NdTm3C5
Alexandria ALEXAlex-ID: agm072492218 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1078_spg8
Nd4C5 Tm3C4 Nd
2024-09-23 20:57:54.675916
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072492218).
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 agm072492218
data_agm072492218
_cell_length_a 3.80595
_cell_length_b 6.39915
_cell_length_c 7.07220
_cell_angle_alpha 116.16230
_cell_angle_beta 95.34043
_cell_angle_gamma 94.79474
_cell_volume 152.42056
_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
Nd1 Nd 0.05768 0.12013 0.99087 1.00000
Tm1 Tm 0.16487 0.00231 0.42825 1.00000
Tm2 Tm 0.73860 0.45650 0.44961 1.00000
Tm3 Tm 0.50630 0.62436 0.00094 1.00000
C1 C 0.60813 0.04507 0.19559 1.00000
C2 C 0.98666 0.58198 0.19361 1.00000
C3 C 0.98299 0.38040 0.76016 1.00000
C4 C 0.69161 0.22792 0.66991 1.00000
C5 C 0.26161 0.56167 0.31102 1.00000
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