Database stringlengths 6 13 | Reduced Formula stringlengths 1 23 | CIF stringlengths 760 15.5k |
|---|---|---|
agm001476170 | AgCCa2Rh | data_[Ca2Ag1Rh1C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ag 1.9300 1.6000 1.0867
Rh 2.2800 1.3500 0.7450
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0398]
_cell_length_b [5.0... |
agm005553283 | Cu2Dy2Ge3 | data_[Dy8Cu8Ge12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Cu 1.9000 1.3500 0.8200
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2464]
_cell_length_b [18.0656]
_cell_length_c [6.7311]
_... |
agm003802360 | As2InLi | data_[Li2In2As4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
In 1.7800 1.5500 0.9400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.5197]
_cell_length_b [3.7621]
_cell_length_c [5.6092]
_ce... |
agm006065984 | Be5GePd6 | data_[Be5Ge1Pd6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Ge 2.0100 1.2500 0.7700
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.1191]
_cell_length_b [5.7242]
_cell_length_c [6.4053]
_ce... |
agm003932853 | IrSe | data_[Ir2Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ir 2.2000 1.3500 0.7650
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.1076]
_cell_length_b [3.1076]
_cell_length_c [7.9603]
_cell_angle_alpha [90.0000]
_cell... |
oqmd-7217398 | CoMoPd2 | data_[Co4Mo4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Mo 2.1600 1.4500 0.7750
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.1176]
_cell_length_b [6.1176]
_cell_length_c [6.1176]
_c... |
agm002686374 | In2OsSb | data_[In8Sb4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Sb 2.0500 1.4500 0.8300
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9702]
_cell_length_b [6.9702]
_cell_length_c [6.9702]
_c... |
agm001334120 | GaLaSnSr | data_[Sr4La4Ga4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
La 1.1000 1.9500 1.1720
Ga 1.8100 1.3000 0.7600
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.8449]
_cell_length_b [7.... |
agm001844166 | AlEuSm | data_[Sm2Eu2Al2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Eu 1.2000 1.8500 1.1985
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.2833]
_cell_length_b [3.2833]
_cell_length_c [18.4766]
_c... |
agm005091193 | Cl6KScTl | data_[K2Sc2Tl2Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Sc 1.3600 1.6000 0.8850
Tl 1.6200 1.9000 1.3325
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [7.0893]
_cell_length_b [7.0... |
oqmd-7876944 | In2Te3 | data_[In8Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.5904]
_cell_length_b [4.2741]
_cell_length_c [11.1444]
_cell_angle_alpha [90.0000]
_cel... |
agm003019796 | Pd2Sb2Si | data_[Si2Sb4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Sb 2.0500 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.2038]
_cell_length_b [6.2038]
_cell_length_c [5.5512]
_... |
agm003716082 | Cu3GaTb | data_[Tb4Ga4Cu12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.3506]
_cell_length_b [4.3506]
_cell_length_c [20.0653]
... |
oqmd-5771319 | NdNpRe | data_[Nd4Np4Re4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Np 1.3600 1.7500 1.0000
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.7993]
_cell_length_b [6.7993]
_cell_length_c [6.7993]
_c... |
agm001383125 | ErLaLiTb | data_[Li4La4Tb4Er4]
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
Tb 1.1000 1.7500 0.9815
Er 1.2400 1.7500 1.0300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.8712]
_cell_length_b [7.... |
agm002485146 | BiGeRe3 | data_[Re3Ge1Bi1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
Ge 2.0100 1.2500 0.7700
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.6578]
_cell_length_b [4.6578]
_cell_length_c [4.6578]
_c... |
agm002713159 | Nb2RhTl | data_[Nb8Tl4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Tl 1.6200 1.9000 1.3325
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6557]
_cell_length_b [6.6557]
_cell_length_c [6.6557]
_c... |
agm004549385 | Ag2Ca2PmSn2 | data_[Ca6Pm3Ag6Sn6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Pm 1.1300 1.8500 1.1100
Ag 1.9300 1.6000 1.0867
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.8579]
_cell_length_b [4.8... |
agm004583925 | Pu2Se6TeTl2 | data_[Pu4Tl4Te2Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Tl 1.6200 1.9000 1.3325
Te 2.1000 1.4000 1.2933
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2882]
_cell_length_b [12... |
agm002522517 | AlBiMg3 | data_[Mg3Al1Bi1]
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
