Pm6Tl2Ni
Alexandria ALEXAlex-ID: agm003489618 · Space group: P-62m (#189)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1_spg189
Pm12TlNi5 Pm2Tl
2022-03-10 07:57:01.185043
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003489618).
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 agm003489618
data_agm003489618
_cell_length_a 3.79782
_cell_length_b 8.97699
_cell_length_c 8.97654
_cell_angle_alpha 120.00164
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 265.03170
_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 0.50000 0.59798 1.00000 1.00000
Pm2 Pm 0.50000 0.40221 0.40230 1.00000
Pm3 Pm 0.50000 0.99991 0.59770 1.00000
Pm4 Pm 0.00000 0.23489 0.00000 1.00000
Pm5 Pm 0.00000 0.76515 0.76506 1.00000
Pm6 Pm 0.00000 0.00009 0.23494 1.00000
Tl1 Tl 0.00000 0.33331 0.66679 1.00000
Tl2 Tl 0.00000 0.66652 0.33321 1.00000
Ni1 Ni 0.50000 0.99997 1.00000 1.00000
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