Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm002723135 | LaPRe2 | data_[La4Re8P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Re 1.9000 1.3500 0.7125
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4976]
_cell_length_b [6.4976]
_cell_length_c [6.4976]
_cel... |
agm2000075788 | As2Be2Zn | data_[Be2Zn1As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Zn 1.6500 1.3500 0.8800
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.8145]
_cell_length_b [3.6565]
_cell_length_c [18.1633]
_cel... |
agm004687259 | Ho3Na3Se8Sn | data_[Na9Ho9Sn3Se24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ho 1.2300 1.7500 1.0410
Sn 1.9600 1.4500 0.8300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.1704]
_cell_length_b [8.... |
agm005767136 | Be17CrTa | data_[Ta3Be51Cr3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Be 1.5700 1.0500 0.5900
Cr 1.6600 1.4000 0.9400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.2982]
_cell_length_b [7.2982]
_cell_length_c [10.6576]
_c... |
agm004466069 | CrK | data_[K6Cr6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Cr 1.6600 1.4000 0.9400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.4080]
_cell_length_b [15.9843]
_cell_length_c [7.8342]
_cell_angle_alpha [90.0000]
_cell_an... |
agm2000121645 | BrIn | data_[In3Br3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6756]
_cell_length_b [4.6756]
_cell_length_c [21.5903]
_cell_angle_alpha [90.0000]
_cel... |
agm002323226 | Au2Ga3V | data_[V1Ga3Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Ga 1.8100 1.3000 0.7600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.3361]
_cell_length_b [5.3361]
_cell_length_c [4.4369]
_ce... |
agm002434684 | CRe3Sb | data_[Re3Sb1C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
Sb 2.0500 1.4500 0.8300
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.8391]
_cell_length_b [4.8391]
_cell_length_c [4.8391]
_cel... |
oqmd-9742645 | Pt5Sn2 | data_[Sn2Pt5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0631]
_cell_length_b [4.0631]
_cell_length_c [7.6208]
_cell_angle_alpha [90.0000]
_cell... |
agm001003358 | NiTcTi | data_[Ti4Tc4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Tc 1.9000 1.3500 0.7417
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.2206]
_cell_length_b [5.1902]
_cell_length_c [6.3582]
_ce... |
agm005887474 | Ac12CdNd3 | data_[Ac12Nd3Cd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Nd 1.1400 1.8500 1.2765
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.4827]
_cell_length_b [5.4827]
_cell_length_c [22.1067]... |
agm005006075 | AcAs2NaNi | data_[Na2Ac2Ni2As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ac 1.1000 1.9500 1.2600
Ni 1.9100 1.3500 0.7400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [5.2595]
_cell_length_b [6.7... |
agm001500573 | OsPSi2W | data_[Si2P1Os1W1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
P 2.1900 1.0000 0.5500
Os 2.2000 1.3000 0.6730
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.4715]
_cell_length_b [4.471... |
agm005656983 | Nd6Pr5Sc2 | data_[Pr10Nd12Sc4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Nd 1.1400 1.8500 1.2765
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [10.9696]
_cell_length_b [22.9933]
_cell_length_c [3.5593]... |
agm003335688 | Au4Ho2Mg3 | data_[Ho8Mg12Au16]
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
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [6.0117]
_cell_length_b [16.2318]
_cell_length_c [7.8211]
... |
agm001094128 | Ac2MgTb | data_[Ac8Tb4Mg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Tb 1.1000 1.7500 0.9815
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.3530]
_cell_length_b [8.3530]
_cell_length_c [8.3530]
_c... |
agm004754293 | Au2DySb2Sr | data_[Sr1Dy1Sb2Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Dy 1.2200 1.7500 1.1310
Sb 2.0500 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.6864]
_cell_length_b [4.... |
agm004980060 | Cl6InLiZn2 | data_[Li4Zn8In4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Zn 1.6500 1.3500 0.8800
In 1.7800 1.5500 0.9400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.2248]
_cell_length_b [1... |
agm001969867 | Gd2MnNd | data_[Nd4Gd8Mn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Gd 1.2000 1.8000 1.0750
Mn 1.5500 1.4000 0.6483
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6157]
_cell_length_b [7.6157]
_cell_length_c [7.6157]
_c... |
agm006132416 | ErN5Nd4 | data_[Nd8Er2N10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Er 1.2400 1.7500 1.0300
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [8.0392]
