AcLa(PmEr2)2
Alexandria ALEXAlex-ID: agm004871237 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_446_spg12
LaEr2 LaPm Ac PmEr2
2023-01-22 19:45:18.161470
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004871237).
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 agm004871237
data_agm004871237
_cell_length_a 7.28729
_cell_length_b 12.44305
_cell_length_c 12.44818
_cell_angle_alpha 145.95466
_cell_angle_beta 107.05602
_cell_angle_gamma 89.99662
_cell_volume 538.29898
_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 0.99984 0.50004 0.00005 1.00000
Ac2 Ac 0.00020 0.49991 0.49995 1.00000
La1 La 0.50020 0.49981 0.49982 1.00000
La2 La 0.00023 0.99979 0.99984 1.00000
Pm1 Pm 0.50022 0.99973 0.99987 1.00000
Pm2 Pm 0.49990 0.00011 0.50005 1.00000
Pm3 Pm 0.99993 0.00015 0.50001 1.00000
Pm4 Pm 0.49986 0.50005 1.00000 1.00000
Er1 Er 0.25438 0.75301 0.00426 1.00000
Er2 Er 0.74697 0.24559 0.49677 1.00000
Er3 Er 0.25298 0.75458 0.50339 1.00000
Er4 Er 0.74544 0.24702 0.99589 1.00000
Er5 Er 0.74851 0.75150 0.00126 1.00000
Er6 Er 0.74798 0.75208 0.49870 1.00000
Er7 Er 0.25193 0.24813 0.50139 1.00000
Er8 Er 0.25141 0.24851 0.99875 1.00000
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