Ca3(NpSc)2
Alexandria ALEXAlex-ID: agm009733733 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_1647_spg12
Ca Np Sc
2024-03-23 17:26:49.723563
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009733733).
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 agm009733733
data_agm009733733
_cell_length_a 6.12167
_cell_length_b 6.12167
_cell_length_c 9.89749
_cell_angle_alpha 90.05658
_cell_angle_beta 90.05658
_cell_angle_gamma 34.16474
_cell_volume 208.29187
_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 0.00000 0.00000 0.00000 1.00000
Ca2 Ca 0.73570 0.73570 0.81954 1.00000
Ca3 Ca 0.26430 0.26430 0.18046 1.00000
Np1 Np 0.81557 0.81557 0.47561 1.00000
Np2 Np 0.18443 0.18443 0.52439 1.00000
Sc1 Sc 0.53400 0.53400 0.33536 1.00000
Sc2 Sc 0.46600 0.46600 0.66464 1.00000
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