AcTm2As3
Alexandria ALEXAlex-ID: agm042289237 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_36_spg70
TmAs AcAs
2025-04-13 12:50:23
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm042289237).
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 agm042289237
data_agm042289237
_cell_length_a 14.03971
_cell_length_b 13.38638
_cell_length_c 7.33380
_cell_angle_alpha 79.47469
_cell_angle_beta 69.62325
_cell_angle_gamma 30.90207
_cell_volume 643.98909
_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
Ac1 Ac 0.91683 0.91683 0.08317 1.00000
Ac2 Ac 0.33317 0.33317 0.16683 1.00000
Ac3 Ac 0.16683 0.16683 0.33317 1.00000
Ac4 Ac 0.08317 0.08317 0.91683 1.00000
Tm1 Tm 0.00110 0.00110 0.49890 1.00000
Tm2 Tm 0.41592 0.41592 0.58408 1.00000
Tm3 Tm 0.83408 0.83408 0.66592 1.00000
Tm4 Tm 0.24890 0.24890 0.75110 1.00000
Tm5 Tm 0.75110 0.75110 0.24890 1.00000
Tm6 Tm 0.66592 0.66592 0.83408 1.00000
Tm7 Tm 0.58408 0.58408 0.41592 1.00000
Tm8 Tm 0.49890 0.49890 0.00110 1.00000
As1 As 0.67065 0.17005 0.81021 1.00000
As2 As 0.17005 0.67065 0.34909 1.00000
As3 As 0.57935 0.07995 0.43979 1.00000
As4 As 0.07995 0.57935 0.90091 1.00000
As5 As 0.51905 0.98095 0.98095 1.00000
As6 As 0.98095 0.51905 0.51905 1.00000
As7 As 0.90091 0.43979 0.07995 1.00000
As8 As 0.43979 0.90091 0.57935 1.00000
As9 As 0.34909 0.81021 0.17005 1.00000
As10 As 0.81021 0.34909 0.67065 1.00000
As11 As 0.73095 0.26905 0.26905 1.00000
As12 As 0.26905 0.73095 0.73095 1.00000
