Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-570813 | Li2UI6 | data_[Li4U2I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
U 1.3800 1.7500 0.9913
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [7.4596]
_cell_length_b [7.4596]
_cell_length_c [14.5616]
_cel... |
mp-571363 | YbSbPd | data_[Yb4Sb4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Sb 2.0500 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.6336]
_cell_length_b [6.6336]
_cell_length_c [6.6336]
_c... |
mp-770855 | VCrO3 | data_[V8Cr8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.7210]
_cell_length_b [5.1329]
_cell_length_c [8.8380]
_cell_an... |
mp-772478 | Li4Co3TeO8 | data_[Li12Co9Te3O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
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 [R-3m]
_cell_length_a [6.1010]
_cell_length_b [6.1... |
mp-14628 | ZnSnO3 | data_[Zn6Sn6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Sn 1.9600 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.3790]
_cell_length_b [5.3790]
_cell_length_c [14.2947]
_cel... |
mp-11695 | Rb2Pd3S4 | data_[Rb8Pd12S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Pd 2.2000 1.4000 0.8462
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [6.3692]
_cell_length_b [10.7769]
_cell_length_c [13.3921]
_... |
mp-20111 | EuAl2 | data_[Eu8Al16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [8.1849]
_cell_length_b [8.1849]
_cell_length_c [8.1849]
_cell_angle_alpha [90.0000]
_cell... |
mp-1227033 | CaSnHg | data_[Ca1Sn1Hg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Sn 1.9600 1.4500 0.8300
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.9909]
_cell_length_b [4.9909]
_cell_length_c [3.8069]
_c... |
mp-977534 | ZrNbTc2 | data_[Zr4Nb4Tc8]
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
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4857]
_cell_length_b [6.4857]
_cell_length_c [6.4857]
_c... |
mp-973874 | LiLa2Al | data_[Li4La8Al4]
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
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6530]
_cell_length_b [7.6530]
_cell_length_c [7.6530]
_c... |
mp-18740 | V2Cd2O7 | data_[V4Cd4O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Cd 1.6900 1.5500 1.0900
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1485]
_cell_length_b [9.2376]
_cell_length_c [5.1013]
_cell_... |
mp-15120 | RbFe2Se3 | data_[Rb4Fe8Se12]
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
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [9.6849]
_cell_length_b [12.1410]
_cell_length_c [5.4538]
_... |
mp-542844 | V2O5 | data_[V8O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [12.0512]
_cell_length_b [4.7243]
_cell_length_c [5.3924]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1080080 | LaAlO3 | data_[La4Al4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Al 1.6100 1.2500 0.6750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [5.3883]
_cell_length_b [5.3883]
_cell_length_c [7.6796]
_c... |
mp-757905 | Li3Ti(PO4)2 | data_[Li6Ti2P4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ti 1.5400 1.4000 0.8517
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.3094]
_cell_length_b [5.4975... |
mvc-3192 | MgNiF5 | data_[Mg4Ni4F20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ni 1.9100 1.3500 0.7400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.4673]
_cell_length_b [6.0166]
_cell_length_c [7.4508]
_cel... |
mp-1312206 | V2FeO6 | data_[V4Fe2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [P-1]
_cell_length_a [5.9343]
_cell_length_b [6.8314]
_cell_length_c [6.9354]
_cell_a... |
mp-8136 | ThSO | data_[Th2S2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
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 [3.9800]
_cell_length_b [3.9800]
_cell_length_c [6.7873]
_cell... |
mp-1539 | ZrTe | data_[Zr1Te1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.7994]
_cell_length_b [3.7994]
_cell_length_c [3.8986]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1208711 | SmBr2 | data_[Sm4Br8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.0719]
_cell_length_b [3.9705]
_cell_length_c [15.1700]
