PmEr4Th
Alexandria ALEXAlex-ID: agm005736088 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1110_spg12
Er2Th PmEr2
2023-08-05 03:21:24.758661
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005736088).
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 agm005736088
data_agm005736088
_cell_length_a 3.54905
_cell_length_b 9.37259
_cell_length_c 10.64310
_cell_angle_alpha 145.10325
_cell_angle_beta 70.54331
_cell_angle_gamma 100.91071
_cell_volume 188.64878
_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
Pm1 Pm 0.49999 0.99998 0.49998 1.00000
Er1 Er 0.82935 0.66569 0.50405 1.00000
Er2 Er 0.17062 0.33428 0.49594 1.00000
Er3 Er 0.33864 0.66580 0.99455 1.00000
Er4 Er 0.66134 0.33417 0.00542 1.00000
Th1 Th 0.99999 0.99999 1.00000 1.00000
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