.7343]
_c... |
mp-865750 | Li2TeO3 | data_[Li8Te4O12]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.1512]
_cell_length_b [9.6751]
_cell_length_c [7.4772]
_cel... |
mp-985540 | Ac3La | data_[Ac6La2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
La 1.1000 1.9500 1.1720
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.9162]
_cell_length_b [7.9162]
_cell_length_c [6.3922]
_cell_angle_alpha [90.0000]
_ce... |
mp-22026 | Ce(NiSn)2 | data_[Ce2Ni4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.4302]
_cell_length_b [4.4302]
_cell_length_c [10.4053]
... |
mp-11226 | Tb3Al | data_[Tb3Al1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.7753]
_cell_length_b [4.7753]
_cell_length_c [4.7753]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1184286 | Eu2TlSn | data_[Eu8Tl4Sn4]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.9543]
_cell_length_b [7.9543]
_cell_length_c [7.9543]
_c... |
mp-12904 | HoAgTe2 | data_[Ho2Ag2Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Ag 1.9300 1.6000 1.0867
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P-42_1m]
_cell_length_a [7.0980]
_cell_length_b [7.0980]
_cell_length_c [4.7218]
... |
mp-1183565 | CaYbGa2 | data_[Ca4Yb4Ga8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Yb 1.1000 1.7500 1.0840
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3036]
_cell_length_b [7.3036]
_cell_length_c [7.3036]
_c... |
mp-1102115 | CoSiNi | data_[Co4Si4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [4.9986]
_cell_length_b [3.6964]
_cell_length_c [7.0606]
_ce... |
mp-19856 | SnPt | data_[Sn2Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.1847]
_cell_length_b [4.1847]
_cell_length_c [5.5177]
_cell_angle_alpha [90.0000]
_ce... |
mp-1084805 | YH3 | data_[Y2H6]
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
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.6784]
_cell_length_b [3.6784]
_cell_length_c [6.6190]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1029075 | Te3MoWSe | data_[Te6Mo2W2Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
Mo 2.1600 1.4500 0.7750
W 2.3600 1.3500 0.7667
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.5004]
_cell_length_b [3.500... |
mp-9587 | TaMoN | data_[Ta2Mo2N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Mo 2.1600 1.4500 0.7750
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.0947]
_cell_length_b [3.0947]
_cell_length_c [7.8660]
_ce... |
mp-1101160 | Zr3N2O3 | data_[Zr12N8O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.7005]
_cell_length_b [4.0942]
_cell_length_c [10.7485]
_cell... |
mp-1221610 | MnGeTe2 | data_[Mn1Ge1Te2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Ge 2.0100 1.2500 0.7700
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1675]
_cell_length_b [4.1675]
_cell_length_c [5.9495]
_... |
mp-755349 | Cu3OF5 | data_[Cu6O2F10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.6051]
_cell_length_b [5.9659]
_cell_length_c [7.5553]
_cell_a... |
mp-1025172 | Ho(TiGa2)2 | data_[Ho2Ti4Ga8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Ti 1.5400 1.4000 0.8517
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [6.7653]
_cell_length_b [6.7653]
_cell_length_c [5.4559]
_... |
mp-866100 | Er2CuOs | data_[Er8Cu4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Cu 1.9000 1.3500 0.8200
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7937]
_cell_length_b [6.7937]
_cell_length_c [6.7937]
_c... |
mp-13312 | ScTlS2 | data_[Sc2Tl2S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Tl 1.6200 1.9000 1.3325
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.8043]
_cell_length_b [3.8043]
_cell_length_c [15.0151]
... |
mp-27345 | Na3BiO4 | data_[Na6Bi2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [5.9598]
_cell_length_b [6.8032]
_cell_length_c [5.7584]
_cell... |
mp-2349 | YCd3 | data_[Y4Cd12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.1629]
_cell_length_b [10.9703]
_cell_length_c [4.9034]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-23205 | MgI2 | data_[Mg1I2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.2095]
_cell_length_b [4.2095]
_cell_length_c [7.7313]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-744 | HoP | data_[Ho4P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.6403]
_cell_length_b [5.6403]
_cell_length_c [5.6403]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1220599 | NbVNi | data_[Nb8V8Ni8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
V 1.6300 1.3500 0.7775
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.0923]
_cell_length_b [4.8989]
_cell_length_c [8.4877]
_cell... |
mp-13452 | BePd2 | data_[Be2Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [2.7736]
_cell_length_b [2.7736]
_cell_length_c [9.9292]
_cell_angle_alpha [90.0000]
_cell... |
mp-1216820 | U2CuSi3 | data_[U2Cu1Si3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Cu 1.9000 1.3500 0.8200
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.8963]
_cell_length_b [4.0195]
_cell_length_c [6.9400]
_cell... |
