Alexandra Navrotsky

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Ab initio molecular dynamics prediction and experimental validation of the 14:4 rare-earth oxide-phosphate structure
Hong, Q. J., Ushakov, S. V., Wang, L., Burkmann, K., Matteucci, J., Wu, J., Fitch, A., Witharamage, C. S., Xu, H., Opila, E. J., Glaum, R. & Navrotsky, A., May 5 2026, In: Proceedings of the National Academy of Sciences of the United States of America. 123, 18, e2604858123.
Research output: Contribution to journal › Article › peer-review

Open Access
An experimental study of synthetic Hydroxybastnäsite-(La) solubility and speciation in carbonate bearing aqueous solutions at 175–250 °C
Rose-Hull, K. G. D., Migdisov, A., Nisbet, H., Reece, M. E., Boukhalfa, H., Gysi, A., Hurtig, N., Zhu, C., Navrotsky, A. & Xu, H., Jan 15 2026, In: Geochimica et Cosmochimica Acta. 413, p. 138-146 9 p.
Research output: Contribution to journal › Article › peer-review
A-Site Solid Solution Effects on Electrical Resistivity, Oxidation Resistance, and Hardness of MAX Phases V₂(As_1–xP_x)C and V₂(As_1–xGe_x)C
Loloee, A., Scharrer, M., Geraci, T. S., Zhai, H. F., Flores, M. S., Bhatt, P., Riaz, A. A., Thakur, P. K., Lee, T. L., Regoutz, A., Brgoch, J., Khoury, J. F., Navrotsky, A. & Birkel, C. S., Feb 16 2026, In: Inorganic chemistry. 65, 6, p. 3370-3378 9 p.
Research output: Contribution to journal › Article › peer-review
Energetics of biomolecular shells in core–shell nanocomplexes
Lilova, K., Subramani, T., Montini, I., Harrison, A., Scharrer, M., Xu, H. & Navrotsky, A., Apr 14 2026, In: Proceedings of the National Academy of Sciences of the United States of America. 123, 15, e2537651123.
Research output: Contribution to journal › Article › peer-review

Open Access
Formation behavior and equilibrium thermodynamics study on the Bi₂O₃-Fe₂O₃ system for synthesis of the bismuth ferrites
Yang, D., Gong, W., Wan, J., Xiao, L., Wang, T., Li, K., Deng, J., Liu, L. & Navrotsky, A., Mar 2026, In: Ceramics International. 52, 7, p. 8683-8690 8 p.
Research output: Contribution to journal › Article › peer-review

4 Active
11 Finished

Determination of Local Structure and Phase Stability of Uranium Species in Molten Halide Salts: Linking Microscopic Structure with Macroscopic Thermodynamics
Xu, H. (PI) & Navrotsky, A. (CoI)
DOE: Idaho Field Office
10/1/23 → 9/30/26
Project: Research project
Emergent Refractory Behaviors in Earth and Extraterrestrial Materials
Hong, Q. (CoI), Xu, H. (CoI) & Navrotsky, A. (PI)
DOD-ARMY-ARL: Army Research Office (ARO)
7/15/23 → 7/14/26
Project: Research project
Collaborative Research: Rare Earth Materials Under Extreme Conditions
Navrotsky, A. (PI), Hong, Q. (CoI) & Leinenweber, K. (CoI)
National Science Foundation (NSF)
7/1/22 → 6/30/26
Project: Research project
Mid-scale RI-1 (MI:IP): Facility for Open Research in a Compressed Environment (FORCE) at Arizona State University
Till, C. (CoI), Smith, D. (CoI), Navrotsky, A. (CoI), Shim, S.-H. D. (CoI), Sharp, T. (CoI), Hervig, R. (CoI), Tongay, S. A. (CoI) & Leinenweber, K. (PI)
National Science Foundation (NSF)
10/1/21 → 9/30/26
Project: Research project
4.1.16 Cross-Cutting Thermodynamic Properties of Critical Materials - Revision - 4
Navrotsky, A. (PI)
DOE: Office of Science (OS)
11/14/23 → 6/30/25
Project: Research project

