material_id stringlengths 4 18 | formula_reduced stringlengths 1 17 | CIF stringlengths 763 1.71k | n_tokens stringclasses 445
values |
|---|---|---|---|
alex<agm002193924> | SrZnIn3 | data_[Sr2Zn2In6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Zn 1.6500 1.3500 0.8800
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.7329]
_cell_length_b [4.7329]
_cell_length_c [12.2785]
_... | 406 |
alex<agm005035120> | LiCeScS3 | data_[Li2Ce2Sc2S6]
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
Sc 1.3600 1.6000 0.8850
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.7704]
_cell_length_b [3.7... | 501 |
mp-1523 | ZrP2 | data_[Zr4P8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.5152]
_cell_length_b [3.5266]
_cell_length_c [8.8221]
_cell_angle_alpha [90.0000]
_cell_ang... | 341 |
alex<agm002200893> | Sm3Co2B2N3 | data_[Sm6Co4B4N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Co 1.8800 1.3500 0.7683
B 2.0400 0.8500 0.4100
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.5813]
_cell_length_b [3.581... | 505 |
alex<agm002223208> | PrHfN2 | data_[Pr3Hf3N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Hf 1.3000 1.5500 0.8500
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.3516]
_cell_length_b [3.3516]
_cell_length_c [17.4967]
_cel... | 376 |
alex<agm004924719> | Rb2CeAgBr6 | data_[Rb4Ce2Ag2Br12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ce 1.1200 1.8500 1.0800
Ag 1.9300 1.6000 1.0867
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.9304]
_cell_length_b [... | 505 |
alex<agm003209506> | Co2Ir | data_[Co8Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.1555]
_cell_length_b [3.6775]
_cell_length_c [7.7290]
_cell_angle_alpha [90.0000]
_cell_a... | 341 |
alex<agm002199306> | Ba3B2Pt7 | data_[Ba9B6Pt21]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
B 2.0400 0.8500 0.4100
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.7533]
_cell_length_b [5.7533]
_cell_length_c [23.9237]
_ce... | 447 |
alex<agm001375086> | TmPdPbAu | data_[Tm4Pd4Pb4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Pd 2.2000 1.4000 0.8462
Pb 2.3300 1.8000 1.1225
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.9894]
_cell_length_b [6.... | 434 |
alex<agm001126695> | Tb2PrCd | data_[Tb2Pr1Cd1]
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
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6473]
_cell_length_b [3.6473]
_cell_length_c [9.1105]
_... | 372 |
alex<agm004766458> | Rb2MnHgS4 | data_[Rb16Mn8Hg8S32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Mn 1.5500 1.4000 0.8775
Hg 2.0000 1.5000 1.2450
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [6.6557]
_cell_length_b [12.... | 444 |
alex<agm003019164> | Y2ZrSi2 | data_[Y4Zr2Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Zr 1.3300 1.5500 0.8600
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.3013]
_cell_length_b [7.3013]
_cell_length_c [4.1592]
_ce... | 373 |
alex<agm004629611> | PrDy6Y3Sc2 | data_[Pr2Dy12Y6Sc4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Dy 1.2200 1.7500 1.1310
Y 1.2200 1.8000 1.0400
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1027]
_cell_length_b [10.5... | 506 |
alex<agm001832138> | TbScCd | data_[Tb2Sc2Cd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Sc 1.3600 1.6000 0.8850
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.4632]
_cell_length_b [3.4632]
_cell_length_c [12.9306]
_c... | 372 |
alex<agm002055495> | KCl | data_[K2Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.3907]
_cell_length_b [4.3907]
_cell_length_c [7.7564]
_cell_angle_alpha [90.0000]
_cell... | 309 |
mp-1219768 | Rb2BaBr4 | data_[Rb8Ba4Br16]
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
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [10.1423]
_cell_length_b [10.1423]
_cell_length_c [10.3209... | 380 |
mp-8016 | AlCuSe2 | data_[Al4Cu4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.6427]
