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MD5: f3c7c906f2d93f649a0fdcb874e9c97a
spectral data for Ge 3d electrons (raw surface) |
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MD5: c802dc27dc63b66037e882f093d186c7
spectre of Hg 4d level |
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MD5: 7da103112e2ec8723c45ca024deef1ce
spectral data for Hg 4f electrons (raw surface) |
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MD5: 86f4c6922d736c42cda8e27f1275d7b9
spectre of Se 3d level |
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MD5: e9f6c37bfaf530730493db1e70597578
spectral data for Se 3d electrons (raw surface) |
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MD5: d98b140a3ca138e907974a554da315d0
spectre of Se 3p level |
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MD5: a7af94e7b485d792a99db5c6223156e3
spectral data for Se 3p electrons (raw surface) |
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MD5: d5e7d3d25b5f65a7330fc0207a868c27
spectre of Hg 4d level |
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MD5: 0e4a8b091bf00d2f39459d78194e8cbc
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Sukhenko Ihor, 2025, "Data for: Correlated electronic structure and local spin in lead-copper-vanadium-bromine apatite: a DMFT study", https://doi.org/10.48788/DVUA/UTUHLT, DataverseUA, V2
This dataset contains the input files, output data, and post-processing scripts associated with the DFT+DMFT study of the copper-substituted lead–vanadium bromine apatite Pb9Cu(VO4)6Br2 (arXiv:2511.04475). It supports the analysis of correlated electronic structure, spectral prop... |