PrAl2TcO8
Alexandria ALEXAlex-ID: agm004906089 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_356_spg65
PrAlO3 Pr(TcO4)3 Al2O3
2023-01-01 22:25:00.434554
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004906089).
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 agm004906089
data_agm004906089
_cell_length_a 4.65359
_cell_length_b 4.64963
_cell_length_c 6.41808
_cell_angle_alpha 89.99198
_cell_angle_beta 89.99204
_cell_angle_gamma 87.73715
_cell_volume 138.76263
_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
Pr1 Pr 0.00000 0.00000 0.50000 1.00000
Al1 Al 0.49995 0.49995 0.75066 1.00000
Al2 Al 0.50005 0.50005 0.24934 1.00000
Tc1 Tc 0.00000 0.00000 0.00000 1.00000
O1 O 0.21190 0.78661 0.20401 1.00000
O2 O 0.70490 0.70613 0.00005 1.00000
O3 O 0.78809 0.21338 0.20401 1.00000
O4 O 0.78810 0.21339 0.79599 1.00000
O5 O 0.29510 0.29387 0.99995 1.00000
O6 O 0.21191 0.78662 0.79599 1.00000
O7 O 0.66349 0.66554 0.50000 1.00000
O8 O 0.33651 0.33446 0.50000 1.00000
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