_cell_length_b [8.0392]
_cell_length_c [5.1655]
_cell_... |
oqmd-4563484 | CuGeLuSe3 | data_[Lu4Cu4Ge4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Cu 1.9000 1.3500 0.8200
Ge 2.0100 1.2500 0.7700
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8858]
_cell_length_b [13... |
agm003543392 | Ge3Ni3Sc | data_[Sc2Ni6Ge6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [7.9237]
_cell_length_b [7.9237]
_cell_length_c [4.0229]
_... |
agm001780797 | IMgSb2V | data_[Mg1V1Sb2I1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
V 1.6300 1.3500 0.7775
Sb 2.0500 1.4500 0.8300
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.3387]
_cell_length_b [5.338... |
agm002859356 | BiInN2 | data_[In4Bi4N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Bi 2.0200 1.6000 1.0350
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.3103]
_cell_length_b [5.3103]
_cell_length_c [10.5891]
_ce... |
agm003674863 | Ho5LaPm5 | data_[La1Pm5Ho5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pm 1.1300 1.8500 1.1100
Ho 1.2300 1.7500 1.0410
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [6.1383]
_cell_length_b [6.1383]
_cell_length_c [11.7900]
_... |
agm005137848 | B2GaIr5Pu2 | data_[Pu4Ga2B4Ir10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Ga 1.8100 1.3000 0.7600
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 [9.4977]
_cell_length_b [9.... |
agm003775148 | CaNd6Tb | data_[Ca1Tb1Nd6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Tb 1.1000 1.7500 0.9815
Nd 1.1400 1.8500 1.2765
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.2037]
_cell_length_b [5.2037]
_cell_length_c [10.4276]
... |
agm004147004 | KMnPb | data_[K2Mn2Pb2]
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
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.8959]
_cell_length_b [3.8959]
_cell_length_c [12.7454]
_cel... |
agm2000128389 | Br4Th | data_[Th1Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.0365]
_cell_length_b [19.2571]
_cell_length_c [8.7596]
_cell_angle_alpha [90.0000]
_cell_... |
agm002579114 | Ir3RhW | data_[Ir3Rh1W1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ir 2.2000 1.3500 0.7650
Rh 2.2800 1.3500 0.7450
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.6150]
_cell_length_b [4.6150]
_cell_length_c [4.6150]
_cel... |
agm003595228 | CsGa4Ge4 | data_[Cs2Ga8Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ga 1.8100 1.3000 0.7600
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P4_2/nmc]
_cell_length_a [6.7867]
_cell_length_b [6.7867]
_cell_length_c [9.1900]... |
oqmd-7165564 | MnPd2Ti | data_[Ti4Mn4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Mn 1.5500 1.4000 0.6483
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.2168]
_cell_length_b [6.2168]
_cell_length_c [6.2168]
_c... |
agm001588746 | AsCo2MnSc | data_[Sc1Mn1Co2As1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Mn 1.5500 1.4000 0.6483
Co 1.8800 1.3500 0.7683
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.2527]
_cell_length_b [4... |
agm001427549 | AsB2LaTe | data_[La1B2Te1As1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
B 2.0400 0.8500 0.4100
Te 2.1000 1.4000 1.2933
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9974]
_cell_length_b [4.9... |
agm005443333 | CrIn4Tl | data_[Tl4Cr4In16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Cr 1.6600 1.4000 0.9400
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.6687]
_cell_length_b [8.6687]
_cell_length_c [8.6687]
_... |
agm001458433 | Co2SrTcZr | data_[Sr1Zr1Co2Tc1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Zr 1.3300 1.5500 0.8600
Co 1.8800 1.3500 0.7683
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.7912]
_cell_length_b [4... |
agm006084312 | Ba4Br5Pd | data_[Ba8Pd2Br10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Pd 2.2000 1.4000 0.8462
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.8508]
_cell_length_b [8.8869]
_cell_length_c [19.1202]
_... |
agm003366627 | In5Nd4Si2 | data_[Nd4In5Si2]
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
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.6348]
_cell_length_b [4.3545]
_cell_length_c [8.8297]
_ce... |
agm001468629 | AsGe2LiTa | data_[Li1Ta1Ge2As1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ta 1.5000 1.4500 0.8200
Ge 2.0100 1.2500 0.7700
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0961]
_cell_length_b [5... |
agm005440952 | BeBr4Ni | data_[Be4Ni4Br16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Ni 1.9100 1.3500 0.7400
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.7689]
