Er2TmP3
Alexandria ALEXAlex-ID: agm021195701 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_935_spg12
Er3TmP4 ErTmP2
2024-11-30 12:18:47.740173
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021195701).
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 agm021195701
data_agm021195701
_cell_length_a 6.86169
_cell_length_b 6.86169
_cell_length_c 6.86087
_cell_angle_alpha 80.41771
_cell_angle_beta 99.58229
_cell_angle_gamma 60.00999
_cell_volume 263.82373
_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 0.50000 0.50000 0.50000 1.00000
Er2 Er 0.00000 0.00000 0.00000 1.00000
Er3 Er 0.83353 0.83353 0.50000 1.00000
Er4 Er 0.16647 0.16647 0.50000 1.00000
Tm1 Tm 0.66677 0.66677 0.00000 1.00000
Tm2 Tm 0.33323 0.33323 0.00000 1.00000
P1 P 0.74893 0.25107 0.24896 1.00000
P2 P 0.25107 0.74893 0.75104 1.00000
P3 P 0.08313 0.58292 0.24924 1.00000
P4 P 0.41708 0.91687 0.24924 1.00000
P5 P 0.58292 0.08313 0.75076 1.00000
P6 P 0.91687 0.41708 0.75076 1.00000
Get direct link