Pr2Nd6Tm3Mg
Alexandria ALEXAlex-ID: agm004651663 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_178_spg12
PrNd2 NdTm2 PrNdMg2 Nd
2022-06-27 21:33:24.982586
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004651663).
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 agm004651663
data_agm004651663
_cell_length_a 6.24927
_cell_length_b 6.24927
_cell_length_c 11.88916
_cell_angle_alpha 95.04171
_cell_angle_beta 95.04171
_cell_angle_gamma 120.03305
_cell_volume 395.70814
_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
Pr1 Pr 0.33309 0.66691 0.00000 1.00000
Pr2 Pr 0.66691 0.33309 0.00000 1.00000
Nd1 Nd 0.91606 0.58574 0.74570 1.00000
Nd2 Nd 0.75336 0.75336 0.25498 1.00000
Nd3 Nd 0.08394 0.41426 0.25430 1.00000
Nd4 Nd 0.58574 0.91606 0.74570 1.00000
Nd5 Nd 0.24664 0.24664 0.74502 1.00000
Nd6 Nd 0.41426 0.08394 0.25430 1.00000
Tm1 Tm 0.16590 0.83410 0.50000 1.00000
Tm2 Tm 0.83410 0.16590 0.50000 1.00000
Tm3 Tm 0.50000 0.50000 0.50000 1.00000
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
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