_cell_length_b [8.7689]
_cell_length_c [8.7689]
_... |
agm001011370 | BBrSr | data_[Sr4B4Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
B 2.0400 0.8500 0.4100
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2884]
_cell_length_b [4.1517]
_cell_length_c [12.2182]
_cel... |
agm002039491 | BaBeRb | data_[Rb2Ba2Be2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ba 0.8900 2.1500 1.4900
Be 1.5700 1.0500 0.5900
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.3150]
_cell_length_b [4.7445]
_cell_length_c [16.9288]
_cel... |
agm003714209 | HgNd3Sn | data_[Nd24Sn8Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Sn 1.9600 1.4500 0.8300
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [12.2247]
_cell_length_b [11.4752]
_cell_length_c [9.1099]
... |
agm005495697 | AuRh | data_[Rh4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rh 2.2800 1.3500 0.7450
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [4.8961]
_cell_length_b [4.7027]
_cell_length_c [5.6506]
_cell_angle_alpha [90.0000]
_cell_a... |
agm001491491 | BaGeSn2Zr | data_[Ba1Zr1Sn2Ge1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Zr 1.3300 1.5500 0.8600
Sn 1.9600 1.4500 0.8300
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.9843]
_cell_length_b [5... |
agm006001504 | BaCa4Sr10 | data_[Ba2Sr20Ca8]
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
Ca 1.0000 1.8000 1.1400
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [11.7143]
_cell_length_b [11.7143]
_cell_length_c [12.0118]... |
agm002727458 | PtRe2Rh | data_[Re8Pt4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
Pt 2.2800 1.3500 0.8050
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2468]
_cell_length_b [6.2468]
_cell_length_c [6.2468]
_c... |
agm005761624 | GePa2Si3 | data_[Pa2Si3Ge1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Si 1.9000 1.1000 0.5400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.9165]
_cell_length_b [4.0224]
_cell_length_c [7.3051]
_ce... |
agm004016676 | ClReW2 | data_[Re1W2Cl1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
W 2.3600 1.3500 0.7667
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.9907]
_cell_length_b [3.9953]
_cell_length_c [7.1175]
_cell... |
agm003470515 | Dy5HPb2 | data_[Dy10H2Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
H 2.2000 0.2500 0.0000
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [6.9533]
_cell_length_b [6.9533]
_cell_length_c [8.9936]
_cel... |
agm001534006 | BaIn2IrMn | data_[Ba1Mn1In2Ir1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Mn 1.5500 1.4000 0.6483
In 1.7800 1.5500 0.9400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.2813]
_cell_length_b [6... |
agm001372996 | AuIrLiPm | data_[Li4Pm4Ir4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Pm 1.1300 1.8500 1.1100
Ir 2.2000 1.3500 0.7650
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.8159]
_cell_length_b [6.... |
agm004919290 | Dy4PrSe8Tb | data_[Tb3Pr3Dy12Se24]
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
Dy 1.2200 1.7500 1.1310
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.4778]
_cell_length_b [8.... |
agm003691299 | Ga6Nd12Tm | data_[Nd36Tm3Ga18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Tm 1.2500 1.7500 1.0950
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [14.6064]
_cell_length_b [14.6064]
_cell_length_c [9.5975]
... |
agm001837535 | AcBaZn | data_[Ba2Ac2Zn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ac 1.1000 1.9500 1.2600
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.0476]
_cell_length_b [4.0476]
_cell_length_c [14.3893]
_c... |
agm003055841 | CaScTl | data_[Ca2Sc2Tl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Sc 1.3600 1.6000 0.8850
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.3440]
_cell_length_b [3.7308]
_cell_length_c [8.6351]
_cell... |
agm005734017 | CeCl4Cs | data_[Cs4Ce4Cl16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ce 1.1200 1.8500 1.0800
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.6107]
_cell_length_b [21.7715]
_cell_length_c [8.0654]
_... |
agm003710458 | GaPm3Si | data_[Pm6Ga2Si2]
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
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.5089]
_cell_length_b [7.1694]
_cell_length_c [8.9702]
_ce... |
agm001980259 | PaPu2Y | data_[Y3Pu6Pa3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Pu 1.2800 1.7500 0.9675
Pa 1.5000 1.8000 1.0400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.9206]
_cell_length_b [3.9206]
_cell_length_c [27.0593]
_cel... |
agm001654002 | CrHMnNb2 | data_[Mn1Nb2Cr1H1]
