Hf3TiPb
Alexandria ALEXAlex-ID: agm005778475 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_7244_spg12
HfTi2Pb Hf8Pb Hf3Ti2Pb3
2023-07-06 03:48:51.289370
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005778475).
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 agm005778475
data_agm005778475
_cell_length_a 3.14495
_cell_length_b 7.63723
_cell_length_c 15.25648
_cell_angle_alpha 60.03801
_cell_angle_beta 128.30219
_cell_angle_gamma 128.12561
_cell_volume 222.13310
_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
Hf1 Hf 0.83982 0.44509 0.72558 1.00000
Hf2 Hf 0.57765 0.97510 0.70325 1.00000
Hf3 Hf 0.16018 0.55491 0.27442 1.00000
Hf4 Hf 0.42235 0.02490 0.29675 1.00000
Hf5 Hf 0.23679 0.68021 0.90466 1.00000
Hf6 Hf 0.76321 0.31979 0.09534 1.00000
Ti1 Ti 0.53231 0.82729 0.09560 1.00000
Ti2 Ti 0.46769 0.17271 0.90440 1.00000
Pb1 Pb 0.14216 0.73891 0.51278 1.00000
Pb2 Pb 0.85784 0.26109 0.48722 1.00000
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