_cell_length_b [5.6427]
_cell_length_c [11.1428]
_... | 373 |
alex<agm004573662> | Rb2Ag2PdCl6 | data_[Rb4Ag4Pd2Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ag 1.9300 1.6000 1.0867
Pd 2.2000 1.4000 0.8462
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.5627]
_cell_length_b [7... | 473 |
alex<agm001194326> | TmZr5 | data_[Tm2Zr10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Zr 1.3300 1.5500 0.8600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.6058]
_cell_length_b [13.7354]
_cell_length_c [4.5667]
_cell_angle_alpha [90.0000]
_cell... | 377 |
alex<agm002220834> | HoMgNi2 | data_[Ho2Mg2Ni4]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.3921]
_cell_length_b [4.3921]
_cell_length_c [8.2024]... | 373 |
alex<agm002298699> | Ca2YbSbO6 | data_[Ca6Yb3Sb3O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Yb 1.1000 1.7500 1.0840
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.8251]
_cell_length_b [5.825... | 442 |
mp-769002 | Li2BiO3 | data_[Li8Bi4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [5.5902]
_cell_length_b [9.5460]
_cell_length_c [5.6655]
_cell_... | 473 |
alex<agm004602193> | YHo2Zr3N6 | data_[Y2Ho4Zr6N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ho 1.2300 1.7500 1.0410
Zr 1.3300 1.5500 0.8600
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.7796]
_cell_length_b [10.022... | 506 |
alex<agm004962496> | Li2MgMnCl6 | data_[Li6Mg3Mn3Cl18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mg 1.3100 1.5000 0.8600
Mn 1.5500 1.4000 0.8775
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.3801]
_cell_length_b [6.38... | 506 |
alex<agm004914872> | CsNa2HfI8 | data_[Cs1Na2Hf1I8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Na 0.9300 1.8000 1.1600
Hf 1.3000 1.5500 0.8500
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.7738]
_cell_length_b [10.64... | 502 |
alex<agm004786386> | Ag2TeAuSe4 | data_[Ag8Te4Au4Se16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Te 2.1000 1.4000 1.2933
Au 2.5400 1.3500 1.0700
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.5453]
_cell_length_b [1... | 506 |
alex<agm004828885> | Sr2HoScS4 | data_[Sr2Ho1Sc1S4]
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
Sc 1.3600 1.6000 0.8850
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8664]
_cell_length_b [3.990... | 502 |
alex<agm003381009> | Li4Pr3Pb4 | data_[Li8Pr6Pb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Pr 1.1300 1.8500 1.0600
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.8156]
_cell_length_b [4.9235]
_cell_length_c [30.4771]
_c... | 473 |
alex<agm003141977> | HfScAu | data_[Hf4Sc4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Sc 1.3600 1.6000 0.8850
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.2747]
_cell_length_b [3.3128]
_cell_length_c [4.9402]
_c... | 371 |
alex<agm003302748> | Li15(CaMg)2 | data_[Li45Ca6Mg6]
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 [R-3m]
_cell_length_a [10.0365]
_cell_length_b [10.0365]
_cell_length_c [14.7899]... | 451 |
alex<agm004958186> | YTl(InCl3)2 | data_[Y2Tl2In4Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Tl 1.6200 1.9000 1.3325
In 1.7800 1.5500 0.9400
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.3407]
_cell_length_b [8.... | 507 |
alex<agm003587082> | K3TlHg8 | data_[K9Tl3Hg24]
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
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.3534]
_cell_length_b [6.3534]
_cell_length_c [32.2043]
_cel... | 543 |
alex<agm002170721> | ErAlO3 | data_[Er6Al6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Al 1.6100 1.2500 0.6750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [5.2808]
_cell_length_b [5.2808]
_cell_length_c [12.6579]
_ce... | 377 |
alex<agm003774700> | CuPd6W | data_[Cu1Pd6W1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cu 1.9000 1.3500 0.8200
