La2Pm3N4
Alexandria ALEXAlex-ID: agm005690403 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_761_spg12
Pm6N5 La4N3
2023-06-27 19:14:02.281662
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690403).
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 agm005690403
data_agm005690403
_cell_length_a 3.63832
_cell_length_b 6.33918
_cell_length_c 8.32171
_cell_angle_alpha 75.33217
_cell_angle_beta 77.37294
_cell_angle_gamma 73.32331
_cell_volume 175.64739
_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 0.60412 0.17511 0.61665 1.00000
La2 La 0.39588 0.82489 0.38335 1.00000
Pm1 Pm 0.00000 0.00000 0.00000 1.00000
Pm2 Pm 0.20926 0.39972 0.18176 1.00000
Pm3 Pm 0.79074 0.60028 0.81824 1.00000
N1 N 0.80481 0.09221 0.29817 1.00000
N2 N 0.19519 0.90779 0.70183 1.00000
N3 N 0.39358 0.30571 0.90713 1.00000
N4 N 0.60642 0.69429 0.09287 1.00000
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