_cell_angle_alpha [90.0000]
_cell_... |
mp-2306 | LaMg3 | data_[La4Mg12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5069]
_cell_length_b [7.5069]
_cell_length_c [7.5069]
_cell_angle_alpha [90.0000]
_cell... |
mp-30811 | Ni4W | data_[Ni8W2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [5.7370]
_cell_length_b [5.7370]
_cell_length_c [3.5525]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1105161 | TlCu2(SeO5)2 | data_[Tl2Cu4Se4O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8407]
_cell_length_b [6.28... |
mp-768941 | Sr3TeO6 | data_[Sr6Te2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.9120]
_cell_length_b [6.1320]
_cell_length_c [10.3345]
_... |
mp-1205960 | K2SnF6 | data_[K8Sn4F24]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.6255]
_cell_length_b [8.6255]
_cell_length_c [8.6255]
_cell... |
mp-562517 | CaMg(SiO3)2 | data_[Ca4Mg4Si8O24]
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
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.0717]
_cell_length_b [9.8... |
mp-1221497 | MnZnTe2 | data_[Mn1Zn1Te2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Zn 1.6500 1.3500 0.8800
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.4386]
_cell_length_b [4.4386]
_cell_length_c [6.2620]
_c... |
mp-864971 | MnSnRu2 | data_[Mn4Sn4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Sn 1.9600 1.4500 0.8300
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2423]
_cell_length_b [6.2423]
_cell_length_c [6.2423]
_c... |
mp-1225811 | Cu2S | data_[Cu4S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.6860]
_cell_length_b [6.1230]
_cell_length_c [4.0547]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-4538 | TaSnS2 | data_[Ta2Sn2S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Sn 1.9600 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.3409]
_cell_length_b [3.3409]
_cell_length_c [17.6477]
... |
mp-542595 | Ge2W | data_[Ge4W2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.3421]
_cell_length_b [3.3421]
_cell_length_c [8.2930]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-570412 | Yb(NiP)2 | data_[Yb2Ni4P4]
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
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8779]
_cell_length_b [3.8779]
_cell_length_c [9.2293]
_ce... |
mp-35906 | Y(AgCl2)3 | data_[Y3Ag9Cl18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ag 1.9300 1.6000 1.0867
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.9966]
_cell_length_b [6.9966]
_cell_length_c [18.5408]
_cel... |
mp-4563 | Ti3TlC | data_[Ti3Tl1C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Tl 1.6200 1.9000 1.3325
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.2606]
_cell_length_b [4.2606]
_cell_length_c [4.2606]
_cel... |
mp-1213800 | Ce3ZrSb5 | data_[Ce6Zr2Sb10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Zr 1.3300 1.5500 0.8600
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.4122]
_cell_length_b [9.4122]
_cell_length_c [6.3273... |
mp-20539 | ScIn3 | data_[Sc1In3]
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
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.5358]
_cell_length_b [4.5358]
_cell_length_c [4.5358]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1227310 | Ce2(InSn)3 | data_[Ce2In3Sn3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
In 1.7800 1.5500 0.9400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.6929]
_cell_length_b [4.7687]
_cell_length_c [9.3065]
_ce... |
mp-1185973 | MgSn | data_[Mg4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3518]
_cell_length_b [3.3086]
_cell_length_c [5.3945]
_cell_angle_alpha [90.0000]
_cell_... |
mp-776687 | Li5FeF8 | data_[Li10Fe2F16]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.8655]
_cell_length_b [8.4068]
_cell_length_c [6.0060]
_ce... |
mp-760382 | ThUO4 | data_[Th1U1O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
U 1.3800 1.7500 0.9913
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9120]
_cell_length_b [3.9120]
_cell_length_c [5.5418]
_cell... |
mp-29676 | Dy3AlC | data_[Dy3Al1C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Al 1.6100 1.2500 0.6750
