Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1245527 | CdGeN2 | data_[Cd4Ge4N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Ge 2.0100 1.2500 0.7700
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [4.9622]
_cell_length_b [4.9622]
_cell_length_c [8.7797]
_cel... |
mp-555850 | LuSF | data_[Lu6S6F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
S 2.5800 1.0000 0.8800
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.9692]
_cell_length_b [3.9692]
_cell_length_c [24.7403]
_cell_... |
mp-1206028 | UPdPt4 | data_[U4Pd4Pt16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Pd 2.2000 1.4000 0.8462
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.4944]
_cell_length_b [7.4944]
_cell_length_c [7.4944]
_ce... |
mp-16246 | CdSbAu | data_[Cd4Sb4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Sb 2.0500 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.6845]
_cell_length_b [6.6845]
_cell_length_c [6.6845]
_c... |
mp-8530 | Ca(Mo3S4)2 | data_[Ca3Mo18S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Mo 2.1600 1.4500 0.7750
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.2483]
_cell_length_b [9.2483]
_cell_length_c [11.4077]
_ce... |
mp-755675 | Li4AlCr3O8 | data_[Li8Al2Cr6O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Al 1.6100 1.2500 0.6750
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2831]
_cell_length_b [5.8... |
mp-1748 | NdS | data_[Nd4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.7539]
_cell_length_b [5.7539]
_cell_length_c [5.7539]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1102445 | PrNi3 | data_[Pr9Ni27]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.0549]
_cell_length_b [5.0549]
_cell_length_c [24.8857]
_cell_angle_alpha [90.0000]
_cell... |
mp-1185499 | LuAg3 | data_[Lu4Ag12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8691]
_cell_length_b [6.8691]
_cell_length_c [6.8691]
_cell_angle_alpha [90.0000]
_cell... |
mp-1223874 | In4GeSb2Te | data_[In8Ge2Sb4Te2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Ge 2.0100 1.2500 0.7700
Sb 2.0500 1.4500 0.8300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [6.5634]
_cell_length_b [6.... |
mp-12510 | LaSnPd | data_[La3Sn3Pd3]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.7364]
_cell_length_b [7.7364]
_cell_length_c [4.2291]
_c... |
mp-776460 | Li4Fe(WO4)3 | data_[Li4Fe1W3O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Fe 1.8300 1.4000 0.8525
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1876]
_cell_length_b [5.4853]
... |
mp-556850 | BaMnF4 | data_[Ba4Mn4F16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Mn 1.5500 1.4000 0.8775
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2811]
_cell_length_b [15.4517]
_cell_length_c [6.0981]
_... |
mp-1523090 | Sr2ZrGeO6 | data_[Sr8Zr4Ge4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Zr 1.3300 1.5500 0.8600
Ge 2.0100 1.2500 0.7700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.0257]
_cell_length_b [8.0... |
mp-1112001 | K2AgAsBr6 | data_[K8Ag4As4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ag 1.9300 1.6000 1.0867
As 2.1800 1.1500 0.6600
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.9497]
_cell_length_b [10... |
mp-1755 | ZnAu3 | data_[Zn8Au24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [16.7231]
_cell_length_b [5.7997]
_cell_length_c [5.7113]
_cell_angle_alpha [90.0000]
_cell... |
mp-1221986 | MgZn4O5 | data_[Mg2Zn8O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Zn 1.6500 1.3500 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.2894]
_cell_length_b [3.2894]
_cell_length_c [26.3396]
_ce... |
mp-601842 | Fe9Co7 | data_[Fe9Co7]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.6997]
_cell_length_b [5.6997]
_cell_length_c [5.6997]
_cell_angle_alpha [90.0000]
_cell_... |
mp-753398 | WOF3 | data_[W4O4F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [5.4950]
_cell_length_b [5.5585]
_cell_length_c [9.5462]
_c... |
mp-1104783 | Mn(AlS2)2 | data_[Mn8Al16S32]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [10.1582]
