Pfizer's anticancer drug axitinib has 5 known neat polymorphs and 66 solvates to date. Form IV was initially targeted for development but more stable forms XXV and XLI were fortuitously discovered later during the manufacturing campaign. DSC and solubility experiments indicate the stability in this order: XLI > XXV, VI > IV > I, where the energy ordering of XXV compared to VI is uncertain. A previous CSP study ranked the relative stabilities among these forms incorrectly, with XLI predicted to have a 2.4 kcal/mol higher energy than form VI. From our CSP calculations, we correctly predicted all four Z'=1 experimentally known structures (RMSD29 within 0.13-0.29 Å in reference to CSD structures VUSDIX, VUSDIX03, VUSDIX04, VUSDIX06) among the top 20 candidate structures. Contrary to experiment, form VI was predicted to be more stable than form XLI according to the r2SCAN-D3 functional, but the energy difference decreased to within 0.2 kcal/mol using the PBE0-MBD functional. By incorporating conformer energy corrections using the ωB97X-D3/def2-TZVP functional in conjunction with r 2 SCAN-D3 crystal energies (referred to as r 2 SCAN-D3 + Δ ωB97X-D3 in Figure in SI), form XLI was correctly predicted to be the most stable form, matching experiment and a previous computational study. The temperature dependent free energy calculation indicates the stability of forms XLI and VI gets closer as temperature increases, with form XLI remaining more stable at temperatures below 200K (Fig. (m) in SI).