Pr3Nd7Tm2
Alexandria ALEXAlex-ID: agm005608944 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_105_spg10
PrNd2 NdTm2
2023-06-13 14:42:54.562662
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005608944).
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 agm005608944
data_agm005608944
_cell_length_a 5.70511
_cell_length_b 6.32782
_cell_length_c 12.30719
_cell_angle_alpha 92.04753
_cell_angle_beta 90.00002
_cell_angle_gamma 89.99992
_cell_volume 444.01696
_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 0.50000 0.50000 0.00000 1.00000
Pr2 Pr 0.00000 0.92923 0.34002 1.00000
Pr3 Pr 1.00000 0.07077 0.65998 1.00000
Nd1 Nd 0.50000 0.24513 0.44974 1.00000
Nd2 Nd 0.50000 0.75487 0.55026 1.00000
Nd3 Nd 1.00000 0.43755 0.19035 1.00000
Nd4 Nd 0.00000 0.00000 0.00000 1.00000
Nd5 Nd 0.00000 0.56245 0.80965 1.00000
Nd6 Nd 0.50000 0.90864 0.83048 1.00000
Nd7 Nd 0.50000 0.09136 0.16952 1.00000
Tm1 Tm 0.50000 0.62762 0.27849 1.00000
Tm2 Tm 0.50000 0.37238 0.72151 1.00000
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