Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-20879 | CaHgPb | data_[Ca2Hg2Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Hg 2.0000 1.5000 1.2450
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.1518]
_cell_length_b [5.1518]
_cell_length_c [7.5587]... |
mp-697180 | Mg3In | data_[Mg36In12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.3077]
_cell_length_b [6.3077]
_cell_length_c [31.7010]
_cell_angle_alpha [90.0000]
_cel... |
mp-1106369 | Ce2Ge5Rh3 | data_[Ce8Ge20Rh12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ge 2.0100 1.2500 0.7700
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [10.1498]
_cell_length_b [12.0132]
_cell_length_c [6.0936]... |
mp-675310 | Na3(VSe2)5 | data_[Na3V5Se10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
V 1.6300 1.3500 0.7775
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.2004]
_cell_length_b [8.4691]
_cell_length_c [9.0853]
_cell_... |
mp-989552 | LaMoN3 | data_[La6Mo6N18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Mo 2.1600 1.4500 0.7750
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R3c]
_cell_length_a [5.7276]
_cell_length_b [5.7276]
_cell_length_c [14.0786]
_cel... |
mp-559528 | BaTbMn2O6 | data_[Ba2Tb2Mn4O12]
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
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [5.5360]
_cell_length_b [7.82... |
mp-1026002 | Te2Mo3(SeS)2 | data_[Te2Mo3Se2S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
Mo 2.1600 1.4500 0.7750
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.3505]
_cell_length_b [3.350... |
mp-1218850 | Sr2CdAu3 | data_[Sr4Cd2Au6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cd 1.6900 1.5500 1.0900
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.2833]
_cell_length_b [4.8828]
_cell_length_c [7.6947]
_cel... |
mp-1105696 | Pr(ErS2)3 | data_[Pr2Er6S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Er 1.2400 1.7500 1.0300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.0565]
_cell_length_b [3.9793]
_cell_length_c [11.3012]
... |
mp-1105958 | Yb3Co | data_[Yb12Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.3764]
_cell_length_b [9.3899]
_cell_length_c [6.3092]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1183955 | CsHS | data_[Cs8H8S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
H 2.2000 0.2500 0.0000
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [8.4297]
_cell_length_b [8.4297]
_cell_length_c [9.2760]
_cell_a... |
mp-13986 | Li2PtF6 | data_[Li4Pt2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Pt 2.2800 1.3500 0.8050
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [4.7355]
_cell_length_b [4.7355]
_cell_length_c [9.3261]
... |
mp-11254 | NdAu | data_[Nd1Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.7240]
_cell_length_b [3.7240]
_cell_length_c [3.7240]
_cell_angle_alpha [90.0000]
_cell_... |
mp-999471 | NaNdSe2 | data_[Na3Nd3Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Nd 1.1400 1.8500 1.2765
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.2803]
_cell_length_b [4.2803]
_cell_length_c [21.1695]
_c... |
mp-867273 | Be2CuIr | data_[Be8Cu4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Cu 1.9000 1.3500 0.8200
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.5014]
_cell_length_b [5.5014]
_cell_length_c [5.5014]
_c... |
mp-12761 | BeAu2 | data_[Be2Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [2.9395]
_cell_length_b [2.9395]
_cell_length_c [10.2290]
_cell_angle_alpha [90.0000]
_cel... |
mp-5304 | LaAlO3 | data_[La1Al1O3]
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 [Pm-3m]
_cell_length_a [3.8113]
_cell_length_b [3.8113]
_cell_length_c [3.8113]
_cel... |
mp-20333 | PrMnSi | data_[Pr2Mn2Si2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Mn 1.5500 1.4000 0.8775
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.9845]
_cell_length_b [3.9845]
_cell_length_c [7.6473]
_... |
mp-1207705 | TmRhO3 | data_[Tm4Rh4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Rh 2.2800 1.3500 0.7450
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.7620]
_cell_length_b [7.5935]
