Ac6La2Er3
Alexandria ALEXAlex-ID: agm005606722 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C6_250_spg12
La7Er LaEr2 Ac
2023-06-12 14:04:03.370710
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005606722).
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 agm005606722
data_agm005606722
_cell_length_a 6.62533
_cell_length_b 6.59838
_cell_length_c 12.20519
_cell_angle_alpha 85.13494
_cell_angle_beta 80.27447
_cell_angle_gamma 59.86480
_cell_volume 454.82037
_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
Ac1 Ac 0.41075 0.66713 0.75557 1.00000
Ac2 Ac 0.74313 1.00000 0.75132 1.00000
Ac3 Ac 0.07788 0.33287 0.75557 1.00000
Ac4 Ac 0.25687 0.00000 0.24868 1.00000
Ac5 Ac 0.58925 0.33287 0.24443 1.00000
Ac6 Ac 0.92212 0.66713 0.24443 1.00000
La1 La 0.17077 0.65847 0.50000 1.00000
La2 La 0.82923 0.34153 0.50000 1.00000
Er1 Er 0.00000 0.00000 0.00000 1.00000
Er2 Er 0.33456 0.33087 0.00000 1.00000
Er3 Er 0.66544 0.66913 1.00000 1.00000
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