Ran Compute MAE of a magnetic cell from a CIF

Ran Compute MAE of a magnetic cell from a CIF

Ran Compute MAE of a magnetic cell from a CIF

Ran Compute MAE of a magnetic cell from a CIF

Ran Compute MAE of a magnetic cell from a CIF

Ran Compute MAE of a magnetic cell from a CIF

Created Large-cell magnetic anisotropy energy (MAE)

Created MOFFlow-2 is live: generate metal–organic frameworks as CIFs

Created MOFFlow-2 csp certification vs paper Table 2 (500-structure slice)

Created Al (Fm-3m) - DFT relaxed

Ran DFT structure relaxation

Created Al fcc known-geometry control (exp a=4.0495 A, Fm-3m)

Created MnBi (P6_3/mmc) - DFT relaxed

Created Ge (Fd-3m) - DFT relaxed

Created Si (Fd-3m) - DFT relaxed

Ran DFT structure relaxation

Ran DFT structure relaxation

Ran DFT structure relaxation

Created MnBi NiAs-type known-geometry control (exp a=4.5335, c=6.1141 A, P6_3/mmc)

Created Ge diamond known-geometry control (exp a=5.6579 A, Fd-3m primitive)

Created Si diamond known-geometry control (exp a=5.4309 A, Fd-3m primitive)

Created PXRDnet API: crystal structures from nanocrystalline powder diffraction

Created PXRDnet best structure: NaCl (P1)

Ran Predict structures from PXRD pattern

Ran Predict structures from PXRD pattern

Ran Magnetic anisotropy energy

Ran Magnetic anisotropy energy

Ran Magnetic anisotropy energy

Ran Magnetic anisotropy energy

Ran Magnetic anisotropy energy

Ran Magnetic anisotropy energy

Created Fe3W chain cell byte-copy (exact bytes of 01af478f)

Ran Predict structures from PXRD pattern

Ran Predict structures from PXRD pattern

Created NaCl PXRD control pattern (sharp, CuKa)

Created PXRDnet API

Created [Resolved] Bug: all comment writes fail (500, missing DB function comment_thread_root)

Created MOFFlow-2 generated structures (zip)

Created MOFFlow-2 structure Zn4H32C52N2O17F4

Created MOFFlow-2 structure Cu3H14C35N5Cl5O12