Pm2Nd3ThTe6
Alexandria ALEXAlex-ID: agm004616601 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
PmTe NdTe ThTe
2022-06-30 12:15:35.732489
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004616601).
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 agm004616601
data_agm004616601
_cell_length_a 4.47547
_cell_length_b 8.98888
_cell_length_c 9.99068
_cell_angle_alpha 102.30533
_cell_angle_beta 102.94304
_cell_angle_gamma 90.00000
_cell_volume 382.22782
_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 0.83467 0.66907 0.66934 1.00000
Pm2 Pm 0.16533 0.33093 0.33066 1.00000
Nd1 Nd 0.50000 0.50000 0.00000 1.00000
Nd2 Nd 0.83454 0.16534 0.66907 1.00000
Nd3 Nd 0.16546 0.83466 0.33093 1.00000
Th1 Th 0.50000 0.00000 0.00000 1.00000
Te1 Te 0.33259 0.91435 0.66517 1.00000
Te2 Te 0.66818 0.58219 0.33636 1.00000
Te3 Te 0.66741 0.08565 0.33483 1.00000
Te4 Te 0.00050 0.25099 0.00101 1.00000
Te5 Te 0.99950 0.74901 0.99899 1.00000
Te6 Te 0.33182 0.41781 0.66364 1.00000
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