LaPu4As5
Alexandria ALEXAlex-ID: agm006127779 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_62_spg12
PuAs LaAs
2023-10-10 17:31:39
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006127779).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm006127779
data_agm006127779
_cell_length_a 4.18982
_cell_length_b 7.24121
_cell_length_c 9.35518
_cell_angle_alpha 75.01397
_cell_angle_beta 77.06000
_cell_angle_gamma 73.18371
_cell_volume 259.01684
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
La1 La 0.00000 0.00000 0.00000 1.00000
Pu1 Pu 0.59711 0.20415 0.60163 1.00000
Pu2 Pu 0.20175 0.39197 0.20453 1.00000
Pu3 Pu 0.79825 0.60803 0.79547 1.00000
Pu4 Pu 0.40289 0.79585 0.39837 1.00000
As1 As 0.20333 0.90275 0.69060 1.00000
As2 As 0.79667 0.09725 0.30940 1.00000
As3 As 0.39238 0.31944 0.89580 1.00000
As4 As 0.00000 0.50000 0.50000 1.00000
As5 As 0.60762 0.68056 0.10420 1.00000
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