Sm2HoEr12
Alexandria ALEXAlex-ID: agm005804914 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C12_75_spg65
Sm2Er7 HoEr5
2023-07-18 10:29:41.959100
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005804914).
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 agm005804914
data_agm005804914
_cell_length_a 6.59785
_cell_length_b 6.59785
_cell_length_c 24.46233
_cell_angle_alpha 96.79782
_cell_angle_beta 83.20215
_cell_angle_gamma 65.08414
_cell_volume 942.10224
_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
Sm1 Sm 0.54060 0.95940 0.27896 1.00000
Sm2 Sm 0.04047 0.45952 0.28055 1.00000
Sm3 Sm 0.95940 0.54060 0.72104 1.00000
Sm4 Sm 0.45953 0.04048 0.71945 1.00000
Ho1 Ho 0.50016 0.99984 1.00000 1.00000
Ho2 Ho 0.99984 0.50016 0.00000 1.00000
Er1 Er 0.39453 0.60546 0.80848 1.00000
Er2 Er 0.89454 0.10547 0.80848 1.00000
Er3 Er 0.85115 0.64885 0.86640 1.00000
Er4 Er 0.05057 0.95188 0.93391 1.00000
Er5 Er 0.00302 0.99628 0.32969 1.00000
Er6 Er 0.44943 0.54812 0.06609 1.00000
Er7 Er 0.83110 0.16484 0.55523 1.00000
Er8 Er 0.50372 0.49698 0.32969 1.00000
Er9 Er 0.35201 0.14799 0.86487 1.00000
Er10 Er 0.64885 0.85115 0.13360 1.00000
Er11 Er 0.31707 0.18293 0.57370 1.00000
Er12 Er 0.66890 0.33516 0.44477 1.00000
Er13 Er 0.99628 0.00302 0.67031 1.00000
Er14 Er 0.18293 0.31707 0.42630 1.00000
Er15 Er 0.14799 0.35201 0.13513 1.00000
Er16 Er 0.67775 0.82225 0.42795 1.00000
Er17 Er 0.82225 0.67775 0.57205 1.00000
Er18 Er 0.10547 0.89454 0.19152 1.00000
Er19 Er 0.33516 0.66890 0.55523 1.00000
Er20 Er 0.49698 0.50372 0.67031 1.00000
Er21 Er 0.54812 0.44943 0.93391 1.00000
Er22 Er 0.60546 0.39453 0.19152 1.00000
Er23 Er 0.16484 0.83110 0.44477 1.00000
Er24 Er 0.95188 0.05057 0.06609 1.00000
