TmNp6HPd2
Alexandria ALEXAlex-ID: agm007699664 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_1614_spg2
Tm2HPd6 TmH2 Np
2024-05-29 12:06:15.214467
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007699664).
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 agm007699664
data_agm007699664
_cell_length_a 6.35178
_cell_length_b 6.35178
_cell_length_c 7.20871
_cell_angle_alpha 62.66643
_cell_angle_beta 62.66643
_cell_angle_gamma 49.38268
_cell_volume 190.49935
_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
Tm1 Tm 0.50000 0.50000 0.00000 1.00000
Np1 Np 0.71103 0.71103 0.54085 1.00000
Np2 Np 0.54287 0.07172 0.79989 1.00000
Np3 Np 0.92828 0.45713 0.20011 1.00000
Np4 Np 0.07172 0.54287 0.79989 1.00000
Np5 Np 0.45713 0.92828 0.20011 1.00000
Np6 Np 0.28897 0.28897 0.45915 1.00000
H1 H 0.50000 0.50000 0.50000 1.00000
Pd1 Pd 0.02979 0.02979 0.79498 1.00000
Pd2 Pd 0.97021 0.97021 0.20502 1.00000
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