PrTh2NpAs4
Alexandria ALEXAlex-ID: agm017884978 · Space group: I-4m2 (#119)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_39_spg82
ThNp4As5 Pr2ThAs3 Th2NpAs3
2025-06-30 18:52:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017884978).
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 agm017884978
data_agm017884978
_cell_length_a 7.34091
_cell_length_b 7.34091
_cell_length_c 7.34091
_cell_angle_alpha 131.82358
_cell_angle_beta 131.82358
_cell_angle_gamma 70.50780
_cell_volume 215.25022
_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
Pr1 Pr 0.25000 0.75000 0.50000 1.00000
Th1 Th 0.00000 0.00000 0.00000 1.00000
Th2 Th 0.75000 0.25000 0.50000 1.00000
Np1 Np 0.50000 0.50000 0.00000 1.00000
As1 As 0.74724 0.74724 0.00000 1.00000
As2 As 0.25276 0.25276 0.00000 1.00000
As3 As 0.50174 0.00174 0.50000 1.00000
As4 As 0.99826 0.49826 0.50000 1.00000
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