Tm4Fe2Se5O4
Alexandria ALEXAlex-ID: agm009603418 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C4D5_1_spg1
Tm2SeO2 FeSe FeSe2
2024-03-31 14:00:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009603418).
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 agm009603418
data_agm009603418
_cell_length_a 10.06949
_cell_length_b 10.06949
_cell_length_c 7.90047
_cell_angle_alpha 83.52272
_cell_angle_beta 83.52272
_cell_angle_gamma 22.11233
_cell_volume 299.54128
_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
Tm1 Tm 0.77954 0.77954 0.58469 1.00000
Tm2 Tm 0.78689 0.78689 0.09654 1.00000
Tm3 Tm 0.17367 0.17367 0.36195 1.00000
Tm4 Tm 0.17814 0.17814 0.88009 1.00000
Fe1 Fe 0.47968 0.47968 0.34599 1.00000
Fe2 Fe 0.96214 0.96214 0.78916 1.00000
Se1 Se 0.56176 0.56176 0.83186 1.00000
Se2 Se 0.58544 0.58544 0.12676 1.00000
Se3 Se 0.35766 0.35766 0.32743 1.00000
Se4 Se 0.37438 0.37438 0.82338 1.00000
Se5 Se 0.03051 0.03051 0.49453 1.00000
O1 O 0.21921 0.21921 0.60743 1.00000
O2 O 0.23116 0.23116 0.10768 1.00000
O3 O 0.72133 0.72133 0.35751 1.00000
O4 O 0.73357 0.73357 0.85701 1.00000
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