Ca2Tm4Pb3O2
Alexandria ALEXAlex-ID: agm004489657 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3D4_39_spg139
Ca2Tm3Pb4 Ca2Tm2Pb2O Tm5Pb3 Tm2O3
2022-06-18 04:44:52.746045
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004489657).
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 agm004489657
data_agm004489657
_cell_length_a 4.66589
_cell_length_b 4.66589
_cell_length_c 13.04655
_cell_angle_alpha 100.30087
_cell_angle_beta 100.30087
_cell_angle_gamma 90.00000
_cell_volume 274.79836
_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 0.30458 0.30458 0.60916 1.00000
Ca2 Ca 0.69542 0.69542 0.39084 1.00000
Tm1 Tm 0.41468 0.91468 0.82935 1.00000
Tm2 Tm 0.91468 0.41468 0.82935 1.00000
Tm3 Tm 0.08532 0.58532 0.17065 1.00000
Tm4 Tm 0.58532 0.08532 0.17065 1.00000
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
Pb2 Pb 0.17348 0.17348 0.34696 1.00000
Pb3 Pb 0.82652 0.82652 0.65304 1.00000
O1 O 0.40718 0.40718 0.81437 1.00000
O2 O 0.59282 0.59282 0.18563 1.00000
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