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.1786]
_cell_length_b [5.1786]
_cell_length_c [5.1786]
_c... |
agm005895008 | Fe2NV3 | data_[V12Fe8N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Fe 1.8300 1.4000 0.8525
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P4_132]
_cell_length_a [6.4264]
_cell_length_b [6.4264]
_cell_length_c [6.4264]
_cel... |
agm004867779 | AcHo4Pm2Tm | data_[Ac4Pm8Ho16Tm4]
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
Ho 1.2300 1.7500 1.0410
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.8914]
_cell_length_b [11... |
agm004795903 | CdHg4ScTm2 | data_[Tm6Sc3Cd3Hg12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Sc 1.3600 1.6000 0.8850
Cd 1.6900 1.5500 1.0900
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.0493]
_cell_length_b [5.... |
agm006131812 | BeFe5Ti6 | data_[Ti12Be2Fe10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Be 1.5700 1.0500 0.5900
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.1749]
_cell_length_b [12.5269]
_cell_length_c [5.8999]
... |
agm003146495 | AuLaSi | data_[La2Si2Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Si 1.9000 1.1000 0.5400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [4.3145]
_cell_length_b [4.1641]
_cell_length_c [7.8617]
_ce... |
agm005439130 | Co4TcY | data_[Y4Co16Tc4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Co 1.8800 1.3500 0.7683
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.9603]
_cell_length_b [6.9603]
_cell_length_c [6.9603]
_ce... |
agm005885610 | MnPd9Pr2 | data_[Pr2Mn1Pd9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Mn 1.5500 1.4000 0.6483
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1779]
_cell_length_b [4.1779]
_cell_length_c [12.0862]
... |
agm005657947 | Ag5Pm2Zn5 | data_[Pm2Zn5Ag5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Zn 1.6500 1.3500 0.8800
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.5477]
_cell_length_b [5.3623]
_cell_length_c [9.5273]
_ce... |
agm002663391 | CoGe2Tc | data_[Co4Tc4Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Tc 1.9000 1.3500 0.7417
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.9969]
_cell_length_b [5.9969]
_cell_length_c [5.9969]
_c... |
agm004481553 | BaBr6ClRb2 | data_[Rb4Ba2Br12Cl2]
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
Br 2.9600 1.1500 0.8825
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [9.0170]
_cell_length_b [... |
agm002412084 | B3CaF | data_[Ca1B3F1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
B 2.0400 0.8500 0.4100
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.1049]
_cell_length_b [4.1049]
_cell_length_c [4.1049]
_cell_... |
agm001958711 | In2LiPa | data_[Li3Pa3In6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Pa 1.5000 1.8000 1.0400
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.2049]
_cell_length_b [3.2049]
_cell_length_c [31.2532]
_c... |
agm005697611 | NdPdRh | data_[Nd4Pd4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Pd 2.2000 1.4000 0.8462
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.4324]
_cell_length_b [5.4906]
_cell_length_c [7.7466]
_ce... |
oqmd-4650346 | CuMgO3Y | data_[Y4Mg4Cu4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Mg 1.3100 1.5000 0.8600
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.2160]
_cell_length_b [14.163... |
agm003351773 | Pa3Pt7Si2 | data_[Pa6Si4Pt14]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0286]
_cell_length_b [4.0286]
_cell_length_c [27.8377]... |
agm004247697 | HgOsTl2 | data_[Tl8Hg4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Hg 2.0000 1.5000 1.2450
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1070]
_cell_length_b [7.1070]
_cell_length_c [7.1070]
_c... |
agm003490818 | MgSc2Sm6 | data_[Sm12Mg2Sc4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Mg 1.3100 1.5000 0.8600
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.4603]
_cell_length_b [9.8241]
_cell_length_c [3.3716]
_... |
oqmd-6810296 | DyHo2In3Ir2 | data_[Dy2Ho4In6Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ho 1.2300 1.7500 1.0410
In 1.7800 1.5500 0.9400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.6436]
_cell_length_b [13.... |
agm004638913 | Cs3FePu2Se6 | data_[Cs6Pu4Fe2Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Pu 1.2800 1.7500 0.9675
Fe 1.8300 1.4000 0.8525
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3093]
_cell_length_b [12... |
agm005159701 | Ce2MnS5U | data_[Ce8U4Mn4S20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
