Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1079966 | CrNiP | data_[Cr3Ni3P3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Ni 1.9100 1.3500 0.7400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [5.7822]
_cell_length_b [5.7822]
_cell_length_c [3.5533]
_cel... |
mp-862746 | Sr2LiTl | data_[Sr8Li4Tl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Li 0.9800 1.4500 0.9000
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.2231]
_cell_length_b [8.2231]
_cell_length_c [8.2231]
_c... |
mp-12309 | Cs2NaAl3F12 | data_[Cs6Na3Al9F36]
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
Al 1.6100 1.2500 0.6750
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.1456]
_cell_length_b [7.14... |
mp-12954 | CuBS2 | data_[Cu4B4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
B 2.0400 0.8500 0.4100
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.0121]
_cell_length_b [5.0121]
_cell_length_c [9.0596]
_cell_... |
mp-1227032 | CaMnO2 | data_[Ca1Mn1O2]
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 [P4/mmm]
_cell_length_a [3.3065]
_cell_length_b [3.3065]
_cell_length_c [4.6630]
_ce... |
mp-1229153 | Cs(ThTe3)2 | data_[Cs2Th4Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Th 1.3000 1.8000 1.0800
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [6.2753]
_cell_length_b [4.4746]
_cell_length_c [25.1618]
_... |
mp-1183260 | AcSm3 | data_[Ac2Sm6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Sm 1.1700 1.8500 1.2290
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.4569]
_cell_length_b [7.4569]
_cell_length_c [6.0923]
_cell_angle_alpha [90.0000]
_ce... |
mp-865128 | NaSr2Tl | data_[Na4Sr8Tl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Sr 0.9500 2.0000 1.3200
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.4147]
_cell_length_b [8.4147]
_cell_length_c [8.4147]
_c... |
mp-865735 | Li2YbGe | data_[Li8Yb4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Yb 1.1000 1.7500 1.0840
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5726]
_cell_length_b [6.5726]
_cell_length_c [6.5726]
_c... |
mp-1227676 | BaSrCoWO6 | data_[Ba4Sr4Co4W4O24]
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
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 [F-43m]
_cell_length_... |
mp-867229 | RbSn3 | data_[Rb2Sn6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.9569]
_cell_length_b [7.9569]
_cell_length_c [5.5037]
_cell_angle_alpha [90.0000]
_ce... |
mp-862989 | Pm2AgPt | data_[Pm8Ag4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Ag 1.9300 1.6000 1.0867
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2974]
_cell_length_b [7.2974]
_cell_length_c [7.2974]
_c... |
mp-864980 | MnAlRu2 | data_[Mn4Al4Ru8]
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
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.9860]
_cell_length_b [5.9860]
_cell_length_c [5.9860]
_c... |
mp-1103635 | U(AlFe2)4 | data_[U2Al8Fe16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
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 [8.5077]
_cell_length_b [8.5077]
_cell_length_c [4.8116]
_c... |
mp-867888 | LiTm2Pt | data_[Li4Tm8Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Tm 1.2500 1.7500 1.0950
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9383]
_cell_length_b [6.9383]
_cell_length_c [6.9383]
_c... |
mp-571458 | RbGeI3 | data_[Rb1Ge1I3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ge 2.0100 1.2500 0.7700
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.9563]
_cell_length_b [5.9563]
_cell_length_c [5.9563]
_cel... |
mp-22739 | BaFe2S3 | data_[Ba4Fe8S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Fe 1.8300 1.4000 0.8525
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [8.7532]
_cell_length_b [10.7473]
_cell_length_c [5.1651]
_ce... |
mp-1102684 | TmNi3 | data_[Tm9Ni27]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.9346]
_cell_length_b [4.9346]
_cell_length_c [24.2107]
_cell_angle_alpha [90.0000]
_cell... |
mp-1009132 | HoBiPd | data_[Ho4Bi4Pd4]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.7122]
_cell_length_b [6.7122]
_cell_length_c [6.7122]
_c... |
mp-1205681 | K2NaPdF6 | data_[K4Na2Pd2F12]
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
Pd 2.2000 1.4000 0.8462
