LiPm(BeH4)2
Alexandria ALEXAlex-ID: agm094971142 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_23_spg2
Li2BeH4 PmH3 BeH2
2025-05-28 05:09:20
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm094971142).
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 agm094971142
data_agm094971142
_cell_length_a 4.51728
_cell_length_b 4.52734
_cell_length_c 7.73998
_cell_angle_alpha 83.94025
_cell_angle_beta 112.46431
_cell_angle_gamma 124.54768
_cell_volume 119.19410
_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
Li1 Li 0.01587 0.17773 0.41076 1.00000
Pm1 Pm 0.49413 0.93395 0.94616 1.00000
Be1 Be 0.06527 0.19134 0.77078 1.00000
Be2 Be 0.19414 0.78086 0.24597 1.00000
H1 H 0.89240 0.87736 0.85710 1.00000
H2 H 0.54212 0.09219 0.22201 1.00000
H3 H 0.89188 0.38070 0.73859 1.00000
H4 H 0.30018 0.68208 0.42683 1.00000
H5 H 0.16232 0.07544 0.65198 1.00000
H6 H 0.92702 0.88342 0.21114 1.00000
H7 H 0.08087 0.51884 0.09342 1.00000
H8 H 0.43380 0.40609 0.92526 1.00000
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