U 1.3800 1.7500 0.9913
Mn 1.5500 1.4000 0.6483
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.8465]
_cell_length_b [16.3... |
agm004981799 | AcLa6PmPr2 | data_[Ac4La24Pm4Pr8]
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
Pm 1.1300 1.8500 1.1100
Pr 1.1300 1.8500 1.0600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.0049]
_cell_length_b [1... |
oqmd-8493070 | Ni2O4Re | data_[Re8Ni16O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [8.3993]
_cell_length_b [8.3993]
_cell_length_c [8.3993]
_c... |
agm004438934 | Hg2SeZr | data_[Zr3Hg6Se3]
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 [R-3m]
_cell_length_a [3.4473]
_cell_length_b [3.4473]
_cell_length_c [26.8418]
_c... |
agm001064344 | BiCsTm | data_[Cs6Tm6Bi6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Tm 1.2500 1.7500 1.0950
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.0448]
_cell_length_b [5.0448]
_cell_length_c [43.5631]
_c... |
agm001423555 | BeCaSeZr2 | data_[Ca1Zr2Be1Se1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Zr 1.3300 1.5500 0.8600
Be 1.5700 1.0500 0.5900
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6983]
_cell_length_b [4... |
agm005953231 | NdPd5Sb3 | data_[Nd4Sb12Pd20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Sb 2.0500 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.5098]
_cell_length_b [14.8141]
_cell_length_c [11.2330]... |
agm003315016 | La2Nd5Pm2 | data_[La8Pm8Nd20]
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
Nd 1.1400 1.8500 1.2765
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [15.2513]
_cell_length_b [12.1924]
_cell_length_c [6.9350]
... |
agm001961630 | Sc2SmTa | data_[Sm3Sc6Ta3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Sc 1.3600 1.6000 0.8850
Ta 1.5000 1.4500 0.8200
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.2052]
_cell_length_b [3.2052]
_cell_length_c [32.4232]
_c... |
agm001517798 | MnP2SnTe | data_[Mn1Sn1Te1P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Sn 1.9600 1.4500 0.8300
Te 2.1000 1.4000 1.2933
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3063]
_cell_length_b [4.3... |
agm001121894 | NpRu2V | data_[Np1V1Ru2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
V 1.6300 1.3500 0.7775
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.9811]
_cell_length_b [2.9811]
_cell_length_c [7.1603]
_ce... |
oqmd-8948694 | AgCr2H4InO10 | data_[Cr2In1Ag1H4O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
In 1.7800 1.5500 0.9400
Ag 1.9300 1.6000 1.0867
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a ... |
oqmd-8511991 | AsOsP6 | data_[As4P24Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
As 2.1800 1.1500 0.6600
P 2.1900 1.0000 0.5500
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.3198]
_cell_length_b [8.3198]
_cell_length_c [8.3198]
_ce... |
agm003143003 | ScTlZn | data_[Sc4Tl4Zn4]
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
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.6048]
_cell_length_b [6.8281]
_cell_length_c [8.0404]
_ce... |
agm003878765 | CuOsRu | data_[Cu2Os2Ru2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Os 2.2000 1.3000 0.6730
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [2.7466]
_cell_length_b [2.7466]
_cell_length_c [10.8357]
_c... |
agm004427035 | In2PZn | data_[Zn3In6P3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
In 1.7800 1.5500 0.9400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.9047]
_cell_length_b [3.9047]
_cell_length_c [20.9352]
_cell... |
oqmd-3971413 | CdNOSb | data_[Cd4Sb4N4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Sb 2.0500 1.4500 0.8300
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pca2_1]
_cell_length_a [6.7004]
_cell_length_b [6.763... |
agm005138825 | Cu5Ho2Ni2Zn | data_[Ho4Zn2Cu10Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.9713]
_cell_length_b [... |
agm002716940 | AgORe2 | data_[Re8Ag4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
Ag 1.9300 1.6000 1.0867
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0466]
_cell_length_b [6.0466]
_cell_length_c [6.0466]
_cel... |
agm004275901 | LaMnRe | data_[La4Mn4Re4]
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
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.4716]
_cell_length_b [6.4716]
_cell_length_c [6.4716]
_c... |
agm003044706 | BeCoMn | data_[Mn4Be4Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.6483
Be 1.5700 1.0500 0.5900
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [4.2592]
