Pm2NdAs3
Alexandria ALEXAlex-ID: agm005653784 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_4_spg71
PmNd3As4 Pm3NdAs4
2023-08-07 04:36:55.770326
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005653784).
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 agm005653784
data_agm005653784
_cell_length_a 4.25454
_cell_length_b 6.00659
_cell_length_c 7.35886
_cell_angle_alpha 114.08675
_cell_angle_beta 106.80267
_cell_angle_gamma 90.00000
_cell_volume 162.84908
_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
Pm1 Pm 0.66650 0.16650 0.33300 1.00000
Pm2 Pm 0.33350 0.83350 0.66700 1.00000
Nd1 Nd 0.00000 0.50000 0.00000 1.00000
As1 As 0.33225 0.33225 0.66451 1.00000
As2 As 0.00000 0.00000 0.00000 1.00000
As3 As 0.66775 0.66775 0.33549 1.00000
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