MgNpZn2O6
Alexandria ALEXAlex-ID: agm004950752 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_266_spg146
MgNpO4 ZnO
2022-07-30 16:17:34.956550
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004950752).
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 agm004950752
data_agm004950752
_cell_length_a 5.33135
_cell_length_b 5.33114
_cell_length_c 5.72070
_cell_angle_alpha 62.22128
_cell_angle_beta 62.21716
_cell_angle_gamma 59.99117
_cell_volume 118.67024
_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
Mg1 Mg 0.81647 0.81647 0.55056 1.00000
Np1 Np 0.31950 0.31951 0.04148 1.00000
Zn1 Zn 0.53325 0.53316 0.40029 1.00000
Zn2 Zn 0.03005 0.03026 0.90962 1.00000
O1 O 0.59273 0.21392 0.26710 1.00000
O2 O 0.21403 0.92621 0.26715 1.00000
O3 O 0.92619 0.59255 0.26724 1.00000
O4 O 0.42219 0.70890 0.77067 1.00000
O5 O 0.70888 0.09831 0.77055 1.00000
O6 O 0.09832 0.42230 0.77054 1.00000
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