Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm003583288 | ErLa3Tb7 | data_[La3Tb7Er1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Tb 1.1000 1.7500 0.9815
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [7.1221]
_cell_length_b [7.1221]
_cell_length_c [8.7965]
_ce... |
agm002723101 | GePTc2 | data_[Tc8Ge4P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
Ge 2.0100 1.2500 0.7700
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0131]
_cell_length_b [6.0131]
_cell_length_c [6.0131]
_cel... |
agm005400294 | NdPd3Si3 | data_[Nd2Si6Pd6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Si 1.9000 1.1000 0.5400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pm-3n]
_cell_length_a [6.5987]
_cell_length_b [6.5987]
_cell_length_c [6.5987]
_c... |
agm003326393 | C2Dy7Te2 | data_[Dy14Te4C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Te 2.1000 1.4000 1.2933
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7471]
_cell_length_b [11.4430]
_cell_length_c [7.6454]
_ce... |
agm005414011 | Ag2Cs2Ge | data_[Cs4Ag4Ge2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ag 1.9300 1.6000 1.0867
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [7.2187]
_cell_length_b [7.2187]
_cell_length_c [7.9070]
_... |
oqmd-4773006 | HgO3SmTl | data_[Sm4Tl4Hg4O12]
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
Hg 2.0000 1.5000 1.2450
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6579]
_cell_length_b [13.5... |
mp-1198416 | FeNaO14S2 | data_[Na4Fe4S8O56]
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
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.1945]
_cell_length_b [10.805... |
agm003465449 | Ac2Au4In | data_[Ac4In2Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
In 1.7800 1.5500 0.9400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.1470]
_cell_length_b [5.1470]
_cell_length_c [16.2385]
... |
agm005461621 | Au5Zn | data_[Zn1Au5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.4930]
_cell_length_b [5.4930]
_cell_length_c [4.7255]
_cell_angle_alpha [90.0000]
_cell... |
agm006099332 | Ag4LaLi6 | data_[Li6La1Ag4]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [7.6710]
_cell_length_b [7.6710]
_cell_length_c [4.2106]
_c... |
agm005484173 | InOsZr4 | data_[Zr16In4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
In 1.7800 1.5500 0.9400
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.9481]
_cell_length_b [7.9481]
_cell_length_c [7.9481]
_... |
agm001359913 | CaGaIrZn | data_[Ca4Zn4Ga4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Zn 1.6500 1.3500 0.8800
Ga 1.8100 1.3000 0.7600
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.4914]
_cell_length_b [6.... |
agm001812078 | AcCuGd2 | data_[Ac1Gd2Cu1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Gd 1.2000 1.8000 1.0750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6427]
_cell_length_b [3.6427]
_cell_length_c [8.9225]
_... |
mp-995226 | CH2O | data_[H32C16O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
H 2.2000 0.2500 0.0000
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/a]
_cell_length_a [9.6372]
_cell_length_b [9.6372]
_cell_length_c [6.4843]
_cel... |
agm003286626 | Si2Y3 | data_[Y6Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.3351]
_cell_length_b [6.2681]
_cell_length_c [8.7840]
_cell_angle_alpha [90.0000]
_cell_ang... |
agm002869189 | NiOsSn2 | data_[Ni4Sn8Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [4.2492]
_cell_length_b [4.2492]
_cell_length_c [17.3309]
_... |
agm002621080 | NbPb3V | data_[Nb1V1Pb3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
V 1.6300 1.3500 0.7775
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.4909]
_cell_length_b [5.4909]
_cell_length_c [5.4909]
_cel... |
agm003997852 | AuCrSr2 | data_[Sr6Cr3Au3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cr 1.6600 1.4000 0.9400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.4477]
_cell_length_b [4.4477]
_cell_length_c [25.0340]
_c... |
agm004602929 | As2Dy6SnTe3 | data_[Dy12Sn2Te6As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Sn 1.9600 1.4500 0.8300
Te 2.1000 1.4000 1.2933
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.7871]
_cell_length_b [4... |
agm004651448 | Ca3MgP6Pa2 | data_[Ca6Mg2Pa4P12]
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
Pa 1.5000 1.8000 1.0400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9977]
_cell_length_b [12.1... |