_cell_length_c [5.2432]
_cel... |
mp-8123 | TmCuSi | data_[Tm2Cu2Si2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Cu 1.9000 1.3500 0.8200
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.1293]
_cell_length_b [4.1293]
_cell_length_c [7.2759]... |
mp-20835 | CeSnIr | data_[Ce3Sn3Ir3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Sn 1.9600 1.4500 0.8300
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.4975]
_cell_length_b [7.4975]
_cell_length_c [4.0844]
_c... |
mp-1222331 | LiY(MoO4)2 | data_[Li2Y2Mo4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Y 1.2200 1.8000 1.0400
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.2042]
_cell_length_b [5.2042]... |
mp-27689 | PH4Br | data_[P2H8Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
P 2.1900 1.0000 0.5500
H 2.2000 0.2500 0.0000
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [6.0913]
_cell_length_b [6.0913]
_cell_length_c [4.3692]
_cell... |
mp-1002568 | MgMn2O4 | data_[Mg1Mn2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.2142]
_cell_length_b [2.9785]
_cell_length_c [5.4316]
_cell... |
mp-1114645 | Rb2TlHgBr6 | data_[Rb8Tl4Hg4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Tl 1.6200 1.9000 1.3325
Hg 2.0000 1.5000 1.2450
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.4720]
_cell_length_b [... |
mp-1223899 | HoAlNi4 | data_[Ho2Al2Ni8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Al 1.6100 1.2500 0.6750
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.0015]
_cell_length_b [8.3219]
_cell_length_c [4.0399]
_ce... |
mp-1186420 | PaFe3 | data_[Pa2Fe6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.3849]
_cell_length_b [5.3849]
_cell_length_c [4.7010]
_cell_angle_alpha [90.0000]
_ce... |
mp-1276209 | Na(CoO2)3 | data_[Na4Co12O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.5262]
_cell_length_b [8.5326]
_cell_length_c [4.9393]
_c... |
mp-2207 | NbSe2 | data_[Nb2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.4894]
_cell_length_b [3.4894]
_cell_length_c [13.7570]
_cell_angle_alpha [90.0000]
_c... |
mp-25407 | LiFePO4F | data_[Li2Fe2P2O8F2]
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
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.... |
mp-1206300 | Ce3(GeRh)4 | data_[Ce6Ge8Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ge 2.0100 1.2500 0.7700
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.9988]
_cell_length_b [4.2929]
_cell_length_c [25.2662]
_c... |
mp-22010 | Ta2CuO6 | data_[Ta4Cu2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [4.7946]
_cell_length_b [4.7946]
_cell_length_c [9.1649]
... |
mp-28408 | KTcCl3 | data_[K8Tc8Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Tc 1.9000 1.3500 0.7417
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [8.5443]
_cell_length_b [14.3020]
_cell_length_c [9.0602]
_cell... |
mp-1215773 | Zn3In2O6 | data_[Zn9In6O18]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.4567]
_cell_length_b [3.4567]
_cell_length_c [42.4880]
_cel... |
mp-1078614 | LaCdPd | data_[La3Cd3Pd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Cd 1.6900 1.5500 1.0900
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.8432]
_cell_length_b [7.8432]
_cell_length_c [4.1339]
_c... |
mp-1228165 | Al5Se8 | data_[Al20Se32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [10.5318]
_cell_length_b [10.5318]
_cell_length_c [10.5318]
_cell_angle_alpha [90.0000]
_... |
mp-862994 | Pm2CdGe | data_[Pm8Cd4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Cd 1.6900 1.5500 1.0900
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4671]
_cell_length_b [7.4671]
_cell_length_c [7.4671]
_c... |
mp-998711 | TlGeF3 | data_[Tl2Ge2F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Ge 2.0100 1.2500 0.7700
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.8720]
_cell_length_b [6.0575]
_cell_length_c [7.5374]
_ce... |
mp-569424 | Cr2B | data_[Cr32B16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [4.2182]
_cell_length_b [7.3419]
_cell_length_c [14.5997]
_cell_angle_alpha [90.0000]
_cell_... |
mp-256 | LaN | data_[La4N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.3091]