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.9917]
_cell_length_b [5.99... |
mp-1218994 | Sn(TePd3)2 | data_[Sn2Te4Pd12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Te 2.1000 1.4000 1.2933
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.0854]
_cell_length_b [4.0854]
_cell_length_c [20.9874]
_... |
mp-1209522 | Rb2Mn3Te4 | data_[Rb8Mn12Te16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Mn 1.5500 1.4000 0.8775
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [6.6179]
_cell_length_b [12.8045]
_cell_length_c [15.2878]... |
mp-557510 | Cu3TeS3Cl | data_[Cu9Te3S9Cl3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
S 2.5800 1.0000 0.8800
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.4104]
_cell_length_b [7.4104... |
mvc-5179 | Ca2AlCoO5 | data_[Ca8Al4Co4O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Al 1.6100 1.2500 0.6750
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [15.7489]
_cell_length_b [5.255... |
mp-568703 | Pr(NiSb)2 | data_[Pr2Ni4Sb4]
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
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.3837]
_cell_length_b [4.3837]
_cell_length_c [10.6675]
... |
mp-8230 | Zn(PO3)2 | data_[Zn4P8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.9634]
_cell_length_b [9.1046]
_cell_length_c [5.0250]
_cell_... |
mp-3392 | Ba(TlHg)2 | data_[Ba4Tl8Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Tl 1.6200 1.9000 1.3325
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [11.0926]
_cell_length_b [11.0926]
_cell_length_c [5.209... |
mp-1008506 | BaGaSiH | data_[Ba1Ga1Si1H1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ga 1.8100 1.3000 0.7600
Si 1.9000 1.1000 0.5400
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.3015]
_cell_length_b [4.301... |
mp-761263 | NaV4O10 | data_[Na2V8O20]
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 [11.7812]
_cell_length_b [3.6800]
_cell_length_c [9.5733]
_cell... |
mp-1224867 | Ga2FeCo | data_[Ga2Fe1Co1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Fe 1.8300 1.4000 0.8525
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.8914]
_cell_length_b [2.8914]
_cell_length_c [5.7829]
_... |
mp-1189383 | Li2CdGeS4 | data_[Li4Cd2Ge2S8]
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
Ge 2.0100 1.2500 0.7700
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.8524]
_cell_length_b [6.9... |
mp-6124 | NaAl(SiO3)2 | data_[Na4Al4Si8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Al 1.6100 1.2500 0.6750
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 [9.5638]
_cell_length_b [8.66... |
mp-570491 | TaNi3 | data_[Ta2Ni6]
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
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.6288]
_cell_length_b [3.6288]
_cell_length_c [7.4821]
_cell_angle_alpha [90.0000]
_cell... |
mp-762643 | LiFeSiO4 | data_[Li4Fe4Si4O16]
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
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.4826]
_cell_length_b [8.25... |
mp-6992 | Eu(NiAs)2 | data_[Eu2Ni4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Ni 1.9100 1.3500 0.7400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1070]
_cell_length_b [4.1070]
_cell_length_c [10.1656]
... |
mp-1188677 | YbGe2Pt | data_[Yb8Ge16Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Ge 2.0100 1.2500 0.7700
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.3761]
_cell_length_b [8.9259]
_cell_length_c [16.2016]
_... |
mp-1490 | AlAu4 | data_[Al4Au16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [7.0546]
_cell_length_b [7.0546]
_cell_length_c [7.0546]
_cell_angle_alpha [90.0000]
_cell... |
mp-1207786 | Y3Fe2Si3 | data_[Y12Fe8Si12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0812]
_cell_length_b [10.6098]
_cell_length_c [13.6546]
_... |
mp-6867 | KCaCO3F | data_[K1Ca1C1O3F1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ca 1.0000 1.8000 1.1400
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [5.... |
mp-756166 | LaHoO3 | data_[La4Ho4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ho 1.2300 1.7500 1.0410
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.0755]
_cell_length_b [8.5760]
_cell_length_c [5.8835]
_cel... |