_cell_length_b [3.8097]
_cell_length_c [7.1685]
_ce... |
agm006022763 | Ni6Rh8V | data_[V1Ni6Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Ni 1.9100 1.3500 0.7400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [6.9695]
_cell_length_b [6.9695]
_cell_length_c [4.9613]
_cell_... |
agm002103726 | GeNNb | data_[Nb4Ge4N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Ge 2.0100 1.2500 0.7700
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [2.9190]
_cell_length_b [11.8908]
_cell_length_c [5.2535]
_cel... |
agm005493472 | BrC3 | data_[C12Br4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [2.7324]
_cell_length_b [2.7324]
_cell_length_c [35.3474]
_cell_angle_alpha [90.0000]
_cell... |
agm001173880 | Cu4GeSb | data_[Cu16Ge4Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Ge 2.0100 1.2500 0.7700
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.1526]
_cell_length_b [7.1526]
_cell_length_c [7.1526]
_... |
agm001921629 | BeFeRhTc | data_[Be4Fe4Tc4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Fe 1.8300 1.4000 0.8525
Tc 1.9000 1.3500 0.7417
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.7965]
_cell_length_b [5.... |
agm001676160 | As2CRbSe | data_[Rb1As2C1Se1]
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
C 2.5500 0.7000 0.3000
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.6932]
_cell_length_b [5.6... |
oqmd-6416120 | Ga4K2Y | data_[K4Y2Ga8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Y 1.2200 1.8000 1.0400
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.7484]
_cell_length_b [14.2780]
_cell_length_c [4.1302]
_cell_... |
agm005729464 | Ba2Cd10K | data_[K2Ba4Cd20]
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
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [7.2473]
_cell_length_b [20.2771]
_cell_length_c [6.2992]
_ce... |
agm002997571 | MnRb2Tc2 | data_[Rb4Mn2Tc4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Mn 1.5500 1.4000 0.6483
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.0878]
_cell_length_b [6.0878]
_cell_length_c [6.3300]
_... |
agm001279943 | BaHoLa | data_[Ba1La1Ho1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
La 1.1000 1.9500 1.1720
Ho 1.2300 1.7500 1.0410
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.8279]
_cell_length_b [3.8279]
_cell_length_c [9.5630]
_ce... |
agm002666864 | CrRh2Tc | data_[Cr4Tc4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Tc 1.9000 1.3500 0.7417
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0838]
_cell_length_b [6.0838]
_cell_length_c [6.0838]
_c... |
agm005213893 | CrMoPtRu | data_[Cr1Mo1Ru1Pt1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Mo 2.1600 1.4500 0.7750
Ru 2.2000 1.3000 0.6610
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.7879]
_cell_length_b [3.8... |
agm005031294 | GeLiSnTe3 | data_[Li2Sn2Ge2Te6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sn 1.9600 1.4500 0.8300
Ge 2.0100 1.2500 0.7700
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.6734]
_cell_length_b [4... |
agm001226171 | Au2HfSn | data_[Hf1Sn1Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Sn 1.9600 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.2852]
_cell_length_b [4.2852]
_cell_length_c [4.3222]
_... |
agm005159299 | Ac2MnNaS5 | data_[Na4Ac8Mn4S20]
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
Mn 1.5500 1.4000 0.6483
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1663]
_cell_length_b [17... |
agm005090815 | Cl6NaPdTl | data_[Na2Tl2Pd2Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Tl 1.6200 1.9000 1.3325
Pd 2.2000 1.4000 0.8462
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [6.6623]
_cell_length_b [6... |
agm003929609 | ClZn | data_[Zn4Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.1590]
_cell_length_b [6.1590]
_cell_length_c [6.1590]
_cell_angle_alpha [90.0000]
_cell_... |
agm005963475 | Ac3LaTl4 | data_[Ac3La1Tl4]
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
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0932]
_cell_length_b [4.0932]
_cell_length_c [16.4062]
... |
agm001458166 | BaCl2CuNa | data_[Ba1Na1Cu1Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Na 0.9300 1.8000 1.1600
Cu 1.9000 1.3500 0.8200
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.9488]
_cell_length_b [5... |
agm003574964 | In3Nd6Sn | data_[Nd24In12Sn4]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [10.0142]
_cell_length_b [18.0381]
_cell_length_c [6.972... |
agm002757111 | Br2CsPt | data_[Cs3Pt3Br6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Pt 2.2800 1.3500 0.8050