Pd 2.2000 1.4000 0.8462
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9336]
_cell_length_b [3.9336]
_cell_length_c [7.7342]
_ce... | 438 |
alex<agm001315918> | NdYAlCd | data_[Nd4Y4Al4Cd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Y 1.2200 1.8000 1.0400
Al 1.6100 1.2500 0.6750
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.4884]
_cell_length_b [7.48... | 434 |
alex<agm002151318> | Ce2GaAg | data_[Ce8Ga4Ag4]
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
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4044]
_cell_length_b [7.4044]
_cell_length_c [7.4044]
_c... | 372 |
alex<agm004855207> | Y4Er2MgSc | data_[Y4Er2Mg1Sc1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Er 1.2400 1.7500 1.0300
Mg 1.3100 1.5000 0.8600
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9671]
_cell_length_b [4.9... | 469 |
alex<agm005061585> | NaHfZrS4 | data_[Na4Hf4Zr4S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Hf 1.3000 1.5500 0.8500
Zr 1.3300 1.5500 0.8600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.6643]
_cell_length_b [7.71... | 470 |
alex<agm003191633> | BeReIr2 | data_[Be1Re1Ir2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Re 1.9000 1.3500 0.7125
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.7738]
_cell_length_b [2.7738]
_cell_length_c [6.6730]
_... | 371 |
alex<agm001199689> | CaLaGa2 | data_[Ca1La1Ga2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
La 1.1000 1.9500 1.1720
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.2349]
_cell_length_b [5.2349]
_cell_length_c [3.8347]
_... | 372 |
alex<agm004510614> | Sm2AlNi4Ge3 | data_[Sm2Al1Ni4Ge3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Al 1.6100 1.2500 0.6750
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.1142]
_cell_length_b [4.... | 536 |
alex<agm003585178> | Y3Zn8Ag | data_[Y9Zn24Ag3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Zn 1.6500 1.3500 0.8800
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.3765]
_cell_length_b [5.3765]
_cell_length_c [26.7963]
_cel... | 542 |
alex<agm004792463> | YAl2GaNi4 | data_[Y3Al6Ga3Ni12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Al 1.6100 1.2500 0.6750
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.0723]
_cell_length_b [4.07... | 475 |
alex<agm001027580> | PrTlCu | data_[Pr2Tl2Cu2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Tl 1.6200 1.9000 1.3325
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.0975]
_cell_length_b [5.0975]
_cell_length_c [6.4956]... | 372 |
alex<agm001102408> | PrBeAu3 | data_[Pr1Be1Au3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Be 1.5700 1.0500 0.5900
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.6497]
_cell_length_b [4.6497]
_cell_length_c [4.6497]
_c... | 372 |
alex<agm002295109> | LuNi2Sn | data_[Lu2Ni4Sn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.3389]
_cell_length_b [4.3389]
_cell_length_c [8.4138]... | 373 |
alex<agm002360691> | Sm2ZnPd2 | data_[Sm4Zn2Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Zn 1.6500 1.3500 0.8800
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.5123]
_cell_length_b [7.5123]
_cell_length_c [3.9724]
_... | 373 |
alex<agm002266766> | Tb2InCu2 | data_[Tb4In2Cu4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.2600]
_cell_length_b [13.9761]
_cell_length_c [3.6194]
_c... | 373 |
alex<agm004658597> | Ce2Sm(DyTm2)3 | data_[Ce4Sm2Dy6Tm12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Sm 1.1700 1.8500 1.2290
Dy 1.2200 1.7500 1.1310
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1285]
_cell_length_b [10... | 509 |
alex<agm002324287> | SmZn2Au | data_[Sm4Zn8Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Zn 1.6500 1.3500 0.8800
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.5992]
_cell_length_b [10.0871]
_cell_length_c [6.8442]
_c... | 372 |
alex<agm001373081> | LiDyScAu | data_[Li4Dy4Sc4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Dy 1.2200 1.7500 1.1310
