Pm3Nd2Tm5
Alexandria ALEXAlex-ID: agm003345239 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_151_spg72
Pm2Nd Nd PmTm2
2022-02-02 10:41:55.284640
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003345239).
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 agm003345239
data_agm003345239
_cell_length_a 6.79147
_cell_length_b 12.36595
_cell_length_c 12.36595
_cell_angle_alpha 44.90210
_cell_angle_beta 74.06163
_cell_angle_gamma 74.06161
_cell_volume 699.98899
_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 0.25000 0.00000 0.00000 1.00000
Pm2 Pm 0.75000 0.00000 0.00000 1.00000
Pm3 Pm 0.36765 0.38479 0.87991 1.00000
Pm4 Pm 0.63235 0.61521 0.12009 1.00000
Pm5 Pm 0.86765 0.87991 0.38479 1.00000
Pm6 Pm 0.13235 0.12009 0.61521 1.00000
Nd1 Nd 0.12681 0.76905 0.97732 1.00000
Nd2 Nd 0.87319 0.23095 0.02268 1.00000
Nd3 Nd 0.62681 0.97732 0.76905 1.00000
Nd4 Nd 0.37319 0.02268 0.23095 1.00000
Tm1 Tm 0.25000 0.50000 0.50000 1.00000
Tm2 Tm 0.75000 0.50000 0.50000 1.00000
Tm3 Tm 0.50224 0.74776 0.74776 1.00000
Tm4 Tm 0.99776 0.25224 0.25224 1.00000
Tm5 Tm 0.49776 0.25224 0.25224 1.00000
Tm6 Tm 0.00224 0.74776 0.74776 1.00000
Tm7 Tm 0.12447 0.45965 0.29141 1.00000
Tm8 Tm 0.87553 0.54035 0.70859 1.00000
Tm9 Tm 0.62447 0.29141 0.45965 1.00000
Tm10 Tm 0.37553 0.70859 0.54035 1.00000
