Er5Th3Pt
Alexandria ALEXAlex-ID: agm072297136 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_347_spg8
Er2Th Er2Pt Th
2024-09-24 07:27:17.897070
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072297136).
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
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# CIF generated by HEAS from Alexandria entry agm072297136
data_agm072297136
_cell_length_a 6.45670
_cell_length_b 6.53240
_cell_length_c 6.33524
_cell_angle_alpha 93.18990
_cell_angle_beta 97.14690
_cell_angle_gamma 95.40587
_cell_volume 263.33608
_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 0.37836 0.78372 0.42423 1.00000
Er2 Er 0.07550 0.50748 0.00301 1.00000
Er3 Er 0.50942 0.19478 0.11206 1.00000
Er4 Er 0.57675 0.69283 0.93036 1.00000
Er5 Er 0.99348 0.00929 0.17164 1.00000
Th1 Th 0.79382 0.10483 0.66199 1.00000
Th2 Th 0.85770 0.57743 0.47586 1.00000
Th3 Th 0.31642 0.29416 0.58854 1.00000
Pt1 Pt 0.19023 0.89268 0.80134 1.00000
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