_cell_length_b [5.3091]
_cell_length_c [5.3091]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-22791 | TlInTe2 | data_[Tl4In4Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
In 1.7800 1.5500 0.9400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.6985]
_cell_length_b [8.6985]
_cell_length_c [7.3317]
_... |
mp-1206002 | Er6FeBi2 | data_[Er6Fe1Bi2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Fe 1.8300 1.4000 0.8525
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.2435]
_cell_length_b [8.2435]
_cell_length_c [4.1342]
_c... |
mp-1207708 | Y(AlFe2)4 | data_[Y2Al8Fe16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
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 [8.4916]
_cell_length_b [8.4916]
_cell_length_c [4.9401]
_c... |
mp-5637 | SrZnO2 | data_[Sr4Zn4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Zn 1.6500 1.3500 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.9179]
_cell_length_b [3.3748]
_cell_length_c [11.4575]
_cel... |
mp-15685 | Na2CuAs | data_[Na8Cu4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Cu 1.9000 1.3500 0.8200
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [8.8847]
_cell_length_b [7.1830]
_cell_length_c [5.3247]
_ce... |
mp-975599 | Pr3Er | data_[Pr6Er2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.3923]
_cell_length_b [7.3923]
_cell_length_c [5.9438]
_cell_angle_alpha [90.0000]
_ce... |
mp-976155 | HoLuRh2 | data_[Ho4Lu4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Lu 1.2700 1.7500 1.0010
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7806]
_cell_length_b [6.7806]
_cell_length_c [6.7806]
_c... |
mp-549695 | GdBi2ClO4 | data_[Gd1Bi2Cl1O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
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 [3.9215]
_cell_length_b [3.9... |
mp-1520904 | NaSrNbSnO6 | data_[Na4Sr4Nb4Sn4O24]
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
Nb 1.6000 1.4500 0.8200
Sn 1.9600 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_lengt... |
mp-1518621 | Ba2SrWO6 | data_[Ba8Sr4W4O24]
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
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.7282]
_cell_length_b [8.728... |
mp-1207007 | Tm(MnSi)2 | data_[Tm2Mn4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Mn 1.5500 1.4000 0.8775
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8558]
_cell_length_b [3.8558]
_cell_length_c [10.2828]
... |
mp-1106354 | Ce7Ni3 | data_[Ce14Ni6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [9.4626]
_cell_length_b [9.4626]
_cell_length_c [5.9881]
_cell_angle_alpha [90.0000]
_cel... |
mp-8287 | SmCuP2 | data_[Sm4Cu4P8]
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
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.7744]
_cell_length_b [3.7744]
_cell_length_c [19.8713]
_c... |
mp-1080051 | Zr6Ga2Ni | data_[Zr6Ga2Ni1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.8346]
_cell_length_b [7.8346]
_cell_length_c [3.4037]
_c... |
mp-1206369 | ScPd2Pb | data_[Sc4Pd8Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Pd 2.2000 1.4000 0.8462
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7006]
_cell_length_b [6.7006]
_cell_length_c [6.7006]
_c... |
mp-1064952 | NaN3 | data_[Na2N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.4279]
_cell_length_b [3.6960]
_cell_length_c [5.6270]
_cell_angle_alpha [90.0000]
_cell_angle... |
mp-1298106 | LaCrAsO | data_[La2Cr2As2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Cr 1.6600 1.4000 0.9400
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.1182]
_cell_length_b [4.1... |
mp-4413 | Th(SiRh)2 | data_[Th2Si4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Si 1.9000 1.1000 0.5400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1236]
_cell_length_b [4.1236]
_cell_length_c [10.1833]
... |
mp-29763 | RbMnBr3 | data_[Rb2Mn2Br6]
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
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.6419]
_cell_length_b [7.6419]
_cell_length_c [6.5574]... |
mp-1183593 | CaTmPd2 | data_[Ca4Tm4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Tm 1.2500 1.7500 1.0950
