Ca2(PmTe2)3
Alexandria ALEXAlex-ID: agm005604412 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C6_107_spg12
Pm2Te3 Pm5Te6 CaTe
2023-06-12 08:32:58.982992
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005604412).
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 agm005604412
data_agm005604412
_cell_length_a 7.71933
_cell_length_b 7.71590
_cell_length_c 7.82804
_cell_angle_alpha 80.54172
_cell_angle_beta 70.82146
_cell_angle_gamma 59.98531
_cell_volume 381.31823
_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
Ca1 Ca 0.16680 0.66640 0.50000 1.00000
Ca2 Ca 0.83320 0.33360 0.50000 1.00000
Pm1 Pm 0.00000 0.00000 0.00000 1.00000
Pm2 Pm 0.33343 0.33313 1.00000 1.00000
Pm3 Pm 0.66657 0.66687 0.00000 1.00000
Te1 Te 0.41675 0.66844 0.74944 1.00000
Te2 Te 0.74861 0.00000 0.74879 1.00000
Te3 Te 0.08519 0.33156 0.74944 1.00000
Te4 Te 0.25139 1.00000 0.25121 1.00000
Te5 Te 0.58325 0.33156 0.25056 1.00000
Te6 Te 0.91481 0.66844 0.25056 1.00000
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