agm004816339 | S4ScTb2Y | data_[Tb2Y1Sc1S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Y 1.2200 1.8000 1.0400
Sc 1.3600 1.6000 0.8850
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.7140]
_cell_length_b [3.8416]... |
agm002691197 | CoLi2P | data_[Li8Co4P4]
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
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.7499]
_cell_length_b [5.7499]
_cell_length_c [5.7499]
_cel... |
agm001250965 | Ag3Ga5O12 | data_[Ga40Ag24O96]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Ag 1.9300 1.6000 1.0867
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [12.4402]
_cell_length_b [12.4402]
_cell_length_c [12.4402... |
oqmd-7765098 | AuErMg | data_[Er3Mg3Au3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Mg 1.3100 1.5000 0.8600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.6211]
_cell_length_b [7.6211]
_cell_length_c [3.9749]
_c... |
agm001456600 | Ag2PbRhTc | data_[Tc1Ag2Rh1Pb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
Ag 1.9300 1.6000 1.0867
Rh 2.2800 1.3500 0.7450
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.1733]
_cell_length_b [5... |
agm002568065 | BiP3Pd | data_[Bi1P3Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
P 2.1900 1.0000 0.5500
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.7410]
_cell_length_b [4.7410]
_cell_length_c [4.7410]
_cel... |
agm004199057 | CuInZr2 | data_[Zr2In1Cu1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.1710]
_cell_length_b [3.1710]
_cell_length_c [8.0572]
_ce... |
agm003693941 | ErPr12Tb6 | data_[Tb18Pr36Er3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Pr 1.1300 1.8500 1.0600
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.2598]
_cell_length_b [12.2598]
_cell_length_c [15.4240]... |
agm005190642 | SeTbTeTm | data_[Tb3Tm3Te3Se3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Tm 1.2500 1.7500 1.0950
Te 2.1000 1.4000 1.2933
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.0631]
_cell_length_b [4.06... |
agm001086959 | AlPm2Ru | data_[Pm8Al4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
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 [7.2007]
_cell_length_b [7.2007]
_cell_length_c [7.2007]
_c... |
agm004259273 | FeOsZn2 | data_[Zn4Fe2Os2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Fe 1.8300 1.4000 0.8525
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.8885]
_cell_length_b [2.6489]
_cell_length_c [4.6443]
_ce... |
agm001686301 | Br2HfSeSr | data_[Sr1Hf1Se1Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Hf 1.3000 1.5500 0.8500
Se 2.5500 1.1500 1.0133
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.5840]
_cell_length_b [5... |
agm2000119176 | Bi5Sb7 | data_[Bi5Sb7]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [8.4372]
_cell_length_b [10.5397]
_cell_length_c [18.5810]
_cell_angle_alpha [90.0000]
_cell_a... |
agm003617288 | CdGa2Pm | data_[Pm3Cd3Ga6]
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
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.4971]
_cell_length_b [4.4971]
_cell_length_c [15.5409]
_c... |
oqmd-5111428 | AcErMn | data_[Ac4Er4Mn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Er 1.2400 1.7500 1.0300
Mn 1.5500 1.4000 0.6483
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1644]
_cell_length_b [7.1644]
_cell_length_c [7.1644]
_c... |
agm001190340 | Sm3Y | data_[Sm3Y1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.1104]
_cell_length_b [5.1104]
_cell_length_c [5.1104]
_cell_angle_alpha [90.0000]
_cell_an... |
agm001075782 | I4K2Mg | data_[K4Mg2I8]
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
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.8586]
_cell_length_b [5.8586]
_cell_length_c [17.6625]
_cel... |
oqmd-8707928 | InO6Pb2V | data_[V4In4Pb8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
In 1.7800 1.5500 0.9400
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.0363]
_cell_length_b [8.036... |
oqmd-2622497 | CuHgTlZn | data_[Tl4Zn4Cu4Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.8867]
_cell_length_b [6.... |
agm004619323 | As6Dy3ErNd2 | data_[Nd4Dy6Er2As12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Dy 1.2200 1.7500 1.1310
Er 1.2400 1.7500 1.0300
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.1521]
_cell_length_b [4... |
oqmd-4882765 | BiPmV | data_[Pm4V4Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
V 1.6300 1.3500 0.7775
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.2504]
_cell_length_b [7.2504]
_cell_length_c [7.2504]
_cel... |