mp-1095120 | PrPdPb | data_[Pr3Pd3Pb3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Pd 2.2000 1.4000 0.8462
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.9079]
_cell_length_b [7.9079]
_cell_length_c [4.1560]
_c... |
mp-1176654 | LiMnF4 | data_[Li2Mn2F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mn 1.5500 1.4000 0.8775
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [6.4178]
_cell_length_b [6.7064]
_cell_length_c [3.1715]
_cell... |
mp-754495 | NbNO | data_[Nb8N8O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7741]
_cell_length_b [4.0087]
_cell_length_c [6.8371]
_cell_... |
mp-1111630 | K2NaNdI6 | data_[K8Na4Nd4I24]
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
Nd 1.1400 1.8500 1.2765
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.4500]
_cell_length_b [12.4... |
mp-1189387 | PuB2Ru | data_[Pu4B8Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
B 2.0400 0.8500 0.4100
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.7563]
_cell_length_b [5.3850]
_cell_length_c [6.4305]
_cell... |
mp-1218404 | Sr3CaAl8 | data_[Sr9Ca3Al24]
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
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.8554]
_cell_length_b [5.8554]
_cell_length_c [28.1317]
_c... |
mp-1516607 | BaSrYBiO6 | data_[Ba4Sr4Y4Bi4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sr 0.9500 2.0000 1.3200
Y 1.2200 1.8000 1.0400
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_... |
mp-555464 | KRb2NiF6 | data_[K4Rb8Ni4F24]
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
Ni 1.9100 1.3500 0.7400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.8976]
_cell_length_b [8.897... |
mp-1238900 | TiCrCuS4 | data_[Ti2Cr2Cu2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Cr 1.6600 1.4000 0.9400
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2]
_cell_length_a [5.8655]
_cell_length_b [6.8640]... |
mp-753209 | LiAgF4 | data_[Li1Ag1F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ag 1.9300 1.6000 1.0867
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.6385]
_cell_length_b [3.4736]
_cell_length_c [4.6611]
_cell... |
mp-1207069 | Ba2PuZnO6 | data_[Ba8Pu4Zn4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Pu 1.2800 1.7500 0.9675
Zn 1.6500 1.3500 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.4486]
_cell_length_b [8.4... |
mp-38683 | Co2NiO4 | data_[Co8Ni4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.8148]
_cell_length_b [5.8225]
_cell_length_c [8.1534]
_cel... |
mp-20933 | Ce(CoGe)2 | data_[Ce2Co4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Co 1.8800 1.3500 0.7683
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0860]
_cell_length_b [4.0860]
_cell_length_c [9.9193]
_... |
mp-1104202 | Yb(Al2Fe)4 | data_[Yb2Al16Fe8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Al 1.6100 1.2500 0.6750
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.6719]
_cell_length_b [8.6719]
_cell_length_c [5.0307]
... |
mp-30614 | ErZn12 | data_[Er2Zn24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.8918]
_cell_length_b [8.8918]
_cell_length_c [5.1850]
_cell_angle_alpha [90.0000]
_cel... |
mp-1208235 | Ti4(NbAl3)3 | data_[Ti4Nb3Al9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Nb 1.6000 1.4500 0.8200
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.6777]
_cell_length_b [5.6777]
_cell_length_c [8.1663]
_... |
mp-867349 | Dy2MgTl | data_[Dy8Mg4Tl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Mg 1.3100 1.5000 0.8600
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5537]
_cell_length_b [7.5537]
_cell_length_c [7.5537]
_c... |
mp-1187705 | Y2IrAu | data_[Y8Ir4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ir 2.2000 1.3500 0.7650
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0475]
_cell_length_b [7.0475]
_cell_length_c [7.0475]
_cel... |
mp-983410 | Ho2CuPd | data_[Ho8Cu4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Cu 1.9000 1.3500 0.8200
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9316]
_cell_length_b [6.9316]
_cell_length_c [6.9316]
_c... |
mp-866117 | HfZnAu2 | data_[Hf4Zn4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Zn 1.6500 1.3500 0.8800
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5979]
_cell_length_b [6.5979]
_cell_length_c [6.5979]
_c... |
mp-1186412 | PaTc2Ge | data_[Pa4Tc8Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Tc 1.9000 1.3500 0.7417
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5349]
_cell_length_b [6.5349]
_cell_length_c [6.5349]
_c... |
mp-571334 | PrCo3 | data_[Pr9Co27]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.0952]
_cell_length_b [5.0952]
_cell_length_c [25.0887]
_cell_angle_alpha [90.0000]
_cell... |
mp-1102089 | HoRu2 | data_[Ho4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.2645]
_cell_length_b [5.2645]
_cell_length_c [8.9068]
_cell_angle_alpha [90.0000]
_ce... |
mp-1216868 | TiFeSbO6 | data_[Ti2Fe2Sb2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Fe 1.8300 1.4000 0.8525
