AcY7Tm4
Alexandria ALEXAlex-ID: agm006087366 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_181_spg2
Y5Tm YTm2 Ac
2023-08-14 22:57:15.200134
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006087366).
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 agm006087366
data_agm006087366
_cell_length_a 7.22905
_cell_length_b 9.54149
_cell_length_c 8.88803
_cell_angle_alpha 81.11258
_cell_angle_beta 90.05530
_cell_angle_gamma 40.83619
_cell_volume 389.42033
_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 0.00000 0.00000 0.00000 1.00000
Y1 Y 0.75473 0.50084 0.00130 1.00000
Y2 Y 0.24527 0.49916 0.99870 1.00000
Y3 Y 0.97369 0.28155 0.66182 1.00000
Y4 Y 0.02631 0.71845 0.33818 1.00000
Y5 Y 0.22427 0.77610 0.66070 1.00000
Y6 Y 0.50000 0.00000 0.00000 1.00000
Y7 Y 0.77573 0.22390 0.33930 1.00000
Tm1 Tm 0.53318 0.72176 0.33730 1.00000
Tm2 Tm 0.46682 0.27824 0.66270 1.00000
Tm3 Tm 0.72048 0.77961 0.66289 1.00000
Tm4 Tm 0.27952 0.22039 0.33711 1.00000
Get direct link