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Update databases.md
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@knc6
knc6 authored Sep 5, 2024
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|-------------------|-----------------------|---------------------------------------------------------------------------------------------------------------------------------------|
| `dft_3d` | 75993 | Various 3D materials properties in JARVIS-DFT database computed with OptB88vdW and TBmBJ methods |
| `dft_2d` | 1109 | Various 2D materials properties in JARVIS-DFT database computed with OptB88vdW |
| `supercon_3d` | 1058 | 3D superconductor DFT dataset |
| `supercon_2d` | 161 | 2D superconductor DFT dataset |
| `supercon_chem` | 16414 | Superconductor chemical formula dataset |
| `vacancydb` | 464 | Vacancy formation energy dataset |
| `surfacedb` | 607 | Surface property dataset |
| `interfacedb` | 593 | Interface property dataset |
| `dft_3d_2021` | 55723 | Various 3D materials properties in JARVIS-DFT database computed with OptB88vdW and TBmBJ methods |
| `dft_2d_2021` | 1079 | Various 2D materials properties in JARVIS-DFT database computed with OptB88vdW |
| `qe_tb` | 829574 | Various 3D materials properties in JARVIS-QETB database |
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| `mp_3d_2020` | 127k | CFID descriptors for materials project |
| `mp_3d` | 84k | CFID descriptors for 84k materials project |
| `megnet2` | 133k | 133k materials and their formation energy in MP |
| `m3gnet_mpf` | 168k | 168k structures and their energy, forces and stresses in MP |
| `m3gnet_mpf_1.5mil` | 1.5 million | 1.5 million structures and their energy, forces and stresses in MP |
| `twod_matpd` | 6351 | Formation energy and bandgaps of 2D materials properties in 2DMatPedia database |
| `c2db` | 3514 | Various properties in C2DB database |
| `polymer_genome` | 1073 | Electronic bandgap and diecltric constants of crystall ine polymer in polymer genome database |
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| `AGRA_CO` | 193 | AGRA CO catalyst dataset |
| `AGRA_CHO` | 214 | AGRA CHO catalyst dataset |
| `AGRA_COOH` | 280 | AGRA COOH catalyst dataset |
| `supercon_3d` | 1058 | 3D superconductor DFT dataset |
| `supercon_2d` | 161 | 2D superconductor DFT dataset |
| `supercon_chem` | 16414 | Superconductor chemical formula dataset |
| `vacancydb` | 464 | Vacancy formation energy dataset |
| `cfid_3d` | 55723 | Various 3D materials properties in JARVIS-DFT database computed with OptB88vdW and TBmBJ methods with CFID |
| `raw_files` | 144895 | Figshare links to download raw calculations VASP files from JARVIS-DFT |

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