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.8863]
_cell_length_b [4.8863]
_cell_length_c [4.8863]
_cel... |
mp-27835 | K2OsBr6 | data_[K8Os4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Os 2.2000 1.3000 0.6730
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.5313]
_cell_length_b [10.5313]
_cell_length_c [10.5313]
... |
mp-556492 | CoPtF6 | data_[Co3Pt3F18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Pt 2.2800 1.3500 0.8050
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.1923]
_cell_length_b [5.1923]
_cell_length_c [13.7712]
_cel... |
mp-15722 | Fe2B4Mo | data_[Fe4B8Mo2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
B 2.0400 0.8500 0.4100
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [2.9871]
_cell_length_b [3.0985]
_cell_length_c [12.5969]
_cel... |
mp-757072 | Li3Mn(FeO3)2 | data_[Li6Mn2Fe4O12]
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
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8461]
_cell_length_b [3.0... |
mp-752787 | VOF3 | data_[V4O4F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
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 [4.9756]
_cell_length_b [12.4539]
_cell_length_c [4.9089]
_cell... |
mp-997099 | PdAuO2 | data_[Pd2Au2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pd 2.2000 1.4000 0.8462
Au 2.5400 1.3500 1.0700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.2722]
_cell_length_b [3.2722]
_cell_length_c [12.1884]
... |
mp-1218136 | Ta4NiS8 | data_[Ta4Ni1S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Ni 1.9100 1.3500 0.7400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.3691]
_cell_length_b [3.3691]
_cell_length_c [24.4260]
_ce... |
mp-1094961 | Mg3Al | data_[Mg6Al2]
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 [I4/mmm]
_cell_length_a [4.3823]
_cell_length_b [4.3823]
_cell_length_c [8.7813]
_cell_angle_alpha [90.0000]
_cell... |
mp-1189719 | Er3Tl2Cu5S8 | data_[Er6Tl4Cu10S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Tl 1.6200 1.9000 1.3325
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.8265]
_cell_length_b [3.90... |
mp-11356 | La3Co2Sn7 | data_[La6Co4Sn14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Co 1.8800 1.3500 0.7683
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.6476]
_cell_length_b [27.7738]
_cell_length_c [4.6450]
_... |
mp-1106063 | Pr7Pt3 | data_[Pr14Pt6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [10.2474]
_cell_length_b [10.2474]
_cell_length_c [6.5446]
_cell_angle_alpha [90.0000]
_c... |
mp-763331 | LiMn2F5 | data_[Li4Mn8F20]
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 [Cmcm]
_cell_length_a [4.1205]
_cell_length_b [10.5355]
_cell_length_c [10.4918]
_c... |
mp-570205 | PrSe2 | data_[Pr4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.6126]
_cell_length_b [4.2277]
_cell_length_c [8.4876]
_cell_angle_alpha [90.0000]
_cell... |
mp-571210 | YGaI | data_[Y2Ga2I2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ga 1.8100 1.3000 0.7600
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.2090]
_cell_length_b [4.2090]
_cell_length_c [12.2428]
_cell... |
mp-862851 | PaI3 | data_[Pa2I6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [11.4345]
_cell_length_b [11.4345]
_cell_length_c [3.9969]
_cell_angle_alpha [90.0000]
_ce... |
mp-9760 | BaTb2PdO5 | data_[Ba2Tb4Pd2O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Tb 1.1000 1.7500 0.9815
Pd 2.2000 1.4000 0.8462
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.6116]
_cell_length_b [6.... |
mp-30009 | KrF2 | data_[Kr2F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Kr 3.0000 2.02 0.0000
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.3833]
_cell_length_b [4.3833]
_cell_length_c [6.6682]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1206743 | HfS | data_[Hf1S1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.3935]
_cell_length_b [3.3935]
_cell_length_c [3.4451]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-3828 | BaAl2O4 | data_[Ba2Al4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Al 1.6100 1.2500 0.6750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_322]
_cell_length_a [5.2673]
_cell_length_b [5.2673]
