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GaGeP6Sb2
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GaGeP6Sb2
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A6B2CD
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[
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VASP 5.2.2
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DFT-PBE
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[] | null |
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MD_3729522099721817188397416
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CO_8511790578094431051824925
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ABC2D6-16_PRL_2018
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[
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Dataset used to train a machine learning model to calculate density functional theory-quality formation energies of all ~2 x 106 pristine ABC2D6 elpasolite crystals that can be made up from main-group elements (up to bismuth).
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DS_0ady7a8a8n6p_0
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Mg2OSbTl6
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Mg2OSbTl6
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A6B2CD
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VASP 5.2.2
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DFT-PBE
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MD_3729522099721817188397416
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ABC2D6-16_PRL_2018
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[
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Dataset used to train a machine learning model to calculate density functional theory-quality formation energies of all ~2 x 106 pristine ABC2D6 elpasolite crystals that can be made up from main-group elements (up to bismuth).
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C2Ba6MgP
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VASP 5.2.2
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DFT-PBE
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MD_3729522099721817188397416
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ABC2D6-16_PRL_2018
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[
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Dataset used to train a machine learning model to calculate density functional theory-quality formation energies of all ~2 x 106 pristine ABC2D6 elpasolite crystals that can be made up from main-group elements (up to bismuth).
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DS_0ady7a8a8n6p_0
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ABC2D6-16_PRL_2018__Faber-Lindmaa-Lilienfeld-Armiento__DS_0ady7a8a8n6p_0
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Al2Ga6NSi
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VASP 5.2.2
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DFT-PBE
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MD_3729522099721817188397416
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PO_4047406026495592998298281
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[
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DFT-PBE
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MD_3729522099721817188397416
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DFT-PBE
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MD_3729522099721817188397416
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[
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Dataset used to train a machine learning model to calculate density functional theory-quality formation energies of all ~2 x 106 pristine ABC2D6 elpasolite crystals that can be made up from main-group elements (up to bismuth).
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DFT-PBE
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MD_3729522099721817188397416
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ABC2D6-16_PRL_2018
|
[
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Dataset used to train a machine learning model to calculate density functional theory-quality formation energies of all ~2 x 106 pristine ABC2D6 elpasolite crystals that can be made up from main-group elements (up to bismuth).
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[
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Dataset used to train a machine learning model to calculate density functional theory-quality formation energies of all ~2 x 106 pristine ABC2D6 elpasolite crystals that can be made up from main-group elements (up to bismuth).
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Dataset used to train a machine learning model to calculate density functional theory-quality formation energies of all ~2 x 106 pristine ABC2D6 elpasolite crystals that can be made up from main-group elements (up to bismuth).
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[
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DFT-PBE
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Dataset used to train a machine learning model to calculate density functional theory-quality formation energies of all ~2 x 106 pristine ABC2D6 elpasolite crystals that can be made up from main-group elements (up to bismuth).
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OS6SiSn2
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DFT-PBE
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MD_3729522099721817188397416
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DFT-PBE
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MD_3729522099721817188397416
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ABC2D6-16_PRL_2018
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[
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Dataset used to train a machine learning model to calculate density functional theory-quality formation energies of all ~2 x 106 pristine ABC2D6 elpasolite crystals that can be made up from main-group elements (up to bismuth).
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As2P6SiSn
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VASP 5.2.2
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DFT-PBE
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MD_3729522099721817188397416
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[
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CO_8621844027323039381998267
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ABC2D6-16_PRL_2018
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[
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Dataset used to train a machine learning model to calculate density functional theory-quality formation energies of all ~2 x 106 pristine ABC2D6 elpasolite crystals that can be made up from main-group elements (up to bismuth).
|
[
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MD_3729522099721817188397416
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Ba2MgNa6P
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Dataset used to train a machine learning model to calculate density functional theory-quality formation energies of all ~2 x 106 pristine ABC2D6 elpasolite crystals that can be made up from main-group elements (up to bismuth).
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ABC2D6-16_PRL_2018
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[
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Al2As6GaSn
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MD_3729522099721817188397416
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[
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VASP 5.2.2
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DFT-PBE
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MD_3729522099721817188397416
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[
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Dataset used to train a machine learning model to calculate density functional theory-quality formation energies of all ~2 x 106 pristine ABC2D6 elpasolite crystals that can be made up from main-group elements (up to bismuth).
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[
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Dataset used to train a machine learning model to calculate density functional theory-quality formation energies of all ~2 x 106 pristine ABC2D6 elpasolite crystals that can be made up from main-group elements (up to bismuth).
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Dataset used to train a machine learning model to calculate density functional theory-quality formation energies of all ~2 x 106 pristine ABC2D6 elpasolite crystals that can be made up from main-group elements (up to bismuth).
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As2S6SbSi
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MD_3729522099721817188397416
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[
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Dataset used to train a machine learning model to calculate density functional theory-quality formation energies of all ~2 x 106 pristine ABC2D6 elpasolite crystals that can be made up from main-group elements (up to bismuth).
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MD_3729522099721817188397416
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MD_3729522099721817188397416
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[
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MD_3729522099721817188397416
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Dataset used to train a machine learning model to calculate density functional theory-quality formation energies of all ~2 x 106 pristine ABC2D6 elpasolite crystals that can be made up from main-group elements (up to bismuth).
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Dataset used to train a machine learning model to calculate density functional theory-quality formation energies of all ~2 x 106 pristine ABC2D6 elpasolite crystals that can be made up from main-group elements (up to bismuth).
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Dataset used to train a machine learning model to calculate density functional theory-quality formation energies of all ~2 x 106 pristine ABC2D6 elpasolite crystals that can be made up from main-group elements (up to bismuth).
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Dataset used to train a machine learning model to calculate density functional theory-quality formation energies of all ~2 x 106 pristine ABC2D6 elpasolite crystals that can be made up from main-group elements (up to bismuth).
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[
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P6PbSTe2
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DFT-PBE
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MD_3729522099721817188397416
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ABC2D6-16_PRL_2018
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[
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Dataset used to train a machine learning model to calculate density functional theory-quality formation energies of all ~2 x 106 pristine ABC2D6 elpasolite crystals that can be made up from main-group elements (up to bismuth).
|
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DS_0ady7a8a8n6p_0
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AlAsGa6Ge2
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VASP 5.2.2
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DFT-PBE
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MD_3729522099721817188397416
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ABC2D6-16_PRL_2018
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[
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Dataset used to train a machine learning model to calculate density functional theory-quality formation energies of all ~2 x 106 pristine ABC2D6 elpasolite crystals that can be made up from main-group elements (up to bismuth).
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DS_0ady7a8a8n6p_0
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ABC2D6-16_PRL_2018__Faber-Lindmaa-Lilienfeld-Armiento__DS_0ady7a8a8n6p_0
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NPS6Sb2
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NPS6Sb2
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A6B2CD
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VASP 5.2.2
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DFT-PBE
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MD_3729522099721817188397416
| 2024-08-16T14:45:25 |
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PO_1235290807712114827975011
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[
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CO_8902056362274374780726166
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ABC2D6-16_PRL_2018
|
[
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"Alexander Lindmaa",
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] |
Dataset used to train a machine learning model to calculate density functional theory-quality formation energies of all ~2 x 106 pristine ABC2D6 elpasolite crystals that can be made up from main-group elements (up to bismuth).
|
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|
10.60732/f87a64e4
|
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DS_0ady7a8a8n6p_0
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ABC2D6-16_PRL_2018__Faber-Lindmaa-Lilienfeld-Armiento__DS_0ady7a8a8n6p_0
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