agm004949429 | HNi2NpO6 | data_[Np1Ni2H1O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Ni 1.9100 1.3500 0.7400
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2199]
_cell_length_b [5.2779]
_... |
agm003669574 | Er7LaSm4 | data_[La2Sm8Er14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sm 1.1700 1.8500 1.2290
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1502]
_cell_length_b [5.8937]
_cell_length_c [12.6858]
... |
agm005735726 | AcHoTm4 | data_[Ac1Ho1Tm4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Ho 1.2300 1.7500 1.0410
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.5250]
_cell_length_b [5.6560]
_cell_length_c [9.7631]
_ce... |
agm005745206 | CuGa6Pm2 | data_[Pm8Ga24Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.9065]
_cell_length_b [8.9065]
_cell_length_c [8.9065]
_... |
agm004351591 | RhTcTe | data_[Tc2Te2Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
Te 2.1000 1.4000 1.2933
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.1397]
_cell_length_b [4.0046]
_cell_length_c [8.1159]
_ce... |
agm004325819 | AsCo2Pt | data_[Co2As1Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
As 2.1800 1.1500 0.6600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.8303]
_cell_length_b [3.5071]
_cell_length_c [5.4366]
_ce... |
oqmd-7099910 | OPScSn | data_[Sc2Sn2P2O2]
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
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.3807]
_cell_length_b [4.380... |
agm002688485 | CuHg2K | data_[K4Cu4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Cu 1.9000 1.3500 0.8200
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5039]
_cell_length_b [7.5039]
_cell_length_c [7.5039]
_cel... |
oqmd-9836983 | Cd2Rh4SnZr | data_[Zr1Cd2Sn1Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Cd 1.6900 1.5500 1.0900
Sn 1.9600 1.4500 0.8300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.4732]
_cell_length_b [4... |
agm005177040 | CeN5Nd2P | data_[Ce4Nd8P4N20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Nd 1.1400 1.8500 1.2765
P 2.1900 1.0000 0.5500
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.7347]
_cell_length_b [6.73... |
agm005148361 | AgNa5O2Se | data_[Na5Ag1Se1O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ag 1.9300 1.6000 1.0867
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6242]
_cell_length_b [4.6... |
agm001738548 | AuMnN2Te | data_[Mn1Te1Au1N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Te 2.1000 1.4000 1.2933
Au 2.5400 1.3500 1.0700
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8809]
_cell_length_b [3.8... |
agm003704696 | Dy12Pm7Th | data_[Pm21Dy36Th3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Dy 1.2200 1.7500 1.1310
Th 1.3000 1.8000 1.0800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.3084]
_cell_length_b [12.3084]
_cell_length_c [15.3494]... |
agm004821731 | BiRb2Se4Tm | data_[Rb2Tm1Bi1Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Tm 1.2500 1.7500 1.0950
Bi 2.0200 1.6000 1.0350
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.4404]
_cell_length_b [4.2... |
agm001983799 | KNdPb2 | data_[K3Nd3Pb6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Nd 1.1400 1.8500 1.2765
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.7549]
_cell_length_b [3.7549]
_cell_length_c [33.7552]
_cel... |
agm002422055 | Be3NbTe | data_[Be3Nb1Te1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Nb 1.6000 1.4500 0.8200
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.5274]
_cell_length_b [4.5274]
_cell_length_c [4.5274]
_c... |
agm001613111 | Cl2CsSeY | data_[Cs1Y1Se1Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Y 1.2200 1.8000 1.0400
Se 2.5500 1.1500 1.0133
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.4533]
_cell_length_b [5.4... |
agm003240136 | AlCo6Ta | data_[Ta8Al8Co48]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Al 1.6100 1.2500 0.6750
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.2112]
_cell_length_b [10.2471]
_cell_length_c [10.2241]
... |
agm003477839 | Pa2PuTe5 | data_[Pu4Pa8Te20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Pa 1.5000 1.8000 1.0400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.1698]
_cell_length_b [8.1698]
_cell_length_c [14.1895]... |
agm003732735 | CRhV3 | data_[V12Rh4C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Rh 2.2800 1.3500 0.7450
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.1438]
_cell_length_b [4.0642]
_cell_length_c [7.3580]
