HoTmO4
Alexandria ALEXAlex-ID: agm002298079 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_7_spg141
TmO2 HoO2
2018-12-21 19:56:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002298079).
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 agm002298079
data_agm002298079
_cell_length_a 5.66949
_cell_length_b 5.66926
_cell_length_c 6.19830
_cell_angle_alpha 116.25189
_cell_angle_beta 116.28853
_cell_angle_gamma 91.87793
_cell_volume 153.58234
_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 0.40489 0.59516 0.74948 1.00000
Tm2 Tm 0.65479 0.34503 0.24983 1.00000
Ho1 Ho 0.09527 0.90474 0.25027 1.00000
Ho2 Ho 0.84546 0.15495 0.75021 1.00000
O1 O 0.72965 0.98255 0.96601 1.00000
O2 O 0.29522 0.54244 0.08936 1.00000
O3 O 0.48350 0.23640 0.46560 1.00000
O4 O 0.04624 0.79345 0.58856 1.00000
O5 O 0.01785 0.27076 0.53438 1.00000
O6 O 0.45756 0.70477 0.41158 1.00000
O7 O 0.76309 0.51644 0.03392 1.00000
O8 O 0.20648 0.95330 0.91079 1.00000
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