mp-1225137 | EuMgGa3 | data_[Eu2Mg2Ga6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Mg 1.3100 1.5000 0.8600
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.3446]
_cell_length_b [4.3446]
_cell_length_c [11.4102]
_... |
mp-1205912 | K3LuF6 | data_[K12Lu4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Lu 1.2700 1.7500 1.0010
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.2986]
_cell_length_b [9.2986]
_cell_length_c [9.2986]
_cel... |
mp-19378 | CrAgO2 | data_[Cr3Ag3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Ag 1.9300 1.6000 1.0867
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.0622]
_cell_length_b [3.0622]
_cell_length_c [18.7390]
_cel... |
mp-7936 | LiNbS2 | data_[Li2Nb2S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Nb 1.6000 1.4500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.3835]
_cell_length_b [3.3835]
_cell_length_c [12.9477]
... |
mp-1181926 | CaH2 | data_[Ca4H8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.3607]
_cell_length_b [3.7875]
_cell_length_c [6.6830]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1216308 | UCrFe | data_[U4Cr4Fe4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Cr 1.6600 1.4000 0.9400
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [4.4319]
_cell_length_b [5.1851]
_cell_length_c [7.5476]
_cell... |
mp-17813 | ZrAu4 | data_[Zr4Au16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.0836]
_cell_length_b [4.9642]
_cell_length_c [14.7626]
_cell_angle_alpha [90.0000]
_cell... |
mp-1178351 | EuVO3 | data_[Eu4V4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.5581]
_cell_length_b [7.7455]
_cell_length_c [5.4837]
_cell_... |
mp-980071 | TmLuTl2 | data_[Tm4Lu4Tl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Lu 1.2700 1.7500 1.0010
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5045]
_cell_length_b [7.5045]
_cell_length_c [7.5045]
_c... |
mp-20716 | PbSeO3 | data_[Pb2Se2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pb 2.3300 1.8000 1.1225
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.5980]
_cell_length_b [5.6149]
_cell_length_c [6.7589]
_ce... |
mp-8234 | BaTe3 | data_[Ba2Te6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P-42_1m]
_cell_length_a [8.0880]
_cell_length_b [8.0880]
_cell_length_c [4.4142]
_cell_angle_alpha [90.0000]
_cel... |
mp-8456 | SrAsPt | data_[Sr2As2Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
As 2.1800 1.1500 0.6600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.3016]
_cell_length_b [4.3016]
_cell_length_c [9.0991]... |
mp-865415 | YbTmPt2 | data_[Yb4Tm4Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Tm 1.2500 1.7500 1.0950
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8706]
_cell_length_b [6.8706]
_cell_length_c [6.8706]
_c... |
mp-1105793 | Mg2B2AsIr5 | data_[Mg4B4As2Ir10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
B 2.0400 0.8500 0.4100
As 2.1800 1.1500 0.6600
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.4883]
_cell_length_b [9.... |
mp-555458 | Ba4Fe2S4I5 | data_[Ba8Fe4S8I10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Fe 1.8300 1.4000 0.8525
S 2.5800 1.0000 0.8800
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [13.9990]
_cell_length_b [13.99... |
mp-10668 | Yb(SiAg)2 | data_[Yb2Si4Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Si 1.9000 1.1000 0.5400
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2778]
_cell_length_b [4.2778]
_cell_length_c [10.5239]
... |
mp-754787 | SmTlO3 | data_[Sm4Tl4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Tl 1.6200 1.9000 1.3325
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.0720]
_cell_length_b [8.6417]
_cell_length_c [5.7021]
_cel... |
mp-1078771 | Tb2Ni2Sn | data_[Tb4Ni4Sn2]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.2658]
_cell_length_b [7.2658]
_cell_length_c [3.7244]
_... |
mp-1225945 | Dy2MnGe4 | data_[Dy4Mn2Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Mn 1.5500 1.4000 0.8775
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.2394]
_cell_length_b [4.2691]
_cell_length_c [15.4001]
_c... |
mp-571084 | MnBr2 | data_[Mn16Br32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [11.0842]
_cell_length_b [11.0842]
_cell_length_c [11.0842]
_cell_angle_alpha [90.0000]
