La2(PH3)3
Alexandria ALEXAlex-ID: agm006201557 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C9_892_spg1
La2PH3 PH4 LaP
2024-02-02 09:08:07
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201557).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm006201557
data_agm006201557
_cell_length_a 7.42816
_cell_length_b 7.34049
_cell_length_c 6.10950
_cell_angle_alpha 65.58472
_cell_angle_beta 115.88042
_cell_angle_gamma 145.54739
_cell_volume 168.62168
_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 0.27401 0.69829 0.76396 1.00000
La2 La 0.63210 0.34400 0.10985 1.00000
P1 P 0.25456 0.62741 0.28939 1.00000
P2 P 0.90040 0.96514 0.99271 1.00000
P3 P 0.57639 0.33127 0.56734 1.00000
H1 H 0.21889 0.27306 0.09512 1.00000
H2 H 0.38156 0.53866 0.32122 1.00000
H3 H 0.55846 0.91949 0.41479 1.00000
H4 H 0.85479 0.63237 0.68491 1.00000
H5 H 0.87179 0.10623 0.74870 1.00000
H6 H 0.15413 0.84679 0.32044 1.00000
H7 H 0.02994 0.94540 0.89050 1.00000
H8 H 0.80011 0.20334 0.00706 1.00000
H9 H 0.49286 0.56854 0.79403 1.00000
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