Sc 1.3600 1.6000 0.8850
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.0149]
_cell_length_b [7.... | 434 |
alex<agm002249500> | TbAlBr | data_[Tb2Al2Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Al 1.6100 1.2500 0.6750
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.2300]
_cell_length_b [4.2300]
_cell_length_c [11.4559]
_... | 373 |
alex<agm003067847> | LaH3Ir | data_[La2H6Ir2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
H 2.2000 0.2500 0.0000
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.5048]
_cell_length_b [4.6978]
_cell_length_c [6.1225]
_cell_... | 436 |
alex<agm001160498> | La2CeLu | data_[La2Ce1Lu1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ce 1.1200 1.8500 1.0800
Lu 1.2700 1.7500 1.0010
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5666]
_cell_length_b [3.5666]
_cell_length_c [10.0818]
... | 373 |
alex<agm003639565> | TbTa4Ru5 | data_[Tb1Ta4Ru5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ta 1.5000 1.4500 0.8200
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.1661]
_cell_length_b [3.1661]
_cell_length_c [16.8734]
... | 473 |
alex<agm004807134> | BaSr2LaTl4 | data_[Ba3Sr6La3Tl12]
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
La 1.1000 1.9500 1.1720
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.8198]
_cell_length_b [5.... | 475 |
alex<agm005205147> | TbCeGeRh | data_[Tb2Ce2Ge2Rh2]
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
Ge 2.0100 1.2500 0.7700
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.3036]
_cell_length_b [4.2... | 433 |
alex<agm005052837> | BaSmGaSe4 | data_[Ba2Sm2Ga2Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sm 1.1700 1.8500 1.2290
Ga 1.8100 1.3000 0.7600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8947]
_cell_length_b [7... | 501 |
alex<agm002286119> | MgCuSi | data_[Mg2Cu2Si2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Cu 1.9000 1.3500 0.8200
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.8839]
_cell_length_b [3.8839]
_cell_length_c [6.0889]
_... | 370 |
alex<agm003649706> | Hf5ReRh4 | data_[Hf5Re1Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Re 1.9000 1.3500 0.7125
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.3224]
_cell_length_b [3.3224]
_cell_length_c [15.8994]
... | 473 |
alex<agm005129648> | Be2GeRu5W2 | data_[Be4Ge2Ru10W4]
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
Ru 2.2000 1.3000 0.6610
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.3330]
_cell_length_b [9.... | 472 |
alex<agm004806095> | ErHf2AlIr4 | data_[Er3Hf6Al3Ir12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Hf 1.3000 1.5500 0.8500
Al 1.6100 1.2500 0.6750
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.5367]
_cell_length_b [4.... | 475 |
alex<agm001090439> | EuTmTl2 | data_[Eu4Tm4Tl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Tm 1.2500 1.7500 1.0950
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7835]
_cell_length_b [7.7835]
_cell_length_c [7.7835]
_c... | 372 |
alex<agm003526432> | Hf2TiH8 | data_[Hf4Ti2H16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ti 1.5400 1.4000 0.8517
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.7266]
_cell_length_b [3.2005]
_cell_length_c [4.7115]
_ce... | 475 |
alex<agm004902774> | Sc2NbBiO8 | data_[Sc4Nb2Bi2O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Nb 1.6000 1.4500 0.8200
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.7585]
_cell_length_b [6.99... | 503 |
alex<agm004599740> | Na3Y(ErSe3)2 | data_[Na6Y2Er4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Y 1.2200 1.8000 1.0400
Er 1.2400 1.7500 1.0300
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1444]
_cell_length_b [12.3... | 508 |
alex<agm004963515> | CsK2SmI6 | data_[Cs3K6Sm3I18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
K 0.8200 2.2000 1.5200
