Ca3Np3In4
Alexandria ALEXAlex-ID: agm008645708 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C4_28_spg38
CaIn2 Np CaIn
2024-06-28 23:18:41.360921
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008645708).
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 agm008645708
data_agm008645708
_cell_length_a 9.37226
_cell_length_b 9.37226
_cell_length_c 3.64316
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 110.12565
_cell_volume 300.47264
_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 0.83977 0.16023 0.50000 1.00000
Ca2 Ca 0.68289 0.62113 0.50000 1.00000
Ca3 Ca 0.37887 0.31711 0.50000 1.00000
Np1 Np 0.04876 0.64602 0.00000 1.00000
Np2 Np 0.35398 0.95124 0.00000 1.00000
Np3 Np 0.16281 0.83719 0.50000 1.00000
In1 In 0.67237 0.32763 0.00000 1.00000
In2 In 0.37443 0.62557 0.00000 1.00000
In3 In 0.12196 0.13584 0.00000 1.00000
In4 In 0.86416 0.87804 0.00000 1.00000
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