PmHoTa2O8
Alexandria ALEXAlex-ID: agm062829174 · Space group: I-4 (#82)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_5_spg82
HoTaO4 PmTaO4
2024-10-28 15:30:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm062829174).
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 agm062829174
data_agm062829174
_cell_length_a 6.73661
_cell_length_b 6.73661
_cell_length_c 6.73661
_cell_angle_alpha 133.82051
_cell_angle_beta 133.82051
_cell_angle_gamma 67.36849
_cell_volume 156.50103
_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
Pm1 Pm 0.75000 0.25000 0.50000 1.00000
Ho1 Ho 0.50000 0.50000 0.00000 1.00000
Ta1 Ta 0.25000 0.75000 0.50000 1.00000
Ta2 Ta 0.00000 0.00000 0.00000 1.00000
O1 O 0.50984 0.59095 0.41882 1.00000
O2 O 0.17213 0.09102 0.58118 1.00000
O3 O 0.33601 0.26614 0.42693 1.00000
O4 O 0.83921 0.90908 0.57307 1.00000
O5 O 0.73386 0.16079 0.06987 1.00000
O6 O 0.09092 0.66399 0.93013 1.00000
O7 O 0.90898 0.49016 0.08111 1.00000
O8 O 0.40905 0.82787 0.91889 1.00000
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