Er2NpAs3
Alexandria ALEXAlex-ID: agm034976795 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_4_spg71
NpAs ErAs
2025-04-15 04:03:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034976795).
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 agm034976795
data_agm034976795
_cell_length_a 7.08218
_cell_length_b 7.08218
_cell_length_c 7.08218
_cell_angle_alpha 146.48334
_cell_angle_beta 131.86117
_cell_angle_gamma 59.93029
_cell_volume 144.75559
_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
Er1 Er 0.33330 0.33330 0.00000 1.00000
Er2 Er 0.66670 0.66670 0.00000 1.00000
Np1 Np 0.00000 0.00000 0.00000 1.00000
As1 As 0.83406 0.33406 0.50000 1.00000
As2 As 0.16594 0.66594 0.50000 1.00000
As3 As 0.50000 0.00000 0.50000 1.00000
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