La2PmH2
Alexandria ALEXAlex-ID: agm005890561 · Space group: P6_3/mmc (#194)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_104_spg194
La7Pm LaPm3H8
2023-07-09 21:56:34.373872
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005890561).
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 agm005890561
data_agm005890561
_cell_length_a 3.77032
_cell_length_b 3.77032
_cell_length_c 17.84690
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00001
_cell_volume 219.71019
_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 0.33333 0.66667 0.58642 1.00000
La2 La 0.66667 0.33333 0.08642 1.00000
La3 La 0.66667 0.33333 0.41358 1.00000
La4 La 0.33333 0.66667 0.91358 1.00000
Pm1 Pm 0.33333 0.66667 0.25000 1.00000
Pm2 Pm 0.66667 0.33333 0.75000 1.00000
H1 H 0.00000 0.00000 0.17303 1.00000
H2 H 0.00000 0.00000 0.67303 1.00000
H3 H 0.00000 0.00000 0.82697 1.00000
H4 H 0.00000 0.00000 0.32697 1.00000
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