_cell_length_b [10.1582]
_cell_length_c [10.1582]... |
mp-1185038 | LaSmTl2 | data_[La4Sm4Tl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sm 1.1700 1.8500 1.2290
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.8663]
_cell_length_b [7.8663]
_cell_length_c [7.8663]
_c... |
mp-1102437 | ThCo3 | data_[Th9Co27]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.9702]
_cell_length_b [4.9702]
_cell_length_c [25.4248]
_cell_angle_alpha [90.0000]
_cell... |
mp-567172 | Cs2NaYbCl6 | data_[Cs8Na4Yb4Cl24]
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
Yb 1.1000 1.7500 1.0840
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.9382]
_cell_length_b [... |
mp-757064 | TiMn5O12 | data_[Ti2Mn10O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.0768]
_cell_length_b [8.8071]
_cell_length_c [9.7149]
_ce... |
mp-1211727 | K2RbYbV2O8 | data_[K2Rb1Yb1V2O8]
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
Yb 1.1000 1.7500 1.0840
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [... |
mp-22326 | Mg4As6Rh7 | data_[Mg8As12Rh14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
As 2.1800 1.1500 0.6600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [8.1678]
_cell_length_b [8.1678]
_cell_length_c [8.1678]
... |
mp-549127 | HoBi2ClO4 | data_[Ho1Bi2Cl1O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
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/mmm]
_cell_length_a [3.8887]
_cell_length_b [3.8... |
mp-1185120 | K3Tl | data_[K6Tl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.9103]
_cell_length_b [5.9103]
_cell_length_c [11.6493]
_cell_angle_alpha [90.0000]
_cell_... |
mp-22729 | La3(GePd)4 | data_[La6Ge8Pd8]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2386]
_cell_length_b [4.4327]
_cell_length_c [25.4013]
_c... |
mp-8858 | RbCuF3 | data_[Rb4Cu4F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Cu 1.9000 1.3500 0.8200
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.1123]
_cell_length_b [6.1123]
_cell_length_c [8.0003]
_c... |
mp-758748 | Co3OF5 | data_[Co6O2F10]
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 [Pmn2_1]
_cell_length_a [9.5259]
_cell_length_b [4.7139]
_cell_length_c [4.7176]
_cel... |
mp-227 | SmCu5 | data_[Sm1Cu5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.0799]
_cell_length_b [5.0799]
_cell_length_c [4.0927]
_cell_angle_alpha [90.0000]
_cell... |
mp-8137 | NpSO | data_[Np2S2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.7954]
_cell_length_b [3.7954]
_cell_length_c [6.6971]
_cell... |
mp-1216607 | TmGePd | data_[Tm4Ge4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ge 2.0100 1.2500 0.7700
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3659]
_cell_length_b [4.3604]
_cell_length_c [6.9205]
_c... |
mp-1066921 | MnGaNi2 | data_[Mn1Ga1Ni2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7515]
_cell_length_b [3.7515]
_cell_length_c [3.4845]
_... |
mp-1216560 | Tl4Sn | data_[Tl12Sn3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.4324]
_cell_length_b [3.4324]
_cell_length_c [45.1226]
_cell_angle_alpha [90.0000]
_cell... |
mp-865499 | V2TcOs | data_[V8Tc4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Tc 1.9000 1.3500 0.7417
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0467]
_cell_length_b [6.0467]
_cell_length_c [6.0467]
_cel... |
mp-556646 | RbFeF4 | data_[Rb1Fe1F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Fe 1.8300 1.4000 0.8525
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9522]
_cell_length_b [3.9522]
_cell_length_c [6.5553]
_ce... |
mp-9821 | RbSbF6 | data_[Rb3Sb3F18]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.8681]
_cell_length_b [7.8681]
_cell_length_c [8.0032]
_cell... |
mp-1217710 | Tb2FeCo3 | data_[Tb6Fe3Co9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Fe 1.8300 1.4000 0.8525
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.1248]
_cell_length_b [5.1248]
_cell_length_c [11.9565]
_c... |
mp-1222952 | LaCe(SiPd)4 | data_[La1Ce1Si4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ce 1.1200 1.8500 1.0800
