AcY3Tm2
Alexandria ALEXAlex-ID: agm005669087 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_857_spg15
Y5Tm YTm2 Ac
2023-08-25 09:41:45.762049
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005669087).
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 agm005669087
data_agm005669087
_cell_length_a 6.74972
_cell_length_b 6.74972
_cell_length_c 9.04030
_cell_angle_alpha 98.31652
_cell_angle_beta 98.31649
_cell_angle_gamma 94.88439
_cell_volume 400.87514
_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 0.06960 0.93040 0.25000 1.00000
Ac2 Ac 0.93040 0.06960 0.75000 1.00000
Y1 Y 0.17983 0.35723 0.51112 1.00000
Y2 Y 0.64277 0.82017 0.98888 1.00000
Y3 Y 0.82017 0.64277 0.48888 1.00000
Y4 Y 0.35723 0.17983 0.01112 1.00000
Y5 Y 0.41016 0.58984 0.25000 1.00000
Y6 Y 0.58984 0.41016 0.75000 1.00000
Tm1 Tm 0.87005 0.38263 0.12508 1.00000
Tm2 Tm 0.61737 0.12995 0.37492 1.00000
Tm3 Tm 0.12995 0.61737 0.87492 1.00000
Tm4 Tm 0.38263 0.87005 0.62508 1.00000
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