Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm004975437 | Cu2O6RhSe | data_[Cu8Rh4Se4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Rh 2.2800 1.3500 0.7450
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.7598]
_cell_length_b [9.04... |
agm003602889 | AcHgSm | data_[Ac2Sm2Hg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Sm 1.1700 1.8500 1.2290
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [5.0513]
_cell_length_b [5.0513]
_cell_length_c [8.0715]
_... |
agm005015528 | LiN2TeU | data_[Li2U2Te2N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
U 1.3800 1.7500 0.9913
Te 2.1000 1.4000 1.2933
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.9346]
_cell_length_b [3.9346]... |
oqmd-2884840 | AsCoCuGa | data_[Ga4Co4Cu4As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
Cu 1.9000 1.3500 0.8200
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.0717]
_cell_length_b [6.... |
agm005034720 | CuMgNdTe3 | data_[Nd2Mg2Cu2Te6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Mg 1.3100 1.5000 0.8600
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.6291]
_cell_length_b [4... |
agm002967744 | Au2Cd2In | data_[Cd4In2Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
In 1.7800 1.5500 0.9400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.4817]
_cell_length_b [8.4817]
_cell_length_c [3.0079]
_... |
agm003700469 | Ga6S8Sn | data_[Ga18Sn3S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Sn 1.9600 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.8341]
_cell_length_b [9.8341]
_cell_length_c [11.3901]
_ce... |
agm001765804 | FeNaP2S | data_[Na1Fe1P2S1]
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
P 2.1900 1.0000 0.5500
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.7610]
_cell_length_b [4.761... |
agm005067905 | AgCl5HgSr | data_[Sr4Ag4Hg4Cl20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ag 1.9300 1.6000 1.0867
Hg 2.0000 1.5000 1.2450
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.5206]
_cell_length_b [11... |
agm001102648 | CEuTh3 | data_[Eu1Th3C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Th 1.3000 1.8000 1.0800
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.1933]
_cell_length_b [5.1933]
_cell_length_c [5.1933]
_cel... |
agm001335014 | AuErPdSn | data_[Er4Sn4Pd4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Sn 1.9600 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.8708]
_cell_length_b [6.... |
agm001665498 | AuCs2ITe | data_[Cs2Te1Au1I1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Te 2.1000 1.4000 1.2933
Au 2.5400 1.3500 1.0700
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [7.1412]
_cell_length_b [7.1... |
agm004562611 | CrNb2S2Se4 | data_[Nb2Cr1Se4S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Cr 1.6600 1.4000 0.9400
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.3530]
_cell_length_b [3.353... |
agm003345720 | Ce2Ge5Tc3 | data_[Ce8Tc12Ge20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Tc 1.9000 1.3500 0.7417
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [9.9197]
_cell_length_b [12.7992]
_cell_length_c [5.8416]
... |
agm005099439 | AsCl6FeRb | data_[Rb1Fe1As1Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Fe 1.8300 1.4000 0.8525
As 2.1800 1.1500 0.6600
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [6.5673]
_cell_length_b [6.5... |
agm001603432 | AuHOsSe2 | data_[H1Os1Au1Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
H 2.2000 0.2500 0.0000
Os 2.2000 1.3000 0.6730
Au 2.5400 1.3500 1.0700
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6812]
_cell_length_b [4.6... |
agm002573681 | InPd3Pt | data_[In1Pd3Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Pd 2.2000 1.4000 0.8462
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.9218]
_cell_length_b [4.9218]
_cell_length_c [4.9218]
_c... |
agm004068642 | ReRh2Sr | data_[Sr2Re2Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Re 1.9000 1.3500 0.7125
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.5879]
_cell_length_b [5.2938]
_cell_length_c [8.6113]
_ce... |
agm005922704 | Cu2PaSe4 | data_[Pa4Cu8Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4_122]
_cell_length_a [7.7590]
_cell_length_b [7.7590]
_cell_length_c [10.8919]... |
agm005204300 | NSbThTm | data_[Tm2Th2Sb2N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Th 1.3000 1.8000 1.0800
Sb 2.0500 1.4500 0.8300
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.4258]
_cell_length_b [4.4... |
agm004996334 | BaGaMgP2 | data_[Ba4Mg4Ga4P8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Mg 1.3100 1.5000 0.8600