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9763]
_cell_length_b [6.9763]
_cell_length_c [6.9763]
_c... |
mp-1025448 | YPt | data_[Y4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.0574]
_cell_length_b [4.5542]
_cell_length_c [5.5944]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-569120 | NdPt3 | data_[Nd1Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.2081]
_cell_length_b [4.2081]
_cell_length_c [4.2081]
_cell_angle_alpha [90.0000]
_cell_... |
mp-974866 | Rb3Na | data_[Rb3Na1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Na 0.9300 1.8000 1.1600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [6.6709]
_cell_length_b [6.6709]
_cell_length_c [6.6709]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1176388 | Na2FeO2 | data_[Na4Fe2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.0401]
_cell_length_b [4.5876]
_cell_length_c [10.2411]
_cel... |
mp-1094607 | Li2Mg | data_[Li8Mg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.1071]
_cell_length_b [5.3982]
_cell_length_c [6.0587]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1104959 | Er(GaFe)6 | data_[Er2Ga12Fe12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ga 1.8100 1.3000 0.7600
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.0261]
_cell_length_b [8.4892]
_cell_length_c [8.6540]
_... |
mp-30987 | V3O5 | data_[V12O20]
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 [10.1803]
_cell_length_b [5.2022]
_cell_length_c [7.0884]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1102055 | LaAs2 | data_[La4As8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [4.2386]
_cell_length_b [6.9883]
_cell_length_c [10.7814]
_cell_angle_alpha [90.0000]
_cel... |
mp-153 | Mg | data_[Mg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.2030]
_cell_length_b [3.2030]
_cell_length_c [5.1267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_an... |
mp-8952 | HoAsPd | data_[Ho4As4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
As 2.1800 1.1500 0.6600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.0471]
_cell_length_b [4.1290]
_cell_length_c [7.9548]
_ce... |
mp-1187856 | YHoIr2 | data_[Y4Ho4Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ho 1.2300 1.7500 1.0410
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8533]
_cell_length_b [6.8533]
_cell_length_c [6.8533]
_cel... |
mp-561418 | Zr3O | data_[Zr36O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [5.6674]
_cell_length_b [5.6674]
_cell_length_c [31.4455]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1018152 | LuAu2 | data_[Lu2Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.6828]
_cell_length_b [3.6828]
_cell_length_c [9.0178]
_cell_angle_alpha [90.0000]
_cell... |
mp-862657 | LiCuPd2 | data_[Li4Cu4Pd8]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0165]
_cell_length_b [6.0165]
_cell_length_c [6.0165]
_c... |
mp-90 | Cr | data_[Cr2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [2.8740]
_cell_length_b [2.8740]
_cell_length_c [2.8740]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
mp-10695 | ZnS | data_[Zn4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.4503]
_cell_length_b [5.4503]
_cell_length_c [5.4503]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-638590 | MnTl2GeTe4 | data_[Mn2Tl4Ge2Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Tl 1.6200 1.9000 1.3325
Ge 2.0100 1.2500 0.7700
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [8.6174]
_cell_length_b [8.... |
mp-998234 | CsTlF3 | data_[Cs3Tl3F9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Tl 1.6200 1.9000 1.3325
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.7676]
_cell_length_b [6.7676]
_cell_length_c [8.2711]
_cell_... |
mp-1247102 | Mg2Cr3NiS8 | data_[Mg6Cr9Ni3S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Cr 1.6600 1.4000 0.9400
Ni 1.9100 1.3500 0.7400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.1752]
_cell_length_b [7.17... |
mp-1208676 | SrBrCl | data_[Sr4Br4Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Br 2.9600 1.1500 0.8825
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.7322]