_cell_... |
agm001664860 | CaLaSY2 | data_[Ca1La1Y2S1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
La 1.1000 1.9500 1.1720
Y 1.2200 1.8000 1.0400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.3513]
_cell_length_b [5.351... |
agm005648378 | InPuTh | data_[Pu4Th4In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Th 1.3000 1.8000 1.0800
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.3691]
_cell_length_b [6.4548]
_cell_length_c [9.3160]
_ce... |
agm004187064 | KOs2W | data_[K1Os2W1]
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
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [2.7780]
_cell_length_b [3.7873]
_cell_length_c [8.0650]
_cell_a... |
agm003882801 | Mo2SbTe | data_[Sb1Te1Mo2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
Te 2.1000 1.4000 1.2933
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.7062]
_cell_length_b [4.7062]
_cell_length_c [3.3210]
_... |
agm004141345 | AlBaW2 | data_[Ba2Al2W4]
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
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [2.8003]
_cell_length_b [5.3824]
_cell_length_c [11.1538]
_cel... |
agm006112910 | HgPb6Sn12 | data_[Sn36Hg3Pb18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Hg 2.0000 1.5000 1.2450
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.1774]
_cell_length_b [12.1774]
_cell_length_c [13.5162]... |
agm002677597 | BiGaOs2 | data_[Ga4Bi4Os8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Bi 2.0200 1.6000 1.0350
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4554]
_cell_length_b [6.4554]
_cell_length_c [6.4554]
_c... |
agm006116687 | BaBi6Pb5 | data_[Ba2Bi12Pb10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Bi 2.0200 1.6000 1.0350
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.1498]
_cell_length_b [10.3896]
_cell_length_c [14.8890]... |
agm005810664 | Br2CTb2 | data_[Tb6C3Br6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
C 2.5500 0.7000 0.3000
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.7249]
_cell_length_b [3.7249]
_cell_length_c [32.7497]
_cel... |
agm2000131418 | Br6PaRb2 | data_[Rb2Pa1Br6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Pa 1.5000 1.8000 1.0400
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-31m]
_cell_length_a [8.5058]
_cell_length_b [8.5058]
_cell_length_c [18.2035]
_... |
oqmd-8508003 | AlAsI6 | data_[Al4As4I24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
As 2.1800 1.1500 0.6600
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [11.0412]
_cell_length_b [11.0412]
_cell_length_c [11.0412]
... |
agm001256482 | Ag3Ba12P5 | data_[Ba96Ag24P40]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ag 1.9300 1.6000 1.0867
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [19.5859]
_cell_length_b [19.5859]
_cell_length_c [19.5859... |
agm005137158 | Cd5DyLa2Tb2 | data_[La4Tb4Dy2Cd10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Tb 1.1000 1.7500 0.9815
Dy 1.2200 1.7500 1.1310
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [10.7312]
_cell_length_b ... |
agm004538490 | Ba2Pd3RhSb4 | data_[Ba2Sb4Pd3Rh1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sb 2.0500 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.7727]
_cell_length_b [4.... |
agm003708740 | Er3MgTb | data_[Tb2Er6Mg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Er 1.2400 1.7500 1.0300
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [3.6807]
_cell_length_b [10.3220]
_cell_length_c [8.1177]
_c... |
agm004278277 | Mg2MnSc | data_[Mg4Sc2Mn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Sc 1.3600 1.6000 0.8850
Mn 1.5500 1.4000 0.6483
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.3395]
_cell_length_b [4.7946]
_cell_length_c [10.0872]
_c... |
agm003507438 | Na7O2P | data_[Na14P2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.4366]
_cell_length_b [11.6757]
_cell_length_c [4.5156]
_cell... |
agm001168931 | Al12Cr5Tc3 | data_[Al96Cr40Tc24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Cr 1.6600 1.4000 0.9400
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [14.9201]
_cell_length_b [14.9201]
_cell_length_c [14.92... |
agm005631675 | Pm2PrSc | data_[Pm4Pr2Sc2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Pr 1.1300 1.8500 1.0600
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.6431]
_cell_length_b [11.5300]
_cell_length_c [6.1773]
_c... |
agm001298413 | AgGaNaPt | data_[Na4Ga4Ag4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ga 1.8100 1.3000 0.7600