CCDC 2057056: Experimental Crystal Structure Determination
Vasileiadou, E. S. (Contributor), Wang, B. (Contributor), Spanopoulos, I. (Contributor), Hadar, I. (Contributor), Navrotsky, A. (Contributor) & Kanatzidis, M. G. (Contributor), The Cambridge Structural Database, 2021
DOI: 10.5517/ccdc.csd.cc271jnh, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc271jnh&sid=DataCite
Dataset
CCDC 2022639: Experimental Crystal Structure Determination
Novendra, N. (Contributor), Marrett, J. M. (Contributor), Katsenis, A. D. (Contributor), Titi, H. M. (Contributor), Arhangelskis, M. (Contributor), Friščić, T. (Contributor) & Navrotsky, A. (Contributor), The Cambridge Structural Database, 2020
DOI: 10.5517/ccdc.csd.cc25wqf7, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc25wqf7&sid=DataCite
Dataset
CCDC 2022638: Experimental Crystal Structure Determination
Novendra, N. (Contributor), Marrett, J. M. (Contributor), Katsenis, A. D. (Contributor), Titi, H. M. (Contributor), Arhangelskis, M. (Contributor), Friščić, T. (Contributor) & Navrotsky, A. (Contributor), The Cambridge Structural Database, 2020
DOI: 10.5517/ccdc.csd.cc25wqd6, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc25wqd6&sid=DataCite
Dataset
CCDC 2022640: Experimental Crystal Structure Determination
Novendra, N. (Contributor), Marrett, J. M. (Contributor), Katsenis, A. D. (Contributor), Titi, H. M. (Contributor), Arhangelskis, M. (Contributor), Friščić, T. (Contributor) & Navrotsky, A. (Contributor), The Cambridge Structural Database, 2020
DOI: 10.5517/ccdc.csd.cc25wqg8, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc25wqg8&sid=DataCite
Dataset
CCDC 2022641: Experimental Crystal Structure Determination
Novendra, N. (Contributor), Marrett, J. M. (Contributor), Katsenis, A. D. (Contributor), Titi, H. M. (Contributor), Arhangelskis, M. (Contributor), Friščić, T. (Contributor) & Navrotsky, A. (Contributor), The Cambridge Structural Database, 2020
DOI: 10.5517/ccdc.csd.cc25wqh9, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc25wqh9&sid=DataCite
Dataset

Alexandra Navrotsky

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Collaborations and top research areas from the last five years

Dive into details

Ab initio molecular dynamics prediction and experimental validation of the 14:4 rare-earth oxide-phosphate structure

An experimental study of synthetic Hydroxybastnäsite-(La) solubility and speciation in carbonate bearing aqueous solutions at 175–250 °C

A-Site Solid Solution Effects on Electrical Resistivity, Oxidation Resistance, and Hardness of MAX Phases V₂(As_1–xP_x)C and V₂(As_1–xGe_x)C

Energetics of biomolecular shells in core–shell nanocomplexes

Formation behavior and equilibrium thermodynamics study on the Bi₂O₃-Fe₂O₃ system for synthesis of the bismuth ferrites

Determination of Local Structure and Phase Stability of Uranium Species in Molten Halide Salts: Linking Microscopic Structure with Macroscopic Thermodynamics

Emergent Refractory Behaviors in Earth and Extraterrestrial Materials

Collaborative Research: Rare Earth Materials Under Extreme Conditions

Mid-scale RI-1 (MI:IP): Facility for Open Research in a Compressed Environment (FORCE) at Arizona State University

4.1.16 Cross-Cutting Thermodynamic Properties of Critical Materials - Revision - 4

CCDC 2057056: Experimental Crystal Structure Determination

CCDC 2022639: Experimental Crystal Structure Determination

CCDC 2022638: Experimental Crystal Structure Determination

CCDC 2022640: Experimental Crystal Structure Determination

CCDC 2022641: Experimental Crystal Structure Determination

Alexandra Navrotsky

Fingerprint

Collaborations and top research areas from the last five years

Research output

Projects

Datasets