Er2Np2Sc5
Alexandria ALEXAlex-ID: agm009790169 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_498_spg12
Er Np Sc
2024-04-06 14:57:42
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009790169).
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 agm009790169
data_agm009790169
_cell_length_a 5.57150
_cell_length_b 5.76045
_cell_length_c 8.17226
_cell_angle_alpha 84.75997
_cell_angle_beta 110.02060
_cell_angle_gamma 111.77129
_cell_volume 228.66431
_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
Er1 Er 0.69501 0.42685 0.84561 1.00000
Er2 Er 0.30499 0.57315 0.15439 1.00000
Np1 Np 0.56085 0.81351 0.54362 1.00000
Np2 Np 0.43915 0.18649 0.45638 1.00000
Sc1 Sc 0.93817 0.71739 0.37693 1.00000
Sc2 Sc 0.06182 0.28261 0.62307 1.00000
Sc3 Sc 0.71196 0.16558 0.21361 1.00000
Sc4 Sc 0.28804 0.83442 0.78639 1.00000
Sc5 Sc 0.00000 0.00000 0.00000 1.00000
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