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Semi-local DFT tends to severely underestimate bandgaps. Please see the wiki for more info. Interactive plots. Phonon dispersion. Interactive plots Thermodynamic quantities. Data 5 doi Si Apply Gaussian smoothing: 0 eV. Interfaces 8 : doi Surfaces Reference for surface energies and properties: Scientific Data 3 : Elasticity Reference for tensor and properties: Scientific Data 2 : doi Compliance Tensor S ij 10 Pa -1 8.

Dielectric Properties Reference for tensor and properties: Scientific Data 4 : doi Similar Structures Explanation of dissimilarity measure: Documentation. Up to 5 similar elemental, binary, ternary, quaternary, etc. E hull : energy above hull per atom [eV]. Calculation Summary Elasticity Methodology. How do we arrive at this value? Why the bold text and icons? Tasks calculations with bold text have the lowest final energy per atom output amongst all tasks with the same task type for this material.

These "blessed" tasks are used for higher-level analysis. Researcher can upload and download CC-BY licensed files from all important computational materials-science codes. Materials Project. Final Magnetic Moment 0.

Decomposes To Stable. Band Gap 0. Hermann Mauguin Fd 3 m []. Point Group m 3 m. Crystal System cubic. Al mp CeO 2 mp LiGaO 2 mp C mp LiF mp SiC mp KTaO 3 mp CaCO 3 mp NdGaO 3 mp Te 2 Mo mp Bi 2 Te 3 mp MgAl 2 O 4 mp TbScO 3 mp GaN mp SiO 2 mp BaF 2 mp GdScO 3 mp TiO 2 mp Ge mp DyScO 3 mp Ag mp Wang, L. Lehtovaara, H. CAS Google Scholar. Li, X. Du, B. Wang, G. Li, G. Gao, and S. Zang Li, Z. Gao, B.

Li, P. Luo, Y. Kong, H. Liu, and S. Liu, L. Feng, H. Su, Z. Wang, Q. Zhao, X. Tung, D. Sun, and L. Huang, H. Wei, L.

Qian, and C. Zhang Zhang, S. Yang, and B. Teo Wang, H. Su, Y. Tan, S. Schein, S. Lin, W. Liu, S. Wang, W. USA , Sharma, K. Chakrahari, J. Saillard, and C. Liu Liu, Y. Lin, C. Fang, C. Latouche, S. Kahlal, and J. Saillard Kahlal, C. Liu, and J. Dhayal, J. Liao, Y. Liu, M. Chiang, S. Kahlal, J. Chang, S. Sharma, J. Liao, S. Kahlal, Y. Chiang, J. Liu, F. Alkan, Z. Wang, Z. Zhang, M. Kurmoo, Z. Yan, Q. Zhao, C. Aikens, C. Tung, and D. Sun Article Google Scholar.

Zhuang, Q. Su, M. Kurmoo, C. Google Scholar. Su, C. Wang, Y. Lin, and K. Su, S. Feng, M. Nanoscale 9 , Cheng, Z. Wu, H. Su, T. Peng, G. Li, D. Xie, H. Wang, and T. Kuang, X. Wu, R. Yu, J. Donahue, J. Huang, and C. Lu Xie, R. Yu, X. Wu, F. Wang, S. Chen, and C.

Wu, J. Zhang, and C. Dang, Y. Zheng, Y. Bai, X. Guo, P. Ma, and J. Niu Growth Des. Bai, G. Zhang, D. Dang, P. Ma, H. Gao, and J. Tian, Y. Ying, N. Lin, J. Zhang, and X. Zhou, J. Liang, C. Qin, K. Shao, F. Wang, and Z. Su Zhu, S.



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