Ce2Nd8Tm
Alexandria ALEXAlex-ID: agm005993412 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_259_spg8
NdTm2 Ce Nd
2023-09-25 11:47:02
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005993412).
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 agm005993412
data_agm005993412
_cell_length_a 5.64006
_cell_length_b 8.35275
_cell_length_c 9.48595
_cell_angle_alpha 116.11945
_cell_angle_beta 107.29461
_cell_angle_gamma 89.99999
_cell_volume 378.61523
_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
Ce1 Ce 0.20076 0.70071 0.40152 1.00000
Ce2 Ce 0.79924 0.29929 0.59848 1.00000
Nd1 Nd 0.63886 0.84520 0.27773 1.00000
Nd2 Nd 0.36117 0.56745 0.72235 1.00000
Nd3 Nd 0.15708 0.15712 0.31417 1.00000
Nd4 Nd 0.99999 0.29563 0.99997 1.00000
Nd5 Nd 0.84291 0.84288 0.68583 1.00000
Nd6 Nd 0.63883 0.43255 0.27765 1.00000
Nd7 Nd 0.36114 0.15480 0.72227 1.00000
Nd8 Nd 0.00001 0.70436 0.00003 1.00000
Tm1 Tm 0.50000 0.00000 0.00000 1.00000
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