TmSc(H4Pd)2
Alexandria ALEXAlex-ID: agm007387260 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_282_spg2
Sc(HPd)4 H4Pd ScH3 TmH3
2025-05-27 08:41:07
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007387260).
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 agm007387260
data_agm007387260
_cell_length_a 4.38836
_cell_length_b 5.21819
_cell_length_c 5.75286
_cell_angle_alpha 73.65320
_cell_angle_beta 67.77377
_cell_angle_gamma 64.91171
_cell_volume 109.28551
_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 0.00000 0.00000 0.00000 1.00000
Sc1 Sc 0.50000 0.50000 0.50000 1.00000
H1 H 0.96296 0.69430 0.38296 1.00000
H2 H 0.05901 0.66044 0.80273 1.00000
H3 H 0.03704 0.30570 0.61704 1.00000
H4 H 0.48188 0.66002 0.80363 1.00000
H5 H 0.51812 0.33998 0.19637 1.00000
H6 H 0.51813 0.14617 0.81772 1.00000
H7 H 0.48187 0.85383 0.18228 1.00000
H8 H 0.94099 0.33956 0.19727 1.00000
Pd1 Pd 0.74673 0.87244 0.63407 1.00000
Pd2 Pd 0.25327 0.12756 0.36593 1.00000
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