_... |
mp-777780 | Li3MnF6 | data_[Li6Mn2F12]
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 [P-1]
_cell_length_a [5.9068]
_cell_length_b [6.1129]
_cell_length_c [6.1721]
_cell... |
mp-1208039 | TlGa(SO4)2 | data_[Tl1Ga1S2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Ga 1.8100 1.3000 0.7600
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P321]
_cell_length_a [4.8742]
_cell_length_b [4.8742]... |
mp-1095528 | Ho(Ge2Rh3)2 | data_[Ho1Ge4Rh6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Ge 2.0100 1.2500 0.7700
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [7.2276]
_cell_length_b [7.2276]
_cell_length_c [3.8432]
_c... |
mp-1222604 | Li2TlCd | data_[Li8Tl4Cd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Tl 1.6200 1.9000 1.3325
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.8953]
_cell_length_b [6.8953]
_cell_length_c [6.8953]
_c... |
mp-25886 | CuPO4 | data_[Cu8P8O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [5.4596]
_cell_length_b [10.8510]
_cell_length_c [9.5756]
_cell... |
mp-1225172 | EuCo2SiGe | data_[Eu2Co4Si2Ge2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Co 1.8800 1.3500 0.7683
Si 1.9000 1.1000 0.5400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.9619]
_cell_length_b [3.9... |
mp-1174209 | Li4Mn3CoO8 | data_[Li4Mn3Co1O8]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.0714]
_cell_length_b [3.075... |
mp-1187217 | SrPmPt2 | data_[Sr4Pm4Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Pm 1.1300 1.8500 1.1100
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2317]
_cell_length_b [7.2317]
_cell_length_c [7.2317]
_c... |
mp-35216 | BiTe3 | data_[Bi3Te9]
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
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.3168]
_cell_length_b [4.3168]
_cell_length_c [24.8746]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-23184 | BCl3 | data_[B2Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
B 2.0400 0.8500 0.4100
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [6.4778]
_cell_length_b [6.4778]
_cell_length_c [7.6559]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1206804 | Tm3(In2Co)2 | data_[Tm3In4Co2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
In 1.7800 1.5500 0.9400
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P-6]
_cell_length_a [7.9232]
_cell_length_b [7.9232]
_cell_length_c [3.5343]
_cel... |
mp-753503 | LiMn2F7 | data_[Li4Mn8F28]
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 [Cc]
_cell_length_a [5.5005]
_cell_length_b [9.9955]
_cell_length_c [9.7253]
_cell_... |
mp-774326 | Ni3OF5 | data_[Ni12O4F20]
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 [Cm]
_cell_length_a [9.0440]
_cell_length_b [6.7050]
_cell_length_c [7.2777]
_cell_a... |
mp-22014 | Sc2SiB2Ir5 | data_[Sc4Si2B4Ir10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Si 1.9000 1.1000 0.5400
B 2.0400 0.8500 0.4100
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.2469]
_cell_length_b [9.... |
mp-11369 | ErHg2 | data_[Er1Hg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [4.9421]
_cell_length_b [4.9421]
_cell_length_c [3.4158]
_cell_angle_alpha [90.0000]
_cell... |
mp-1207934 | U4Ga12Ni | data_[U8Ga24Ni2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [8.5718]
_cell_length_b [8.5718]
_cell_length_c [8.5718]
_ce... |
mp-20914 | NdIn2Ir | data_[Nd4In8Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
In 1.7800 1.5500 0.9400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4284]
_cell_length_b [10.4140]
_cell_length_c [8.0729]
_c... |
mp-1220944 | Nb12Al3In | data_[Nb12Al3In1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Al 1.6100 1.2500 0.6750
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [5.2477]
_cell_length_b [5.2616]
_cell_length_c [10.4307]
_... |
mp-3201 | Li2GaPd | data_[Li8Ga4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ga 1.8100 1.3000 0.7600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.1082]
_cell_length_b [6.1082]
_cell_length_c [6.1082]
_c... |
mp-866189 | CeCd2 | data_[Ce1Cd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.1632]
_cell_length_b [5.1632]
_cell_length_c [3.3028]
_cell_angle_alpha [90.0000]
_cell... |
