LiPm2TmSe5
Alexandria ALEXAlex-ID: agm005156796 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_220_spg36
LiTmSe2 Pm2Se3
2023-01-09 16:54:01.970918
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005156796).
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 agm005156796
data_agm005156796
_cell_length_a 4.10843
_cell_length_b 8.83058
_cell_length_c 12.39174
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 103.45168
_cell_volume 437.23650
_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
Li1 Li 0.51413 0.02826 0.98092 1.00000
Li2 Li 0.48587 0.97174 0.48092 1.00000
Pm1 Pm 0.87402 0.74805 0.79623 1.00000
Pm2 Pm 0.10708 0.21417 0.68546 1.00000
Pm3 Pm 0.12598 0.25195 0.29623 1.00000
Pm4 Pm 0.89292 0.78583 0.18546 1.00000
Tm1 Tm 0.80308 0.60617 0.50300 1.00000
Tm2 Tm 0.19692 0.39383 0.00300 1.00000
Se1 Se 0.36136 0.72272 0.99781 1.00000
Se2 Se 0.69251 0.38502 0.84493 1.00000
Se3 Se 0.49999 0.99997 0.78374 1.00000
Se4 Se 0.28448 0.56896 0.66030 1.00000
Se5 Se 0.95208 0.90416 0.57159 1.00000
Se6 Se 0.63864 0.27728 0.49781 1.00000
Se7 Se 0.30749 0.61498 0.34493 1.00000
Se8 Se 0.50001 0.00003 0.28374 1.00000
Se9 Se 0.71552 0.43104 0.16030 1.00000
Se10 Se 0.04792 0.09584 0.07159 1.00000
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