ErNp4P5
Alexandria ALEXAlex-ID: agm006106830 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_34_spg71
ErNp3P4 NpP
2023-10-17 21:23:10
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006106830).
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 agm006106830
data_agm006106830
_cell_length_a 3.96104
_cell_length_b 5.59960
_cell_length_c 10.48279
_cell_angle_alpha 105.49090
_cell_angle_beta 100.89039
_cell_angle_gamma 90.00000
_cell_volume 219.71590
_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 0.00000 0.00000 0.00000 1.00000
Np1 Np 0.40097 0.40097 0.80194 1.00000
Np2 Np 0.79971 0.79971 0.59942 1.00000
Np3 Np 0.20029 0.20029 0.40058 1.00000
Np4 Np 0.59903 0.59903 0.19806 1.00000
P1 P 0.60129 0.10129 0.20259 1.00000
P2 P 0.80088 0.30088 0.60176 1.00000
P3 P 0.19912 0.69912 0.39824 1.00000
P4 P 0.00000 0.50000 0.00000 1.00000
P5 P 0.39871 0.89871 0.79741 1.00000
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