La4PmIn
Alexandria ALEXAlex-ID: agm005753655 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_669_spg11
LaPm La3In
2023-07-28 14:59:38.985293
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005753655).
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 agm005753655
data_agm005753655
_cell_length_a 6.28271
_cell_length_b 7.10339
_cell_length_c 8.90655
_cell_angle_alpha 90.00000
_cell_angle_beta 88.99871
_cell_angle_gamma 90.00000
_cell_volume 397.42503
_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 0.33971 0.00734 0.65962 1.00000
La2 La 0.66029 0.99266 0.34038 1.00000
La3 La 0.66029 0.50734 0.34038 1.00000
La4 La 0.33971 0.49266 0.65962 1.00000
La5 La 0.00000 0.50000 0.00000 1.00000
La6 La 0.00000 0.00000 0.00000 1.00000
La7 La 0.52027 0.25000 0.98229 1.00000
La8 La 0.47973 0.75000 0.01771 1.00000
Pm1 Pm 0.84172 0.75000 0.66782 1.00000
Pm2 Pm 0.15828 0.25000 0.33218 1.00000
In1 In 0.84273 0.25000 0.65444 1.00000
In2 In 0.15727 0.75000 0.34556 1.00000
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