La5Er14
Alexandria ALEXAlex-ID: agm012116552 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A5B14_11_spg2
LaEr2 Er
2024-07-10 08:51:19.329941
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012116552).
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 agm012116552
data_agm012116552
_cell_length_a 8.02077
_cell_length_b 8.01647
_cell_length_c 10.66455
_cell_angle_alpha 93.97802
_cell_angle_beta 107.53200
_cell_angle_gamma 107.46750
_cell_volume 614.00881
_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
La1 La 0.66029 0.39644 0.97288 1.00000
La2 La 0.18148 0.71098 0.55327 1.00000
La3 La 0.50000 0.50000 0.50000 1.00000
La4 La 0.81852 0.28902 0.44673 1.00000
La5 La 0.33971 0.60356 0.02712 1.00000
Er1 Er 0.02462 0.81786 0.07918 1.00000
Er2 Er 0.97538 0.18214 0.92082 1.00000
Er3 Er 0.28829 0.97754 0.87024 1.00000
Er4 Er 0.86761 0.91968 0.60624 1.00000
Er5 Er 0.92057 0.55392 0.76359 1.00000
Er6 Er 0.38947 0.23024 0.18113 1.00000
Er7 Er 0.44668 0.87362 0.34228 1.00000
Er8 Er 0.76494 0.66415 0.28893 1.00000
Er9 Er 0.23506 0.33585 0.71107 1.00000
Er10 Er 0.61053 0.76976 0.81887 1.00000
Er11 Er 0.55332 0.12638 0.65772 1.00000
Er12 Er 0.13239 0.08032 0.39376 1.00000
Er13 Er 0.07943 0.44608 0.23641 1.00000
Er14 Er 0.71171 0.02246 0.12976 1.00000
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