Ca2Ac3Pb4
Alexandria ALEXAlex-ID: agm005691291 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_146_spg12
Ca3(AcPb2)2 Ac5Pb4
2023-06-26 19:17:35.959499
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005691291).
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 agm005691291
data_agm005691291
_cell_length_a 5.34297
_cell_length_b 7.12478
_cell_length_c 9.35096
_cell_angle_alpha 105.38730
_cell_angle_beta 106.60012
_cell_angle_gamma 90.00002
_cell_volume 327.79435
_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
Ca1 Ca 0.66245 0.06903 0.32489 1.00000
Ca2 Ca 0.33755 0.93097 0.67511 1.00000
Ac1 Ac 0.12400 0.58590 0.24799 1.00000
Ac2 Ac 0.87600 0.41410 0.75201 1.00000
Ac3 Ac 0.00000 0.00000 0.00000 1.00000
Pb1 Pb 0.49353 0.70898 0.98705 1.00000
Pb2 Pb 0.23782 0.26489 0.47563 1.00000
Pb3 Pb 0.50647 0.29102 0.01295 1.00000
Pb4 Pb 0.76218 0.73511 0.52437 1.00000
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