_cell_length_b [4.8346]
_cell_length_c [10.0732]
_c... |
mp-780636 | Mn3O5F | data_[Mn6O10F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
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 [P-1]
_cell_length_a [4.5577]
_cell_length_b [5.4488]
_cell_length_c [7.5348]
_cell_a... |
mp-1186409 | PaSb3 | data_[Pa2Sb6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.3666]
_cell_length_b [6.3666]
_cell_length_c [5.9945]
_cell_angle_alpha [90.0000]
_ce... |
mp-1225004 | FeCoS4 | data_[Fe2Co2S8]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.4420]
_cell_length_b [5.4633]
_cell_length_c [5.4621]
_ce... |
mp-19987 | Pa3Sb4 | data_[Pa12Sb16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [9.1720]
_cell_length_b [9.1720]
_cell_length_c [9.1720]
_cell_angle_alpha [90.0000]
_cel... |
mp-259 | AlMo3 | data_[Al2Mo6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Pm-3n]
_cell_length_a [4.9790]
_cell_length_b [4.9790]
_cell_length_c [4.9790]
_cell_angle_alpha [90.0000]
_cell_... |
mp-567542 | PbI2 | data_[Pb4I8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pb 2.3300 1.8000 1.1225
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.6783]
_cell_length_b [4.6783]
_cell_length_c [31.5838]
_cell_angle_alpha [90.0000]
_cell_... |
mp-865092 | MgGaNi2 | data_[Mg4Ga4Ni8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.9114]
_cell_length_b [5.9114]
_cell_length_c [5.9114]
_c... |
mp-8850 | Dy2S3 | data_[Dy8S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.3110]
_cell_length_b [3.8888]
_cell_length_c [15.1996]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1212851 | Dy3Fe2Si7 | data_[Dy6Fe4Si14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.0878]
_cell_length_b [4.0316]
_cell_length_c [24.4784]
_... |
mp-1237443 | K3IrF6 | data_[K3Ir1F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ir 2.2000 1.3500 0.7650
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6794]
_cell_length_b [6.6891]
_cell_length_c [6.7563]
_cell_an... |
mp-866115 | Be2PdRh | data_[Be8Pd4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Pd 2.2000 1.4000 0.8462
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.6123]
_cell_length_b [5.6123]
_cell_length_c [5.6123]
_c... |
mp-1217936 | TaMn2FeO6 | data_[Ta3Mn6Fe3O18]
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
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.3323]
_cell_length_b [5.3323... |
mp-1275541 | Sr3Mn2Cu2S2O5 | data_[Sr6Mn4Cu4S4O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Mn 1.5500 1.4000 0.8775
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length... |
mp-1221622 | MnCoSnRh | data_[Mn4Co4Sn4Rh4]
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
Sn 1.9600 1.4500 0.8300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.1676]
_cell_length_b [6.... |
mp-488 | CuSe | data_[Cu6Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.0208]
_cell_length_b [4.0208]
_cell_length_c [17.4846]
_cell_angle_alpha [90.0000]
_c... |
mp-1066856 | AgO | data_[Ag4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [5.0270]
_cell_length_b [4.2731]
_cell_length_c [5.6457]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-543024 | Cs2Pd(IBr2)2 | data_[Cs4Pd2I4Br8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Pd 2.2000 1.4000 0.8462
I 2.6600 1.4000 1.2733
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.6987]
_cell_length_b [8.6... |
mp-1214580 | Ba3Cd(SiO4)2 | data_[Ba3Cd1Si2O8]
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
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.8130]
_cell_length_b [5.81... |
mp-1222296 | LiSmS2 | data_[Li3Sm3S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sm 1.1700 1.8500 1.2290
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.0026]
_cell_length_b [4.0026]
_cell_length_c [18.6349]
_cel... |
mp-983063 | PmSmHg2 | data_[Pm4Sm4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Sm 1.1700 1.8500 1.2290
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6181]
_cell_length_b [7.6181]
_cell_length_c [7.6181]
_c... |
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