Si 1.9000 1.1000 0.5400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.2430]
_cell_length_b [4... |
mp-865279 | Tm2AgOs | data_[Tm8Ag4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ag 1.9300 1.6000 1.0867
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9124]
_cell_length_b [6.9124]
_cell_length_c [6.9124]
_c... |
mp-1104228 | K3ErV2O8 | data_[K3Er1V2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Er 1.2400 1.7500 1.0300
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.0119]
_cell_length_b [6.0119]
... |
mp-1232131 | Dy2MgS4 | data_[Dy16Mg8S32]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [11.1902]
_cell_length_b [11.1902]
_cell_length_c [11.1902]... |
mp-30041 | RbBiS2 | data_[Rb3Bi3S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Bi 2.0200 1.6000 1.0350
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.1905]
_cell_length_b [4.1905]
_cell_length_c [23.2212]
_cel... |
mp-22898 | KI | data_[K4I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1853]
_cell_length_b [7.1853]
_cell_length_c [7.1853]
_cell_angle_alpha [90.0000]
_cell_angl... |
mp-851 | ErPd | data_[Er1Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.4810]
_cell_length_b [3.4810]
_cell_length_c [3.4810]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1299496 | Mg2CoWO6 | data_[Mg4Co2W2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Co 1.8800 1.3500 0.7683
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.1811]
_cell_length_b [5.32... |
mp-985805 | AlAg2 | data_[Al4Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [8.8576]
_cell_length_b [5.0974]
_cell_length_c [4.5691]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-780671 | SrTaNO2 | data_[Sr8Ta8N8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ta 1.5000 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]
_cell_length_a [8.1820]
_cell_length_b [8.0314]
... |
mp-752701 | LiCuF3 | data_[Li4Cu4F12]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1746]
_cell_length_b [5.2833]
_cell_length_c [7.9188]
_cell... |
mp-999122 | TbFeC2 | data_[Tb2Fe2C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Fe 1.8300 1.4000 0.8525
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.6819]
_cell_length_b [4.5488]
_cell_length_c [5.9142]
_cell... |
mp-26342 | SbP2O7 | data_[Sb2P4O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [5.0577]
_cell_length_b [8.5148]
_cell_length_c [7.2122]
_cell_... |
mp-1070369 | NdSi3Ir | data_[Nd2Si6Ir2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Si 1.9000 1.1000 0.5400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.2628]
_cell_length_b [4.2628]
_cell_length_c [9.8823]
_ce... |
mp-20077 | USe2 | data_[U4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.4980]
_cell_length_b [4.1441]
_cell_length_c [9.0760]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1214750 | Ba(InPt)2 | data_[Ba2In4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
In 1.7800 1.5500 0.9400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.6245]
_cell_length_b [4.6245]
_cell_length_c [11.7607]
... |
mp-1286995 | LiVO2 | data_[Li4V4O8]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [4.0692]
_cell_length_b [4.0692]
_cell_length_c [9.0008]
_ce... |
mp-1228001 | AlV | data_[Al2V2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
V 1.6300 1.3500 0.7775
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.5671]
_cell_length_b [3.9607]
_cell_length_c [4.0479]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1103818 | Nd3Zn11 | data_[Nd6Zn22]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4584]
_cell_length_b [9.0714]
_cell_length_c [13.1337]
_cell_angle_alpha [90.0000]
_cell... |
mp-1112937 | Cs2TbAgCl6 | data_[Cs8Tb4Ag4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Tb 1.1000 1.7500 0.9815
Ag 1.9300 1.6000 1.0867
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.8886]
_cell_length_b [... |
mp-1039141 | MgAl | data_[Mg1Al1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.0147]