Ga 1.8100 1.3000 0.7600
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Cmme]
_cell_length_a [6.2449]
_cell_length_b [13.51... |
agm004725945 | CuLi4S8Th3 | data_[Li8Th6Cu2S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Th 1.3000 1.8000 1.0800
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3657]
_cell_length_b [7.7... |
agm004146614 | CaKLa2 | data_[K3Ca3La6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ca 1.0000 1.8000 1.1400
La 1.1000 1.9500 1.1720
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.7921]
_cell_length_b [3.7921]
_cell_length_c [41.1600]
_cel... |
oqmd-9373777 | Dy2ErGa2Gd | data_[Gd1Dy2Er1Ga2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Dy 1.2200 1.7500 1.1310
Er 1.2400 1.7500 1.0300
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [5.1589]
_cell_length_b [5.... |
agm001738107 | HfN2TeTl | data_[Hf1Tl1Te1N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Tl 1.6200 1.9000 1.3325
Te 2.1000 1.4000 1.2933
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.2345]
_cell_length_b [4.2... |
agm2000087728 | Fe2PbTe3 | data_[Fe4Te6Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Te 2.1000 1.4000 1.2933
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.4223]
_cell_length_b [6.4052]
_cell_length_c [19.1444]
_cel... |
agm003836238 | MoP2Sb | data_[Sb1Mo1P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
Mo 2.1600 1.4500 0.7750
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.1430]
_cell_length_b [3.1430]
_cell_length_c [6.9461]
_ce... |
agm003480116 | Hg5PmTm2 | data_[Pm2Tm4Hg10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Tm 1.2500 1.7500 1.0950
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.2098]
_cell_length_b [5.2098]
_cell_length_c [14.6024]... |
agm003533881 | Ac8La2Pb | data_[Ac16La4Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
La 1.1000 1.9500 1.1720
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.5555]
_cell_length_b [5.9413]
_cell_length_c [8.5823]
_... |
agm004887791 | NaO8Te2Tm | data_[Na2Tm2Te4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Tm 1.2500 1.7500 1.0950
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.2337]
_cell_length_b [5.233... |
agm005801374 | AgOsSm3 | data_[Sm24Ag8Os8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ag 1.9300 1.6000 1.0867
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [6.5531]
_cell_length_b [10.0982]
_cell_length_c [15.7567]
... |
agm001359064 | AlHfNiOs | data_[Hf4Al4Ni4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Al 1.6100 1.2500 0.6750
Ni 1.9100 1.3500 0.7400
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.2251]
_cell_length_b [6.... |
agm003977867 | AuRe2Ta | data_[Ta4Re8Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Re 1.9000 1.3500 0.7125
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.4093]
_cell_length_b [6.4093]
_cell_length_c [6.4093]
_c... |
agm003624424 | Er2HoZr | data_[Ho3Er6Zr3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Er 1.2400 1.7500 1.0300
Zr 1.3300 1.5500 0.8600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.4462]
_cell_length_b [3.4462]
_cell_length_c [33.2932]
_ce... |
agm002930727 | LiP2Zr2 | data_[Li2Zr4P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Zr 1.3300 1.5500 0.8600
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.9795]
_cell_length_b [4.9795]
_cell_length_c [9.0300]
_ce... |
agm003646700 | LiRh4Tm5 | data_[Li1Tm5Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Tm 1.2500 1.7500 1.0950
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.3970]
_cell_length_b [3.3970]
_cell_length_c [17.7425]
... |
oqmd-2575491 | AgCrZn2 | data_[Zn8Cr4Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Cr 1.6600 1.4000 0.9400
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2598]
_cell_length_b [6.2598]
_cell_length_c [6.2598]
_c... |
agm003556359 | CdCl4Tl3 | data_[Tl6Cd2Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Cd 1.6900 1.5500 1.0900
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [6.3755]
_cell_length_b [6.3755]
_cell_length_c [12.8078]
... |
agm003018336 | Mn2PSi2 | data_[Mn4Si4P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Si 1.9000 1.1000 0.5400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.1170]
_cell_length_b [6.1170]
_cell_length_c [3.3129]
_ce... |
agm002720904 | AuBi2Os | data_[Bi8Os4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
Os 2.2000 1.3000 0.6730
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0512]
_cell_length_b [7.0512]
_cell_length_c [7.0512]
_c... |
