Publications [LaTeX]
Papers
International Journals
1 - A new dataset of 175k stable and metastable materials calculated with the PBEsol and SCAN functionals
J. Schmidt, H.-C. Wang, T.F.T. Cerqueira, S. Botti, and M.A.L. Marques
Sci. Data 9, 64 (2022)
2 - Atomically thin Pythagorean tilings in two-dimensions
A.W. Huran, H.-C. Wang, A. San-Miguel, and M.A.L. Marques
J. Phys. Chem. Lett. 12, 4972-4979 (2021)
3 - Two-dimensional binary metal-oxide quasicrystal approximants
A.W. Huran, H.-C. Wang, and M.A.L. Marques
2D Mater. 8, 045002 (2021)
4 - A high-throughput study of oxynitride, oxyfluoride and nitrofluoride perovskites
H.-C. Wang, J. Schmidt, S. Botti, and M.A.L. Marques
J. Mater. Chem. A 9, 8501-8513 (2021)
5 - Finding new crystalline compounds using chemical similarity
H.-C. Wang, S. Botti, and M.A.L. Marques
NPJ Comput. Mater. 7, 12 (2021)
6 - Structure, Magnetism, and Thermal Stability of La2NiO2.5F3: A Ruddlesden–Popper Oxyfluoride Crystallizing in Space Group P42/nnm
J. Jacobs, M.A.L. Marques, H.-C. Wang, E. Dieterich, and S.G. Ebbinghaus
Inorg. Chem. 60, 13646-13657 (2021)
7 - Advanced Raman Spectroscopy of Cs2AgBiBr6 Double Perovskites and Identification of Cs3Bi2Br9 Secondary Phases
P. Pistor, M. Meyns, M. Guc, H.-C. Wang, M.A.L. Marques, X. Alcobé, A. Cabot, and V. Izquierdo-Roca
Scr. Mater. 184, 24-29 (2020)
8 - Double perovskites as p-type conducting transparent
semiconductors: A high-throughput search
Hai-Chen Wang, Paul Pistor, Miguel A. L. Marques, and Silvana Botti
J. Mater. Chem. A 7, 14705-14711 (2019)