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.3868]
_cell_length_b [4.3868]
_cell_length_c [27.0040]
_c... |
agm005633330 | TeTiZr | data_[Zr4Ti4Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ti 1.5400 1.4000 0.8517
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3486]
_cell_length_b [3.7794]
_cell_length_c [7.3808]
_c... |
oqmd-3004669 | Hg2PbSn | data_[Sn4Hg8Pb4]
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 [F-43m]
_cell_length_a [7.5631]
_cell_length_b [7.5631]
_cell_length_c [7.5631]
_c... |
agm004949662 | Li2NbO6Te | data_[Li2Nb1Te1O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Nb 1.6000 1.4500 0.8200
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [5.6859]
_cell_length_b [5.685... |
agm004457793 | RhSb | data_[Sb6Rh6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pm-3n]
_cell_length_a [7.2301]
_cell_length_b [7.2301]
_cell_length_c [7.2301]
_cell_angle_alpha [90.0000]
_cell_... |
agm003295582 | InS2 | data_[In4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6056]
_cell_length_b [22.6969]
_cell_length_c [3.6045]
_cell_angle_alpha [90.0000]
_cell_an... |
agm005077433 | BaIO6Sn | data_[Ba1Sn1I1O6]
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
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [5.5199]
_cell_length_b [5.5199]... |
agm004884153 | Al2Cl8KSr | data_[K3Sr3Al6Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Sr 0.9500 2.0000 1.3200
Al 1.6100 1.2500 0.6750
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.7777]
_cell_length_b [6.777... |
agm001101101 | La2NdY | data_[La8Nd4Y4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Nd 1.1400 1.8500 1.2765
Y 1.2200 1.8000 1.0400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.3074]
_cell_length_b [8.3074]
_cell_length_c [8.3074]
_cel... |
oqmd-2364646 | F7KVZr | data_[K4Zr4V4F28]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Zr 1.3300 1.5500 0.8600
V 1.6300 1.3500 0.7775
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pnna]
_cell_length_a [10.9305]
_cell_length_b [7.5784]... |
agm003666811 | AgPd7Tb4 | data_[Tb8Ag2Pd14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ag 1.9300 1.6000 1.0867
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6839]
_cell_length_b [5.2393]
_cell_length_c [10.4142]
... |
agm2000052750 | Cl2Ta2Te | data_[Ta2Te1Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Te 2.1000 1.4000 1.2933
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.3138]
_cell_length_b [3.6524]
_cell_length_c [21.6619]
_c... |
agm003299689 | Ni7Sn | data_[Ni28Sn4]
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
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2666]
_cell_length_b [7.2666]
_cell_length_c [7.2666]
_cell_angle_alpha [90.0000]
_cell... |
agm004721910 | Ce4Ho3LiSe8 | data_[Li3Ce12Ho9Se24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ce 1.1200 1.8500 1.0800
Ho 1.2300 1.7500 1.0410
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.1965]
_cell_length_b [8... |
agm004505128 | Ac3In2Pr3Rh | data_[Ac3Pr3In2Rh1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Pr 1.1300 1.8500 1.0600
In 1.7800 1.5500 0.9400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [9.1984]
_cell_length_b [9.... |
agm005433484 | InOs4W | data_[In4Os16W4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Os 2.2000 1.3000 0.6730
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.3203]
_cell_length_b [7.3203]
_cell_length_c [7.3203]
_ce... |
agm001089264 | CePbTm2 | data_[Ce4Tm8Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Tm 1.2500 1.7500 1.0950
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6227]
_cell_length_b [7.6227]
_cell_length_c [7.6227]
_c... |
agm003483194 | Pd2Pu6Ru | data_[Pu12Pd4Ru2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Pd 2.2000 1.4000 0.8462
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8752]
_cell_length_b [8.3112]
_cell_length_c [5.3914]
_c... |
agm003962976 | Cr2IrW | data_[Cr2Ir1W1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Ir 2.2000 1.3500 0.7650
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.6805]
_cell_length_b [4.0218]
_cell_length_c [5.2133]
_cell_a... |
agm004737131 | CaN8Pa3Sr4 | data_[Sr12Ca3Pa9N24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ca 1.0000 1.8000 1.1400
Pa 1.5000 1.8000 1.0400
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.2290]
_cell_length_b [7.2... |
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