Np2Cl4O5
Alexandria ALEXAlex-ID: agm005679014 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_1035_spg2
Np2Cl4O5
2023-06-22 23:41:49.911772
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005679014).
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 agm005679014
data_agm005679014
_cell_length_a 6.38203
_cell_length_b 9.53467
_cell_length_c 10.20696
_cell_angle_alpha 129.87560
_cell_angle_beta 49.22885
_cell_angle_gamma 134.42255
_cell_volume 315.89590
_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
Np1 Np 0.90914 0.08350 0.77020 1.00000
Np2 Np 0.09086 0.91650 0.22980 1.00000
Cl1 Cl 0.48656 0.32739 0.71623 1.00000
Cl2 Cl 0.73164 0.16840 0.12959 1.00000
Cl3 Cl 0.51344 0.67261 0.28377 1.00000
Cl4 Cl 0.26836 0.83160 0.87041 1.00000
O1 O 0.14937 0.71487 0.15270 1.00000
O2 O 0.06704 0.12455 0.28598 1.00000
O3 O 0.00000 0.00000 0.50000 1.00000
O4 O 0.93296 0.87545 0.71402 1.00000
O5 O 0.85063 0.28513 0.84730 1.00000
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