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
Cr 1.6600 1.4000 0.9400
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3643]
_cell_length_b [4.3... |
agm005879847 | In2Mg2Tm | data_[Tm2Mg4In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Mg 1.3100 1.5000 0.8600
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.0853]
_cell_length_b [5.0853]
_cell_length_c [12.0202... |
agm002401670 | AsPdRb3 | data_[Rb3As1Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
As 2.1800 1.1500 0.6600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [6.2249]
_cell_length_b [6.2249]
_cell_length_c [6.2249]
_c... |
agm004762441 | K2NbS4Tl | data_[K4Nb2Tl2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Nb 1.6000 1.4500 0.8200
Tl 1.6200 1.9000 1.3325
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [8.0538]
_cell_length_b [8.0538]
... |
agm001032207 | ErHPm | data_[Pm4Er4H4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Er 1.2400 1.7500 1.0300
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.6136]
_cell_length_b [3.6531]
_cell_length_c [5.6360]
_cel... |
agm005123189 | Dy2PuTl | data_[Dy6Pu3Tl3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Pu 1.2800 1.7500 0.9675
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.5472]
_cell_length_b [3.5472]
_cell_length_c [32.2736]
_ce... |
agm001960547 | Ac2AsCl | data_[Ac6As3Cl3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
As 2.1800 1.1500 0.6600
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.5229]
_cell_length_b [4.5229]
_cell_length_c [21.1697]
_c... |
agm003462508 | MnPu4Rh2 | data_[Pu16Mn4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Mn 1.5500 1.4000 0.6483
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [8.4166]
_cell_length_b [8.4166]
_cell_length_c [8.4232]
_... |
agm006000654 | Er4Pr10Sc | data_[Pr20Er8Sc2]
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
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [9.9191]
_cell_length_b [9.9191]
_cell_length_c [10.5401]
_... |
agm003558579 | HoLa3Tm4 | data_[La6Ho2Tm8]
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
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [11.4519]
_cell_length_b [7.3248]
_cell_length_c [6.3323]
... |
agm004672477 | Ba3GaO9Sn2 | data_[Ba3Ga1Sn2O9]
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
Sn 1.9600 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.8653]
_cell_length_b [5.86... |
mp-1246431 | AlMgS4V | data_[Mg4Al4V4S16]
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
V 1.6300 1.3500 0.7775
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.1374]
_cell_length_b [7.2472... |
oqmd-8152460 | CrErKSe3 | data_[K4Er4Cr4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Er 1.2400 1.7500 1.0300
Cr 1.6600 1.4000 0.9400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.9049]
_cell_length_b [4.1... |
agm005000093 | BiHgSrTl2 | data_[Sr4Tl8Hg4Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Tl 1.6200 1.9000 1.3325
Hg 2.0000 1.5000 1.2450
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.5921]
_cell_length_b [15.... |
agm001043682 | ErPrZn | data_[Pr4Er4Zn4]
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
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.1194]
_cell_length_b [5.0051]
_cell_length_c [7.0930]
_c... |
agm002951078 | BiPt2Zn2 | data_[Zn4Bi2Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Bi 2.0200 1.6000 1.0350
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.7678]
_cell_length_b [3.7678]
_cell_length_c [13.0092]
... |
agm001309535 | CuGdPaRu | data_[Gd4Pa4Cu4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Pa 1.5000 1.8000 1.0400
Cu 1.9000 1.3500 0.8200
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.8952]
_cell_length_b [6.... |
agm004823967 | HgSe2Sm4Tl | data_[Sm4Tl1Hg1Se2]
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
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1208]
_cell_length_b [4.0... |
agm003489767 | Ga2LiPd6 | data_[Li2Ga4Pd12]
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 [Immm]
_cell_length_a [4.1447]
_cell_length_b [5.8136]
_cell_length_c [12.2441]
_... |
agm003863977 | Pt2RuSe | data_[Ru4Pt8Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ru 2.2000 1.3000 0.6610
Pt 2.2800 1.3500 0.8050
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.3373]
_cell_length_b [6.3373]
_cell_length_c [6.3373]
_c... |
agm001100381 | MnVW2 | data_[Mn4V4W8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
V 1.6300 1.3500 0.7775
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0799]