Sm 1.1700 1.8500 1.2290
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.8940]
_cell_length_b [8.8940]
... | 507 |
alex<agm005021114> | ErGa2CuNi | data_[Er2Ga4Cu2Ni2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.0888]
_cell_length_b [4.... | 435 |
alex<agm003479176> | Nd2AlPd5 | data_[Nd4Al2Pd10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Al 1.6100 1.2500 0.6750
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [6.2696]
_cell_length_b [6.2696]
_cell_length_c [8.2447]
_c... | 408 |
alex<agm003765868> | Li6CuPd | data_[Li6Cu1Pd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cu 1.9000 1.3500 0.8200
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pm-3]
_cell_length_a [4.9124]
_cell_length_b [4.9124]
_cell_length_c [4.9124]
_ce... | 372 |
alex<agm002146740> | RbCuI3 | data_[Rb4Cu4I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Cu 1.9000 1.3500 0.8200
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.7565]
_cell_length_b [7.9312]
_cell_length_c [8.4551]
_ce... | 441 |
alex<agm004577803> | Cs2Li2MgF6 | data_[Cs6Li6Mg3F18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Li 0.9800 1.4500 0.9000
Mg 1.3100 1.5000 0.8600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.0032]
_cell_length_b [6.00... | 444 |
alex<agm003605521> | BaSrLi | data_[Ba4Sr4Li4]
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
Li 0.9800 1.4500 0.9000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.9141]
_cell_length_b [4.6523]
_cell_length_c [7.1178]
_c... | 372 |
alex<agm005140951> | Ta2Be2GaFe5 | data_[Ta4Be4Ga2Fe10]
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
Ga 1.8100 1.3000 0.7600
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.6380]
_cell_length_b [... | 472 |
alex<agm003676621> | Tb5SmSe6 | data_[Tb10Sm2Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Sm 1.1700 1.8500 1.2290
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1337]
_cell_length_b [12.3248]
_cell_length_c [7.1047]
... | 477 |
alex<agm001104306> | Eu3IrPb | data_[Eu3Ir1Pb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Ir 2.2000 1.3500 0.7650
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.5558]
_cell_length_b [5.5558]
_cell_length_c [5.5558]
_c... | 372 |
alex<agm004802063> | PrSc(ZnAu2)2 | data_[Pr3Sc3Zn6Au12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Sc 1.3600 1.6000 0.8850
Zn 1.6500 1.3500 0.8800
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.5954]
_cell_length_b [4.... | 477 |
alex<agm001173535> | NbCr4W | data_[Nb4Cr16W4]
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
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.8895]
_cell_length_b [6.8895]
_cell_length_c [6.8895]
_ce... | 375 |
alex<agm001194957> | Nb5Cr | data_[Nb10Cr2]
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
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.7184]
_cell_length_b [13.4495]
_cell_length_c [3.2591]
_cell_angle_alpha [90.0000]
_cell... | 377 |
mp-3955 | AlPO4 | data_[Al3P3O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P3_221]
_cell_length_a [5.0550]
_cell_length_b [5.0550]
_cell_length_c [11.1644]
_ce... | 409 |
alex<agm001152902> | Pr2HgRh | data_[Pr2Hg1Rh1]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7233]
_cell_length_b [3.7233]
_cell_length_c [7.4482]
_... | 372 |
alex<agm003629874> | TiReB2 | data_[Ti2Re2B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Re 1.9000 1.3500 0.7125
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.0599]
_cell_length_b [3.1536]
_cell_length_c [8.3760]
_cell... | 403 |
alex<agm004583233> | Cs2Tl2HgF6 | data_[Cs4Tl4Hg2F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Tl 1.6200 1.9000 1.3325
Hg 2.0000 1.5000 1.2450
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2970]
_cell_length_b [12.4... | 473 |
alex<agm004862914> | Tb2NdSm4Sc | data_[Tb2Nd1Sm4Sc1]
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
