Ca2Mg2Np5
Alexandria ALEXAlex-ID: agm009779908 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_306_spg12
Ca CaMg2 Np
2024-03-28 23:03:24
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009779908).
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 agm009779908
data_agm009779908
_cell_length_a 5.56309
_cell_length_b 5.96290
_cell_length_c 8.55998
_cell_angle_alpha 86.07818
_cell_angle_beta 76.02018
_cell_angle_gamma 123.32327
_cell_volume 223.04443
_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
Ca1 Ca 0.26222 0.35437 0.47765 1.00000
Ca2 Ca 0.93636 0.68606 0.52196 1.00000
Mg1 Mg 0.73765 0.08530 0.29968 1.00000
Mg2 Mg 0.50682 0.00540 0.68140 1.00000
Np1 Np 0.49608 0.24503 0.02549 1.00000
Np2 Np 0.33881 0.73080 0.06507 1.00000
Np3 Np 0.04271 0.36582 0.90913 1.00000
Np4 Np 0.83132 0.63940 0.13146 1.00000
Np5 Np 0.84802 0.88782 0.88818 1.00000
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