Ca8Er4Np
Alexandria ALEXAlex-ID: agm097341002 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1225_spg6
Ca Er Np
2025-06-20 23:58:11
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097341002).
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 agm097341002
data_agm097341002
_cell_length_a 3.68296
_cell_length_b 10.42782
_cell_length_c 12.74009
_cell_angle_alpha 103.07335
_cell_angle_beta 98.25207
_cell_angle_gamma 89.99751
_cell_volume 471.40344
_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 0.93860 0.85513 0.26103 1.00000
Ca2 Ca 0.89468 0.18944 0.17437 1.00000
Ca3 Ca 0.65700 0.38818 0.69891 1.00000
Ca4 Ca 0.56001 0.78398 0.50414 1.00000
Ca5 Ca 0.52487 0.14939 0.43465 1.00000
Ca6 Ca 0.41830 0.53127 0.21968 1.00000
Ca7 Ca 0.18180 0.72130 0.74802 1.00000
Ca8 Ca 0.27743 0.31303 0.94102 1.00000
Er1 Er 0.74502 0.01332 0.87534 1.00000
Er2 Er 0.79870 0.62973 0.98221 1.00000
Er3 Er 0.03879 0.46730 0.46185 1.00000
Er4 Er 0.14075 0.06728 0.66629 1.00000
Np1 Np 0.32405 0.89064 0.03247 1.00000
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