Er2Pa2Tc3
Alexandria ALEXAlex-ID: agm003306181 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_103_spg12
Er2PaTc2 PaTc
2022-02-04 02:27:33.969225
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003306181).
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 agm003306181
data_agm003306181
_cell_length_a 3.49224
_cell_length_b 8.74979
_cell_length_c 6.98364
_cell_angle_alpha 95.46474
_cell_angle_beta 104.46677
_cell_angle_gamma 126.68882
_cell_volume 157.26535
_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
Er1 Er 0.96758 0.78524 0.58157 1.00000
Er2 Er 0.03242 0.21476 0.41843 1.00000
Pa1 Pa 0.87060 0.27459 0.91479 1.00000
Pa2 Pa 0.12940 0.72541 0.08521 1.00000
Tc1 Tc 0.00000 0.00000 0.00000 1.00000
Tc2 Tc 0.85472 0.48168 0.26368 1.00000
Tc3 Tc 0.14528 0.51832 0.73632 1.00000
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