_cell_length_c [8.9810]
_ce... |
mp-1219305 | Si3NiMo12 | data_[Si3Ni1Mo12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.9234]
_cell_length_b [4.9246]
_cell_length_c [9.8550]
_c... |
mp-1018060 | GaCo2Ni | data_[Ga2Co4Ni2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.5888]
_cell_length_b [3.5888]
_cell_length_c [7.1242]
_... |
mp-2034 | W2C | data_[W8C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
W 2.3600 1.3500 0.7667
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pbcn]
_cell_length_a [4.7563]
_cell_length_b [6.1110]
_cell_length_c [5.2373]
_cell_angle_alpha [90.0000]
_cell_angle... |
mp-1224707 | Fe2AsP | data_[Fe4As2P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
As 2.1800 1.1500 0.6600
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.1583]
_cell_length_b [5.9124]
_cell_length_c [5.3011]
_ce... |
mp-16518 | TmAl4Ni | data_[Tm4Al16Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Al 1.6100 1.2500 0.6750
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0244]
_cell_length_b [15.2403]
_cell_length_c [6.6582]
_... |
mp-2398 | ScSn2 | data_[Sc8Sn16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [4.2821]
_cell_length_b [4.2821]
_cell_length_c [31.3143]
_cell_angle_alpha [90.0000]
_... |
mp-755284 | Cr4OF11 | data_[Cr4O1F11]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0568]
_cell_length_b [5.3266]
_cell_length_c [8.8006]
_cell_an... |
mp-8279 | Ba(CdP)2 | data_[Ba1Cd2P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Cd 1.6900 1.5500 1.0900
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.4620]
_cell_length_b [4.4620]
_cell_length_c [7.6331]
_cel... |
mp-22052 | Zn(InS2)2 | data_[Zn8In16S32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
In 1.7800 1.5500 0.9400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [10.7523]
_cell_length_b [10.7523]
_cell_length_c [10.7523]... |
mp-989190 | ScBrO | data_[Sc2Br2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
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 [3.6356]
_cell_length_b [3.6356]
_cell_length_c [8.5689]
_ce... |
mp-1516967 | NaEuZrWO6 | data_[Na4Eu4Zr4W4O24]
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
Zr 1.3300 1.5500 0.8600
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-1208276 | Ti2SiNi3 | data_[Ti4Si2Ni6]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.7984]
_cell_length_b [4.7984]
_cell_length_c [7.5028]... |
mp-1185321 | LiAl2Au | data_[Li4Al8Au4]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2549]
_cell_length_b [6.2549]
_cell_length_c [6.2549]
_c... |
mp-1180973 | MgO | data_[Mg24O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.9949]
_cell_length_b [2.9949]
_cell_length_c [59.9466]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1102431 | TbFe2 | data_[Tb4Fe8]
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
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.1944]
_cell_length_b [5.1944]
_cell_length_c [8.4096]
_cell_angle_alpha [90.0000]
_ce... |
mp-20760 | La2In | data_[La4In2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.6531]
_cell_length_b [5.6531]
_cell_length_c [7.1341]
_cell_angle_alpha [90.0000]
_ce... |
mp-1079239 | Ho6MnTe2 | data_[Ho6Mn1Te2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Mn 1.5500 1.4000 0.8775
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.2638]
_cell_length_b [8.2638]
_cell_length_c [4.0817]
_c... |
mp-1217185 | Ti3CoS6 | data_[Ti9Co3S18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Co 1.8800 1.3500 0.7683
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.8605]
_cell_length_b [5.8605]
_cell_length_c [16.8830]
_cel... |
mp-1025322 | V(CoSe2)2 | data_[V2Co4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Co 1.8800 1.3500 0.7683
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5545]
_cell_length_b [3.5012]
_cell_length_c [6.3483]
_cel... |
mp-29666 | Bi2Te2Se | data_[Bi6Te6Se3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
Te 2.1000 1.4000 1.2933
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.3465]
_cell_length_b [4.3465]
_cell_length_c [32.2689]
_c... |