_cell_length_b [3.0147]
_cell_length_c [4.2324]
_cell_angle_alpha [90.0000]
_cell... |
mp-1223971 | InCuSe2 | data_[In1Cu1Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.1612]
_cell_length_b [4.1612]
_cell_length_c [5.8537]
_c... |
mp-1218073 | Ta3Mn8Si | data_[Ta3Mn8Si1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Mn 1.5500 1.4000 0.8775
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.7543]
_cell_length_b [4.7543]
_cell_length_c [7.8103]
_ce... |
mp-639659 | InCuPt2 | data_[In1Cu1Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0847]
_cell_length_b [4.0847]
_cell_length_c [3.8379]
_... |
mp-1238852 | TiCrAgS4 | data_[Ti4Cr4Ag4S16]
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
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [12.5800]
_cell_length_b [7.263... |
mp-755956 | LiNi3O4 | data_[Li4Ni12O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.8732]
_cell_length_b [8.4317]
_cell_length_c [5.8298]
_ce... |
mp-22914 | CuCl | data_[Cu4Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.4046]
_cell_length_b [5.4046]
_cell_length_c [5.4046]
_cell_angle_alpha [90.0000]
_cell_... |
mp-19201 | CaMnO3 | data_[Ca4Mn4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [Pnma]
_cell_length_a [5.3990]
_cell_length_b [7.5715]
_cell_length_c [5.3334]
_cel... |
mp-984772 | Ce3Zn | data_[Ce6Zn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.5745]
_cell_length_b [4.5745]
_cell_length_c [9.3743]
_cell_angle_alpha [90.0000]
_cell... |
mp-1078233 | H3CCl | data_[H12C4Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
H 2.2000 0.2500 0.0000
C 2.5500 0.7000 0.3000
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [6.5007]
_cell_length_b [5.1210]
_cell_length_c [7.6517]
_cel... |
mp-1215858 | Yb2NiSb2 | data_[Yb6Ni3Sb6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Ni 1.9100 1.3500 0.7400
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.5621]
_cell_length_b [4.5621]
_cell_length_c [22.1496]
_ce... |
mp-1185856 | MgCu3 | data_[Mg2Cu6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.7318]
_cell_length_b [3.7318]
_cell_length_c [7.6426]
_cell_angle_alpha [90.0000]
_cell... |
mp-30347 | ScInAg2 | data_[Sc4In4Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
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 [6.8113]
_cell_length_b [6.8113]
_cell_length_c [6.8113]
_c... |
mp-1219373 | Sc3Te4 | data_[Sc9Te12]
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 [R3m]
_cell_length_a [4.1569]
_cell_length_b [4.1569]
_cell_length_c [42.0505]
_cell_angle_alpha [90.0000]
_cell_... |
mp-9910 | K2Pd3S4 | data_[K16Pd24S32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Pd 2.2000 1.4000 0.8462
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [6.1931]
_cell_length_b [10.8777]
_cell_length_c [26.1762]
_c... |
mp-625509 | H3BrO | data_[H9Br3O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
H 2.2000 0.2500 0.0000
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.0892]
_cell_length_b [5.0892]
_cell_length_c [9.4157]
_cell_an... |
mp-763417 | Co3OF5 | data_[Co6O2F10]
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 [Pmn2_1]
_cell_length_a [3.1504]
_cell_length_b [4.6977]
_cell_length_c [14.1508]
_ce... |
mp-1205363 | Ba2NdGaSe5 | data_[Ba4Nd2Ga2Se10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Nd 1.1400 1.8500 1.2765
Ga 1.8100 1.3000 0.7600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.4383]
_cell_length_b [8.9... |
mp-7942 | NaTiS2 | data_[Na3Ti3S6]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.5764]
_cell_length_b [3.5764]
_cell_length_c [20.0676]
_cel... |
mp-12100 | Lu(SiNi)2 | data_[Lu2Si4Ni4]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9181]
_cell_length_b [3.9181]
_cell_length_c [9.4707]
_... |
mp-11192 | TaSi2 | data_[Ta3Si6]
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
]
_symmetry_space_group_name_H-M [P6_422]
_cell_length_a [4.8062]
_cell_length_b [4.8062]
_cell_length_c [6.6041]
_cell_angle_alpha [90.0000]