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [4.7181]
_cell_length_b [4.... |
mp-1222510 | Li3MnCoNiO6 | data_[Li6Mn2Co2Ni2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mn 1.5500 1.4000 0.8775
Co 1.8800 1.3500 0.7683
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a... |
mp-22939 | BiClO | data_[Bi2Cl2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.9139]
_cell_length_b [3.9139]
_cell_length_c [7.8278]
_ce... |
mp-11123 | CsYHgSe3 | data_[Cs4Y4Hg4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Y 1.2200 1.8000 1.0400
Hg 2.0000 1.5000 1.2450
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3083]
_cell_length_b [16.4... |
mp-29474 | Na2Ti3Cl8 | data_[Na6Ti9Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ti 1.5400 1.4000 0.8517
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.2967]
_cell_length_b [7.2967]
_cell_length_c [20.1482]
_... |
mp-1038832 | Mg3Cd | data_[Mg12Cd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0749]
_cell_length_b [7.0749]
_cell_length_c [7.0749]
_cell_angle_alpha [90.0000]
_cell... |
mp-31515 | Sr2CoReO6 | data_[Sr4Co2Re2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Co 1.8800 1.3500 0.7683
Re 1.9000 1.3500 0.7125
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [5.6297]
_cell_length_b [5.62... |
mp-556583 | CsSb2F7 | data_[Cs4Sb8F28]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Sb 2.0500 1.4500 0.8300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [19.8500]
_cell_length_b [6.9313]
_cell_length_c [5.7410]
_ce... |
mp-1120720 | Li3InBr6 | data_[Li6In2Br12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
In 1.7800 1.5500 0.9400
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [6.9382]
_cell_length_b [6.9382]
_cell_length_c [12.7152]
... |
mvc-6041 | MgTi2O4 | data_[Mg4Ti8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [2.9101]
_cell_length_b [9.6463]
_cell_length_c [10.0138]
_ce... |
mp-865349 | Li2GdTl | data_[Li8Gd4Tl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Gd 1.2000 1.8000 1.0750
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9595]
_cell_length_b [6.9595]
_cell_length_c [6.9595]
_c... |
mp-1225023 | Fe3Mo5N8 | data_[Fe6Mo10N16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
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 [22.3822]
_cell_length_b [2.8635]
_cell_length_c [4.9689]
_c... |
mp-1206092 | Cs3DyCl6 | data_[Cs12Dy4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Dy 1.2200 1.7500 1.1310
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.8687]
_cell_length_b [11.8687]
_cell_length_c [11.868... |
mp-505626 | Cr12P7 | data_[Cr12P7]
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
]
_symmetry_space_group_name_H-M [P-6]
_cell_length_a [9.0182]
_cell_length_b [9.0182]
_cell_length_c [3.2151]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-3909 | ZrAlCo2 | data_[Zr4Al4Co8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Al 1.6100 1.2500 0.6750
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0820]
_cell_length_b [6.0820]
_cell_length_c [6.0820]
_c... |
mp-1227049 | CaMgS2 | data_[Ca3Mg3S6]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.8759]
_cell_length_b [3.8759]
_cell_length_c [18.9207]
_cel... |
mp-763215 | Ni3OF5 | data_[Ni6O2F10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.6897]
_cell_length_b [5.6229]
_cell_length_c [7.7621]
_cell_an... |
mp-1218074 | TaAlCu | data_[Ta8Al8Cu8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [7.9202]
_cell_length_b [5.0653]
_cell_length_c [8.7632]
_ce... |
mp-10487 | RbSb | data_[Rb8Sb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.5417]
_cell_length_b [7.3204]
_cell_length_c [14.0541]
_cell_angle_alpha [90.0000]
_cel... |
mp-978950 | Sm2ZnIn | data_[Sm8Zn4In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Zn 1.6500 1.3500 0.8800
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5278]
_cell_length_b [7.5278]
_cell_length_c [7.5278]
_c... |
mp-11879 | BaNiSn3 | data_[Ba2Ni2Sn6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.8712]
_cell_length_b [4.8712]
_cell_length_c [11.0618]
_c... |
mp-1218332 | SrCaMnO4 | data_[Sr2Ca2Mn2O8]
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 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.8016]
_cell_length_b [3.801... |
mp-1173626 | Nd2CO5 | data_[Nd8C4O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8847]
_cell_length_b [6.5817]
_cell_length_c [15.7008]
_cell... |
mp-7444 | RbSb | data_[Rb8Sb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [7.3631]
_cell_length_b [7.5097]
_cell_length_c [13.0372]
_cell_angle_alpha [90.0000]
... |
mp-1220737 | Na5CuCO5 | data_[Na5Cu1C1O5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Cu 1.9000 1.3500 0.8200
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.5304]
_cell_length_b [8.4079]... |
mp-38070 | Rb(TeO3)2 | data_[Rb8Te16O48]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [10.5159]
_cell_length_b [10.5159]
_cell_length_c [10.5159]... |
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