mp-20565 | MnCoGe | data_[Mn2Co2Ge2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Co 1.8800 1.3500 0.7683
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.0911]
_cell_length_b [4.0911]
_cell_length_c [5.1439]... |
mp-1190406 | KHgI3 | data_[K4Hg4I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Hg 2.0000 1.5000 1.2450
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [9.2960]
_cell_length_b [8.4952]
_cell_length_c [12.5462]
_ce... |
mp-1220437 | Nd2MnFe3Si4 | data_[Nd2Mn1Fe3Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
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 [P-4m2]
_cell_length_a [3.9961]
_cell_length_b [3.... |
mp-1188432 | Dy4Ga12Pd | data_[Dy8Ga24Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ga 1.8100 1.3000 0.7600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [8.6570]
_cell_length_b [8.6570]
_cell_length_c [8.6570]
_... |
mp-1183766 | Cs2KRb | data_[Cs8K4Rb4]
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
Rb 0.8200 2.3500 1.6600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.6223]
_cell_length_b [11.6223]
_cell_length_c [11.6223]
_... |
mp-646 | PrCd | data_[Pr1Cd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.8853]
_cell_length_b [3.8853]
_cell_length_c [3.8853]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1215372 | Zr4NbAl3 | data_[Zr16Nb4Al12]
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
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.4737]
_cell_length_b [5.3316]
_cell_length_c [10.9207]... |
mp-760276 | Li5MnOF5 | data_[Li5Mn1O1F5]
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
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.2981]
_cell_length_b [3.2981]... |
mp-27971 | AcCl3 | data_[Ac2Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [7.7542]
_cell_length_b [7.7542]
_cell_length_c [4.5652]
_cell_angle_alpha [90.0000]
_cell... |
mp-761282 | DyWO4 | data_[Dy4W4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/a]
_cell_length_a [5.2754]
_cell_length_b [5.2754]
_cell_length_c [11.1142]
_ce... |
mp-977535 | ErAlAg2 | data_[Er4Al4Ag8]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8060]
_cell_length_b [6.8060]
_cell_length_c [6.8060]
_c... |
mp-1206762 | Tb2NiAs2 | data_[Tb4Ni2As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ni 1.9100 1.3500 0.7400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.1307]
_cell_length_b [4.1307]
_cell_length_c [14.2255]
... |
mp-1228380 | Ba4Pr3BiO12 | data_[Ba4Pr3Bi1O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Pr 1.1300 1.8500 1.0600
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.3411]
_cell_length_b [6.388... |
mp-1080803 | USnIr | data_[U3Sn3Ir3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Sn 1.9600 1.4500 0.8300
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.3800]
_cell_length_b [7.3800]
_cell_length_c [4.0617]
_cel... |
mp-636287 | Eu3(GaNi)4 | data_[Eu6Ga8Ni8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [I-43m]
_cell_length_a [7.4544]
_cell_length_b [7.4544]
_cell_length_c [7.4544]
_c... |
mp-996994 | FeAuO2 | data_[Fe3Au3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Au 2.5400 1.3500 1.0700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.0980]
_cell_length_b [3.0980]
_cell_length_c [18.6280]
_cel... |
mp-1103812 | V4GeS8 | data_[V8Ge2S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Ge 2.0100 1.2500 0.7700
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [6.8121]
_cell_length_b [6.9455]
_cell_length_c [9.6344]
_cell_... |
mp-31337 | InPd3 | data_[In1Pd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.0455]
_cell_length_b [4.0455]
_cell_length_c [4.0455]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1188110 | Lu(BRh)4 | data_[Lu2B8Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
B 2.0400 0.8500 0.4100
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4_2/nmc]
_cell_length_a [5.3257]
_cell_length_b [5.3257]
_cell_length_c [7.4202]
_... |
mp-625677 | Y(HO)3 | data_[Y2H6O6]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_3]
_cell_length_a [6.3817]
_cell_length_b [6.3817]
_cell_length_c [3.5180]
_cell_ang... |
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