oqmd-8059834 | B4YYb | data_[Yb1Y1B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Y 1.2200 1.8000 1.0400
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [3.2672]
_cell_length_b [3.2672]
_cell_length_c [7.8665]
_cell... |
agm003704099 | Er12NdTm7 | data_[Nd3Er36Tm21]
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
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.8570]
_cell_length_b [11.8570]
_cell_length_c [15.7034]... |
agm005046750 | BrO4SmW | data_[Sm4W4Br4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
W 2.3600 1.3500 0.7667
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7635]
_cell_length_b [7.462... |
agm003333449 | Nd2Tb4Tm3 | data_[Tb16Nd8Tm12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Nd 1.1400 1.8500 1.2765
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.1491]
_cell_length_b [11.6479]
_cell_length_c [6.1540]... |
agm004130716 | FeIr2Ru | data_[Fe2Ir4Ru2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Ir 2.2000 1.3500 0.7650
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [2.7778]
_cell_length_b [4.4259]
_cell_length_c [9.1202]
_ce... |
agm003514516 | F8In2Sc | data_[Sc2In4F16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
In 1.7800 1.5500 0.9400
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.5868]
_cell_length_b [7.2173]
_cell_length_c [4.5995]
_cel... |
agm002875332 | BrP2Se | data_[P8Se4Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
P 2.1900 1.0000 0.5500
Se 2.5500 1.1500 1.0133
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [6.9975]
_cell_length_b [6.9975]
_cell_length_c [7.6816]
_cel... |
agm003288781 | Hg2Pr5 | data_[Pr20Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.6983]
_cell_length_b [8.0574]
_cell_length_c [6.7017]
_cell_angle_alpha [90.0000]
_cell... |
agm002049064 | CPS | data_[P1C1S1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
P 2.1900 1.0000 0.5500
C 2.5500 0.7000 0.3000
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.6638]
_cell_length_b [2.7718]
_cell_length_c [6.7918]
_cell_angle... |
agm001338386 | FeSnTcU | data_[U4Fe4Tc4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Fe 1.8300 1.4000 0.8525
Tc 1.9000 1.3500 0.7417
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.5527]
_cell_length_b [6.55... |
agm005736799 | Cd10Ga2Tl | data_[Tl4Cd40Ga8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Cd 1.6900 1.5500 1.0900
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.5294]
_cell_length_b [14.3474]
_cell_length_c [15.4558]
... |
agm002840542 | ILa2Pb | data_[La8Pb4I4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pb 2.3300 1.8000 1.1225
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [6.9844]
_cell_length_b [6.9844]
_cell_length_c [15.9255]
_ce... |
agm004930356 | Ce6FeGa2H | data_[Ce24Ga8Fe4H4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ga 1.8100 1.3000 0.7600
Fe 1.8300 1.4000 0.8525
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.6888]
_cell_length_b [9.6... |
agm006107654 | Er4HoN5 | data_[Ho2Er8N10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Er 1.2400 1.7500 1.0300
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [7.6752]
_cell_length_b [7.6752]
_cell_length_c [4.8534]
_cel... |
agm004000328 | AgKRe2 | data_[K2Re4Ag2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Re 1.9000 1.3500 0.7125
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [2.6657]
_cell_length_b [4.8802]
_cell_length_c [11.5927]
_cel... |
agm005839476 | Cd5Hg2Sn | data_[Cd10Sn2Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Sn 1.9600 1.4500 0.8300
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.0753]
_cell_length_b [6.4192]
_cell_length_c [15.5402]
_... |
agm005648101 | As4Ca3Rh2 | data_[Ca6As8Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
As 2.1800 1.1500 0.6600
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.0839]
_cell_length_b [4.3234]
_cell_length_c [8.4312]
_c... |
agm003775112 | Ac6PbPm | data_[Ac6Pm1Pb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Pm 1.1300 1.8500 1.1100
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.4211]
_cell_length_b [5.4211]
_cell_length_c [11.1167]
... |
agm001258593 | AuGeZn | data_[Zn1Ge1Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ge 2.0100 1.2500 0.7700
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.6999]
_cell_length_b [4.6999]
_cell_length_c [2.9709]
_ce... |
agm005999959 | Ir2SbSr8 | data_[Sr8Sb1Ir2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Sb 2.0500 1.4500 0.8300
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.0850]
