Er3(ThMn)2
Alexandria ALEXAlex-ID: agm008744580 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_237_spg12
Er2Th Th Er2Mn17
2024-03-06 20:34:44.600078
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008744580).
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 agm008744580
data_agm008744580
_cell_length_a 6.33758
_cell_length_b 6.33758
_cell_length_c 8.64537
_cell_angle_alpha 68.45984
_cell_angle_beta 68.45984
_cell_angle_gamma 33.50704
_cell_volume 177.03960
_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
Er1 Er 0.00000 0.00000 0.50000 1.00000
Er2 Er 0.87779 0.87779 0.91933 1.00000
Er3 Er 0.12221 0.12221 0.08067 1.00000
Th1 Th 0.33769 0.33769 0.30226 1.00000
Th2 Th 0.66231 0.66231 0.69774 1.00000
Mn1 Mn 0.68877 0.68877 0.28837 1.00000
Mn2 Mn 0.31123 0.31123 0.71163 1.00000
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