Pr4Nd2Tm5
Alexandria ALEXAlex-ID: agm005647484 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_493_spg12
Pr(NdTm3)2 NdTm2 Pr
2023-06-22 10:42:32.823333
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005647484).
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
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# CIF generated by HEAS from Alexandria entry agm005647484
data_agm005647484
_cell_length_a 3.60113
_cell_length_b 8.67710
_cell_length_c 14.55447
_cell_angle_alpha 90.66930
_cell_angle_beta 125.77262
_cell_angle_gamma 89.63236
_cell_volume 368.96533
_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 0.06501 0.20618 0.52763 1.00000
Pr2 Pr 0.23630 0.74589 0.17715 1.00000
Pr3 Pr 0.93499 0.79382 0.47237 1.00000
Pr4 Pr 0.76370 0.25411 0.82285 1.00000
Nd1 Nd 0.94165 0.65085 0.89848 1.00000
Nd2 Nd 0.05835 0.34915 0.10152 1.00000
Tm1 Tm 0.84231 0.52925 0.64884 1.00000
Tm2 Tm 0.15769 0.47075 0.35116 1.00000
Tm3 Tm 0.02714 0.92463 0.71778 1.00000
Tm4 Tm 0.50000 0.00000 0.00000 1.00000
Tm5 Tm 0.97286 0.07537 0.28222 1.00000
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