Sr2CaTl7Pb2
Alexandria ALEXAlex-ID: agm004593676 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D7_153_spg12
Sr4CaTl15 CaTl2Pb Sr2(TlPb)3
2022-06-25 10:13:44.729362
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004593676).
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 agm004593676
data_agm004593676
_cell_length_a 4.83635
_cell_length_b 4.83635
_cell_length_c 17.27239
_cell_angle_alpha 78.70323
_cell_angle_beta 78.70323
_cell_angle_gamma 89.64918
_cell_volume 388.28456
_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
Sr1 Sr 0.77828 0.77828 0.32467 1.00000
Sr2 Sr 0.22172 0.22172 0.67533 1.00000
Ca1 Ca 0.00000 0.00000 0.00000 1.00000
Tl1 Tl 0.50000 0.50000 0.00000 1.00000
Tl2 Tl 0.24896 0.24896 0.47268 1.00000
Tl3 Tl 0.75104 0.75104 0.52732 1.00000
Tl4 Tl 0.89136 0.39273 0.15090 1.00000
Tl5 Tl 0.39273 0.89136 0.15090 1.00000
Tl6 Tl 0.60727 0.10864 0.84910 1.00000
Tl7 Tl 0.10864 0.60727 0.84910 1.00000
Pb1 Pb 0.69727 0.69727 0.71384 1.00000
Pb2 Pb 0.30273 0.30273 0.28616 1.00000
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