Sm 1.1700 1.8500 1.2290
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0622]
_cell_length_b [5... | 470 |
alex<agm003163882> | K2CdAu | data_[K2Cd1Au1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Cd 1.6900 1.5500 1.0900
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.6705]
_cell_length_b [5.6705]
_cell_length_c [4.4010]
_ce... | 372 |
alex<agm003477852> | Nd5GaAg2 | data_[Nd20Ga4Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ga 1.8100 1.3000 0.7600
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.6701]
_cell_length_b [7.6701]
_cell_length_c [15.8182]... | 410 |
alex<agm003762700> | CdPdBr6 | data_[Cd3Pd3Br18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Pd 2.2000 1.4000 0.8462
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.6444]
_cell_length_b [6.6444]
_cell_length_c [18.0014]
_c... | 378 |
alex<agm005156664> | LiSm2InSe5 | data_[Li4Sm8In4Se20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sm 1.1700 1.8500 1.2290
In 1.7800 1.5500 0.9400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0956]
_cell_length_b [... | 604 |
alex<agm003315784> | Sc5(TlSn)2 | data_[Sc20Tl8Sn8]
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
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [14.7667]
_cell_length_b [7.7861]
_cell_length_c [7.6861]
_... | 411 |
alex<agm001235398> | CeHO | data_[Ce4H4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.5239]
_cell_length_b [5.5239]
_cell_length_c [5.5239]
_cell_... | 371 |
alex<agm005070261> | RbTmMgBr6 | data_[Rb2Tm2Mg2Br12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Tm 1.2500 1.7500 1.0950
Mg 1.3100 1.5000 0.8600
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [7.1187]
_cell_length_b [7... | 440 |
alex<agm002159783> | Mg2Pd | data_[Mg8Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.3693]
_cell_length_b [6.3693]
_cell_length_c [5.7116]
_cell_angle_alpha [90.0000]
_cell... | 309 |
alex<agm004971043> | TmIn2AgCl6 | data_[Tm2In4Ag2Cl12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
In 1.7800 1.5500 0.9400
Ag 1.9300 1.6000 1.0867
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.2722]
_cell_length_b [... | 505 |
alex<agm002201388> | BaBr2 | data_[Ba1Br2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.9768]
_cell_length_b [4.9768]
_cell_length_c [6.6239]
_cell_angle_alpha [90.0000]
_cell_... | 310 |
alex<agm004489237> | Tb2Sc4Si3O2 | data_[Tb4Sc8Si6O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Sc 1.3600 1.6000 0.8850
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2560]
_cell_length_b [4.2... | 472 |
alex<agm002962274> | Zr(BeIr)2 | data_[Zr2Be4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Be 1.5700 1.0500 0.5900
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.8070]
_cell_length_b [6.8070]
_cell_length_c [2.8467]
_... | 374 |
alex<agm004909008> | K2BiPbBr8 | data_[K2Bi1Pb1Br8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Bi 2.0200 1.6000 1.0350
Pb 2.3300 1.8000 1.1225
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.3367]
_cell_length_b [8.976... | 501 |
alex<agm003470000> | InSn2Pb5 | data_[In4Sn8Pb20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Sn 1.9600 1.4500 0.8300
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.6523]
_cell_length_b [8.6523]
_cell_length_c [13.2754]... | 410 |
alex<agm003320903> | Tm7(NiBi)2 | data_[Tm14Ni4Bi4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ni 1.9100 1.3500 0.7400
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.6724]
_cell_length_b [15.9572]
_cell_length_c [9.8817]
_... | 509 |
alex<agm004631437> | La3Pr6YHo2 | data_[La6Pr12Y2Ho4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pr 1.1300 1.8500 1.0600
Y 1.2200 1.8000 1.0400
Ho 1.2300 1.7500 1.0410
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.4400]
_cell_length_b [11.0... | 506 |
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