_cell_length_b [8.6920]
_cell_length_c [9.5450]
_cel... |
agm005881630 | Ho2LaSc3 | data_[La4Ho8Sc12]
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
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [5.9297]
_cell_length_b [10.2704]
_cell_length_c [11.3545]
... |
agm004489345 | Nd4O2Sn3Tm2 | data_[Nd8Tm4Sn6O4]
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
Sn 1.9600 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.8012]
_cell_length_b [4.8... |
oqmd-5967324 | CaSi2Tc2 | data_[Ca2Si4Tc4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Si 1.9000 1.1000 0.5400
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.3134]
_cell_length_b [7.3134]
_cell_length_c [2.9416]
_... |
agm004913978 | CeCl8Na2Rb | data_[Rb1Na2Ce1Cl8]
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
Ce 1.1200 1.8500 1.0800
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.7552]
_cell_length_b [9.4... |
agm002928962 | CaLi2Mg2 | data_[Li4Ca2Mg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ca 1.0000 1.8000 1.1400
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2688]
_cell_length_b [4.2688]
_cell_length_c [14.6050]
... |
agm005690258 | CeCo2Nd | data_[Ce4Nd4Co8]
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
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [6.1679]
_cell_length_b [6.2141]
_cell_length_c [9.2390]
_ce... |
agm005619974 | Ca3I8In2 | data_[Ca6In4I16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
In 1.7800 1.5500 0.9400
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.1521]
_cell_length_b [9.1987]
_cell_length_c [7.9811]
_ce... |
agm004629943 | N6TaTb3Y2 | data_[Tb6Y4Ta2N12]
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
Ta 1.5000 1.4500 0.8200
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.9012]
_cell_length_b [10.215... |
agm006033211 | CePr8Tb6 | data_[Tb18Ce3Pr24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ce 1.1200 1.8500 1.0800
Pr 1.1300 1.8500 1.0600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.2112]
_cell_length_b [9.2112]
_cell_length_c [21.0524]
_... |
agm002886392 | GaSc2V | data_[Sc8V4Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
V 1.6300 1.3500 0.7775
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [7.4980]
_cell_length_b [7.4980]
_cell_length_c [5.6005]
_cel... |
agm003312424 | Ga3Na2Zn2 | data_[Na4Zn4Ga6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Zn 1.6500 1.3500 0.8800
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9473]
_cell_length_b [3.8096]
_cell_length_c [7.0854]
_c... |
agm004526806 | Nd2Rh3Sn4Zn | data_[Nd2Zn1Sn4Rh3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Zn 1.6500 1.3500 0.8800
Sn 1.9600 1.4500 0.8300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.4940]
_cell_length_b [4.... |
agm003818686 | Br2ScTl | data_[Sc1Tl1Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Tl 1.6200 1.9000 1.3325
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.7652]
_cell_length_b [4.7562]
_cell_length_c [5.9709]
_ce... |
agm003666053 | CdHg7Th4 | data_[Th8Cd2Hg14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Cd 1.6900 1.5500 1.0900
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.3106]
_cell_length_b [5.2572]
_cell_length_c [9.9105]
_... |
agm002915009 | CaCr2Sb2 | data_[Ca2Cr4Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Cr 1.6600 1.4000 0.9400
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.6637]
_cell_length_b [3.6637]
_cell_length_c [15.8550]
... |
agm001040793 | CRhTm | data_[Tm4Rh4C4]
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
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [4.5209]
_cell_length_b [4.5209]
_cell_length_c [9.0073]
_ce... |
agm005211697 | GaSeTeZn | data_[Zn1Ga1Te1Se1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ga 1.8100 1.3000 0.7600
Te 2.1000 1.4000 1.2933
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.0292]
_cell_length_b [4.0... |
agm004527230 | LiPm2Rh3Sn4 | data_[Li1Pm2Sn4Rh3]
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
Sn 1.9600 1.4500 0.8300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.5518]
_cell_length_b [4.... |
agm003086927 | KSnTl | data_[K2Tl2Sn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Tl 1.6200 1.9000 1.3325
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.9290]
_cell_length_b [4.4593]
_cell_length_c [7.5260]
_ce... |
agm2000017135 | PSb | data_[Sb6P6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [17.8806]
_cell_length_b [9.1268]
_cell_length_c [6.8226]
_cell_angle_alpha [90.0000]
_cell_angl... |