Ag 1.9300 1.6000 1.0867
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.4573]
_cell_length_b [6.... |
agm001179350 | Ag4HoMg | data_[Ho4Mg4Ag16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Mg 1.3100 1.5000 0.8600
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.9011]
_cell_length_b [7.9011]
_cell_length_c [7.9011]
_... |
agm005684725 | Ce5In3Tl3 | data_[Ce5Tl3In3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Tl 1.6200 1.9000 1.3325
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [10.7520]
_cell_length_b [10.7520]
_cell_length_c [3.3333]
... |
mp-776208 | Fe2Mn3NbO24P6 | data_[Mn9Nb3Fe6P18O72]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Nb 1.6000 1.4500 0.8200
Fe 1.8300 1.4000 0.8525
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a ... |
agm004584612 | Ca2Na2Se6U | data_[Na4Ca4U2Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ca 1.0000 1.8000 1.1400
U 1.3800 1.7500 0.9913
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3098]
_cell_length_b [12.3... |
agm002526280 | LaMn3Mo | data_[La1Mn3Mo1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Mn 1.5500 1.4000 0.6483
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.7376]
_cell_length_b [4.7376]
_cell_length_c [4.7376]
_c... |
agm003576456 | Au6Li3Pd | data_[Li12Pd4Au24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Pd 2.2000 1.4000 0.8462
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [9.8473]
_cell_length_b [13.3044]
_cell_length_c [5.2477... |
agm001317673 | NiTbYZn | data_[Tb4Y4Zn4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Y 1.2200 1.8000 1.0400
Zn 1.6500 1.3500 0.8800
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.9707]
_cell_length_b [6.97... |
agm001169688 | Ag4InLu | data_[Lu4In4Ag16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
In 1.7800 1.5500 0.9400
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.8707]
_cell_length_b [7.8707]
_cell_length_c [7.8707]
_... |
agm2000003110 | FNa | data_[Na2F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.1615]
_cell_length_b [3.1615]
_cell_length_c [19.5825]
_cell_angle_alpha [90.0000]
_cell_... |
agm003630708 | F2ITe | data_[Te4I4F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
I 2.6600 1.4000 1.2733
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.1340]
_cell_length_b [4.8902]
_cell_length_c [14.7733]
_cel... |
agm004035588 | Cr2CuRu | data_[Cr2Cu1Ru1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Cu 1.9000 1.3500 0.8200
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [2.5896]
_cell_length_b [2.5896]
_cell_length_c [7.5012]
_ce... |
agm004257072 | FeKMn2 | data_[K1Mn2Fe1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Mn 1.5500 1.4000 0.6483
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.8081]
_cell_length_b [3.4154]
_cell_length_c [7.9271]
_cell... |
agm004916591 | H8Pt2RuU | data_[U1H8Ru1Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
H 2.2000 0.2500 0.0000
Ru 2.2000 1.3000 0.6610
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.0615]
_cell_length_b [5.0615... |
agm006042514 | B4Mn4U | data_[U2Mn8B8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Mn 1.5500 1.4000 0.6483
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P4_2/nmc]
_cell_length_a [5.0894]
_cell_length_b [5.0894]
_cell_length_c [6.9341]
_ce... |
agm001326612 | AuCaCdPr | data_[Ca4Pr4Cd4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Pr 1.1300 1.8500 1.0600
Cd 1.6900 1.5500 1.0900
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.5301]
_cell_length_b [7.... |
agm004162923 | LaSb | data_[La2Sb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.4913]
_cell_length_b [3.4913]
_cell_length_c [12.5740]
_cell_angle_alpha [90.0000]
_cell... |
oqmd-7700366 | CdRbTe3Tm | data_[Rb4Tm4Cd4Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Tm 1.2500 1.7500 1.0950
Cd 1.6900 1.5500 1.0900
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.4882]
_cell_length_b [4... |
agm003295712 | PSr2 | data_[Sr8P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [4.4698]
_cell_length_b [7.6881]
_cell_length_c [14.9459]
_cell_angle_alpha [90.0000]
_cell_an... |
agm004191701 | NbPtTi2 | data_[Ti4Nb2Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Nb 1.6000 1.4500 0.8200
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [2.7632]
_cell_length_b [4.9323]
_cell_length_c [10.4467]
_c... |
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