_cell... |
mp-1185877 | MgHg2 | data_[Mg4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3782]
_cell_length_b [3.2889]
_cell_length_c [6.8597]
_cell_angle_alpha [90.0000]
_cell_... |
mp-862654 | LaGaAu2 | data_[La4Ga4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ga 1.8100 1.3000 0.7600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1414]
_cell_length_b [7.1414]
_cell_length_c [7.1414]
_c... |
mp-753856 | HfFeO3 | data_[Hf4Fe4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.5115]
_cell_length_b [7.8753]
_cell_length_c [5.4277]
_cel... |
mp-1006282 | Nd7Co3 | data_[Nd14Co6]
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
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [9.8219]
_cell_length_b [9.8219]
_cell_length_c [6.3134]
_cell_angle_alpha [90.0000]
_cel... |
mp-1114634 | Rb3SmCl6 | data_[Rb12Sm4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Sm 1.1700 1.8500 1.2290
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.6351]
_cell_length_b [11.6351]
_cell_length_c [11.635... |
mp-9173 | TiO2 | data_[Ti4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.5565]
_cell_length_b [2.9821]
_cell_length_c [4.9690]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1222490 | Li4(CdSb)5 | data_[Li12Cd15Sb15]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cd 1.6900 1.5500 1.0900
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.7255]
_cell_length_b [4.7255]
_cell_length_c [58.3179]
... |
mp-8053 | YCo | data_[Y4Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0703]
_cell_length_b [10.2796]
_cell_length_c [3.8854]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1218405 | SrBi3Br3O4 | data_[Sr2Bi6Br6O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Bi 2.0200 1.6000 1.0350
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.0021]
_cell_length_b [4.002... |
mp-1183361 | Ba3Yb | data_[Ba6Yb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Yb 1.1000 1.7500 1.0840
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [6.1109]
_cell_length_b [6.1109]
_cell_length_c [12.7347]
_cell_angle_alpha [90.0000]
_cel... |
mp-1517014 | BaNaGdWO6 | data_[Ba4Na4Gd4W4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Na 0.9300 1.8000 1.1600
Gd 1.2000 1.8000 1.0750
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_... |
mp-1084813 | NdCuGe2 | data_[Nd4Cu4Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Cu 1.9000 1.3500 0.8200
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2773]
_cell_length_b [17.4245]
_cell_length_c [4.2493]
_c... |
mp-759863 | Na2VO3 | data_[Na8V4O12]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.3040]
_cell_length_b [9.4226]
_cell_length_c [5.6901]
_cell_... |
mp-1188169 | LiFe(GeO3)2 | data_[Li4Fe4Ge8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Fe 1.8300 1.4000 0.8525
Ge 2.0100 1.2500 0.7700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.2226]
_cell_length_b [8.7... |
mp-756062 | CeFeO3 | data_[Ce4Fe4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.7839]
_cell_length_b [7.7773]
_cell_length_c [5.4670]
_cel... |
mp-1216166 | Y10(SiGe)3 | data_[Y10Si3Ge3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Si 1.9000 1.1000 0.5400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.4928]
_cell_length_b [8.4928]
_cell_length_c [6.3955]
_ce... |
mp-865231 | LiScTl2 | data_[Li4Sc4Tl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sc 1.3600 1.6000 0.8850
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1285]
_cell_length_b [7.1285]
_cell_length_c [7.1285]
_c... |
mp-20648 | V2C | data_[V8C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pbcn]
_cell_length_a [4.5569]
_cell_length_b [5.7338]
_cell_length_c [5.0431]
_cell_angle_alpha [90.0000]
_cell_angle... |
mp-1217079 | Ti2Si6Mo | data_[Ti4Si12Mo2]
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
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [C222]
_cell_length_a [4.7126]
_cell_length_b [8.1807]
_cell_length_c [6.5120]
_c... |
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