agm002889042 | HgSe2Zr | data_[Zr4Hg4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Hg 2.0000 1.5000 1.2450
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [7.6540]
_cell_length_b [7.6540]
_cell_length_c [10.8485]
_... |
agm005748158 | Ac4CaDy | data_[Ca1Ac4Dy1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ac 1.1000 1.9500 1.2600
Dy 1.2200 1.7500 1.1310
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9591]
_cell_length_b [3.9591]
_cell_length_c [16.1485]
... |
agm001537852 | BiGaKSi2 | data_[K1Ga1Si2Bi1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ga 1.8100 1.3000 0.7600
Si 1.9000 1.1000 0.5400
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0324]
_cell_length_b [5.0... |
agm005104649 | BrNd2Si | data_[Nd6Si3Br3]
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
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.2129]
_cell_length_b [4.2129]
_cell_length_c [22.9483]
_ce... |
agm001591274 | CoLi2OOs | data_[Li2Co1Os1O1]
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
Os 2.2000 1.3000 0.6730
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1829]
_cell_length_b [4.1... |
agm002324009 | OsTlYb | data_[Yb4Tl4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Tl 1.6200 1.9000 1.3325
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.3445]
_cell_length_b [4.2803]
_cell_length_c [8.5235]
_ce... |
agm005964835 | AlCd3Pm3 | data_[Pm6Al2Cd6]
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
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.6301]
_cell_length_b [4.8794]
_cell_length_c [21.0102]
_c... |
agm003530783 | Be2GaPd8 | data_[Be4Ga2Pd16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Ga 1.8100 1.3000 0.7600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.0897]
_cell_length_b [3.9983]
_cell_length_c [5.8025]
_... |
mp-14058 | KMgO9P3 | data_[K2Mg2P6O18]
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
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-6c2]
_cell_length_a [6.7176]
_cell_length_b [6.7176]... |
agm004418111 | AsNiTc2 | data_[Tc4Ni2As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
Ni 1.9100 1.3500 0.7400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.7763]
_cell_length_b [2.8702]
_cell_length_c [4.4447]
_cell... |
oqmd-3412252 | BaOSSn | data_[Ba2Sn2S2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sn 1.9600 1.4500 0.8300
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.3299]
_cell_length_b [4.329... |
agm003476712 | BaPb2Pd5 | data_[Ba2Pd10Pb4]
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
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2510]
_cell_length_b [7.2984]
_cell_length_c [11.4855]
_... |
agm003141794 | GaScSr | data_[Sr4Sc4Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Sc 1.3600 1.6000 0.8850
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.5893]
_cell_length_b [11.9281]
_cell_length_c [6.4397]
_c... |
agm005745063 | NaS3U | data_[Na6U6S18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
U 1.3800 1.7500 0.9913
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [6.7942]
_cell_length_b [6.7942]
_cell_length_c [20.1638]
_cell_... |
agm006099446 | Cr5Ir6Ni | data_[Cr10Ni2Ir12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Ni 1.9100 1.3500 0.7400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.8131]
_cell_length_b [7.2927]
_cell_length_c [11.4797]
... |
agm001122841 | FNPu2 | data_[Pu2N1F1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
N 3.0400 0.6500 0.6300
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.0931]
_cell_length_b [3.0931]
_cell_length_c [6.5085]
_cell... |
agm005674574 | InZnZr | data_[Zr6Zn6In6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Zn 1.6500 1.3500 0.8800
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [13.5085]
_cell_length_b [3.4061]
_cell_length_c [7.7795]
_c... |
agm001981298 | Ni2PrU | data_[Pr3U3Ni6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
U 1.3800 1.7500 0.9913
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.7039]
_cell_length_b [3.7039]
_cell_length_c [21.5763]
_cel... |
agm003336300 | P4Rh3U2 | data_[U8P16Rh12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
P 2.1900 1.0000 0.5500
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [5.6327]
_cell_length_b [14.0047]
_cell_length_c [7.2410]
_cel... |
agm004515736 | Ga3Pt4SnY2 | data_[Y2Ga3Sn1Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ga 1.8100 1.3000 0.7600
Sn 1.9600 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.1407]
_cell_length_b [4.14... |
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