_cell_length_b [6.0799]
_cell_length_c [6.0799]
_cell_... |
agm003413410 | Al3AuPr2 | data_[Pr16Al24Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Al 1.6100 1.2500 0.6750
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [7.8159]
_cell_length_b [9.1756]
_cell_length_c [15.9275]
... |
oqmd-4935180 | LiMgTb | data_[Li4Tb4Mg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Tb 1.1000 1.7500 0.9815
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.8479]
_cell_length_b [6.8479]
_cell_length_c [6.8479]
_c... |
agm2000064330 | ClI3Ir | data_[Ir2I6Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ir 2.2000 1.3500 0.7650
I 2.6600 1.4000 1.2733
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [8.3854]
_cell_length_b [8.6617]
_cell_length_c [19.8112]
_cell_... |
agm002811923 | CaMnY2 | data_[Ca8Y16Mn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Y 1.2200 1.8000 1.0400
Mn 1.5500 1.4000 0.6483
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [10.7480]
_cell_length_b [10.7480]
_cell_length_c [10.7480]
... |
agm005074129 | Cl6CsDyMn | data_[Cs1Dy1Mn1Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Dy 1.2200 1.7500 1.1310
Mn 1.5500 1.4000 0.6483
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [6.8335]
_cell_length_b [6.8... |
oqmd-1939086 | O4PmW2 | data_[Pm8W16O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [9.0858]
_cell_length_b [9.0858]
_cell_length_c [9.0858]
_cel... |
agm003449245 | Bi2InNd4 | data_[Nd8In2Bi4]
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
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.2351]
_cell_length_b [6.8285]
_cell_length_c [10.9379]
... |
agm003879646 | InSi2Y | data_[Y4In4Si8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
In 1.7800 1.5500 0.9400
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.0324]
_cell_length_b [7.0324]
_cell_length_c [7.0324]
_cel... |
agm005092048 | BaCl6CoK | data_[K1Ba1Co1Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ba 0.8900 2.1500 1.4900
Co 1.8800 1.3500 0.7683
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [7.0943]
_cell_length_b [7.094... |
agm001470592 | AlBeInN2 | data_[Be1Al1In1N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Al 1.6100 1.2500 0.6750
In 1.7800 1.5500 0.9400
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.2119]
_cell_length_b [4.2... |
agm004048320 | BeNiOs2 | data_[Be2Ni2Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Ni 1.9100 1.3500 0.7400
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [2.7351]
_cell_length_b [4.4850]
_cell_length_c [8.2190]
_ce... |
agm002743766 | IrPbTe2 | data_[Te8Ir4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
Ir 2.2000 1.3500 0.7650
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2870]
_cell_length_b [7.2870]
_cell_length_c [7.2870]
_c... |
agm003554633 | Au3HgLa4 | data_[La4Hg1Au3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Hg 2.0000 1.5000 1.2450
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.0173]
_cell_length_b [4.9214]
_cell_length_c [11.6234]
_c... |
agm006040606 | HoPd4Th2 | data_[Ho2Th4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Th 1.3000 1.8000 1.0800
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9293]
_cell_length_b [5.7226]
_cell_length_c [7.8611]
_ce... |
agm004821123 | Na2NpSe4Te | data_[Na2Np1Te1Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Np 1.3600 1.7500 1.0000
Te 2.1000 1.4000 1.2933
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.5855]
_cell_length_b [4.0... |
oqmd-9022313 | K2S2V | data_[K8V4S8]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [11.1276]
_cell_length_b [8.3157]
_cell_length_c [5.9349]
_cell_an... |
agm004672037 | GePd9Sb2Sr3 | data_[Sr3Ge1Sb2Pd9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ge 2.0100 1.2500 0.7700
Sb 2.0500 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.8542]
_cell_length_b [6.... |
agm004088514 | Co2Ni | data_[Co2Ni1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0354]
_cell_length_b [4.0354]
_cell_length_c [2.4628]
_cell_angle_alpha [90.0000]
_cell... |
oqmd-4965763 | HoPdSr | data_[Sr4Ho4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ho 1.2300 1.7500 1.0410
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1341]
_cell_length_b [7.1341]
_cell_length_c [7.1341]
_c... |
agm002844433 | Hf2LaRe | data_[La4Hf8Re4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Hf 1.3000 1.5500 0.8500
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [4.2832]
_cell_length_b [4.2832]
_cell_length_c [20.6514]
_... |
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