La2TiHPt6
Alexandria ALEXAlex-ID: agm007646007 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_369_spg155
Ti3Pt5 La15Pt32 LaH4Pt TiPt3
2024-09-20 14:15:27.195479
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007646007).
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 agm007646007
data_agm007646007
_cell_length_a 5.78074
_cell_length_b 5.86612
_cell_length_c 6.98152
_cell_angle_alpha 90.26955
_cell_angle_beta 114.47569
_cell_angle_gamma 119.53734
_cell_volume 180.82368
_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
La1 La 0.11887 0.62858 0.94291 1.00000
La2 La 0.00432 0.06986 0.27295 1.00000
Ti1 Ti 0.56575 0.34983 0.11575 1.00000
H1 H 0.99583 0.77063 0.55547 1.00000
Pt1 Pt 0.02431 0.08339 0.81078 1.00000
Pt2 Pt 0.53676 0.08358 0.81136 1.00000
Pt3 Pt 0.53192 0.58628 0.81127 1.00000
Pt4 Pt 0.60561 0.12021 0.42517 1.00000
Pt5 Pt 0.59512 0.62633 0.42484 1.00000
Pt6 Pt 0.12212 0.62665 0.42534 1.00000
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