mp-1225145 | Gd2AlFe3 | data_[Gd6Al3Fe9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Al 1.6100 1.2500 0.6750
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.2611]
_cell_length_b [5.2611]
_cell_length_c [12.7624]
_c... |
mp-1284624 | Li2CoO3 | data_[Li4Co2O6]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.9113]
_cell_length_b [5.0012]
_cell_length_c [5.1953]
_cell_... |
mp-21054 | PrSnPd | data_[Pr3Sn3Pd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
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 [7.7039]
_cell_length_b [7.7039]
_cell_length_c [4.1708]
_c... |
mp-570510 | Xe | data_[Xe2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Xe 2.6000 2.16 0.6200
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.9441]
_cell_length_b [4.9441]
_cell_length_c [7.8898]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angl... |
mp-38307 | MgAl2O4 | data_[Mg4Al8O16]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.7098]
_cell_length_b [5.7845]
_cell_length_c [8.1091]
_cel... |
mp-3448 | KMgF3 | data_[K1Mg1F3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Mg 1.3100 1.5000 0.8600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.0534]
_cell_length_b [4.0534]
_cell_length_c [4.0534]
_cell_... |
mp-754672 | 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 [5.5971]
_cell_length_b [3.6547]
_cell_length_c [8.7730]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1216026 | YFe11Re | data_[Y2Fe22Re2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Fe 1.8300 1.4000 0.8525
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.6880]
_cell_length_b [8.4705]
_cell_length_c [8.5478]
_cel... |
mp-8830 | NaRhO2 | data_[Na3Rh3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Rh 2.2800 1.3500 0.7450
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.1714]
_cell_length_b [3.1714]
_cell_length_c [15.5308]
_cel... |
mp-1224502 | HfAlCo | data_[Hf8Al8Co8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Al 1.6100 1.2500 0.6750
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.0930]
_cell_length_b [5.1551]
_cell_length_c [8.7784]
_ce... |
mp-973666 | KV5Se8 | data_[K2V10Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
V 1.6300 1.3500 0.7775
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.7101]
_cell_length_b [3.7018]
_cell_length_c [8.9767]
_cel... |
mp-850196 | Li3V4O11F | data_[Li3V4O11F1]
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
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.9906]
_cell_length_b [4.9914]
_c... |
mp-1113461 | Cs2NdAgI6 | data_[Cs8Nd4Ag4I24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Nd 1.1400 1.8500 1.2765
Ag 1.9300 1.6000 1.0867
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.3423]
_cell_length_b [12... |
mp-8020 | LaTiO3 | data_[La1Ti1O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.9589]
_cell_length_b [3.9589]
_cell_length_c [3.9589]
_cel... |
mp-1105092 | Eu3P4 | data_[Eu24P32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [14.0561]
_cell_length_b [16.9336]
_cell_length_c [5.6840]
_cell_angle_alpha [90.0000]
_cell... |
mp-1080619 | TmZnSn2 | data_[Tm2Zn2Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Zn 1.6500 1.3500 0.8800
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.3407]
_cell_length_b [4.3407]
_cell_length_c [9.7921]
_... |
mp-31150 | Sr2Bi3 | data_[Sr8Bi12]
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
]
_symmetry_space_group_name_H-M [Pnna]
_cell_length_a [15.7248]
_cell_length_b [6.8958]
_cell_length_c [6.6989]
_cell_angle_alpha [90.0000]
_cell... |
mp-568559 | YbAg2 | data_[Yb4Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [4.7045]
_cell_length_b [7.1960]
_cell_length_c [8.2039]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-27393 | AlPd5I2 | data_[Al2Pd10I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Pd 2.2000 1.4000 0.8462
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0995]
_cell_length_b [4.0995]
_cell_length_c [20.7694]
_... |
mp-1183781 | DyMg2Sc | data_[Dy4Mg8Sc4]
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
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3928]
_cell_length_b [7.3928]
_cell_length_c [7.3928]
_c... |
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