Density functional theory (DFT) cohesive energies, enthalpies of formation, and phase diagrams for stable and metastable crystal, quasicrystal, glass, and liquid structures across many binary and multinary alloy systems.
Ag Ag-Al Ag-Al-Ca Ag-Al-Li Ag-Al-Mg Ag-Al-Sc Ag-Au Ag-Au-Cd Ag-Au-Zn Ag-As Ag-As-Mg Ag-Bi Ag-Bi-Li Ag-Ca Ag-Cd Ag-Cd-Ce Ag-Cd-Sb Ag-Ce Ag-Ce-Cu Ag-Ce-Cu-In Ag-Ce-Mg Ag-Ce-Cu-In Ag-Cu Ag-Cu-In Ag-Ge Ag-Ge-Li Ag-Er Ag-Er-In Ag-Gd Ag-Gd-In Ag-Gd-Mg Ag-Ho Ag-Ho-In Ag-In Ag-In-La Ag-In-Li Ag-In-Mg Ag-In-Nd Ag-In-Pr Ag-In-Y Ag-La Ag-Li Ag-Li-Mg Ag-Li-Mg-Sn Ag-Li-Pb Ag-Li-Sb Ag-Li-Sn Ag-Mg Ag-Mg-Nd Ag-Mg-Sn Ag-Mg-Zn Ag-Nd Ag-Pr Ag-Sb Ag-Sc Ag-Sn Ag-Y Ag-Zn Al Al-Au Al-Au-Hf Al-Au-Mn Al-Au-Pd-Sc Al-Au-Sc Al-Au-Ti Al-B Al-B-C Al-B-Fe Al-B-Pt Al-B-Sc Al-B-Ta Al-B-Y Al-C Al-Ca Al-Ca-Cu Al-Ce Al-Ce-Co Al-Co Al-Co-Cr Al-Co-Cu Al-Co-Cu-Fe Al-Co-Cu-Fe-Ni Al-Co-Cu-Ga Al-Co-Cu-Ir Al-Co-Cu-Ir-Rh Al-Co-Cu-Ni Al-Co-Cu-Rh Al-Co-Fe Al-Co-Hf Al-Co-Fe-Mn Al-Co-Ni Al-Co-Ir Al-Co-Ir-Rh Al-Co-Mn Al-Co-Nb Al-Co-Ni Al-Co-Re Al-Co-Rh Al-Co-Ta Al-Co-Ti Al-Co-V Al-Co-Zn Al-Co-Zr Al-Cr Al-Cr-Fe Al-Cr-Fe-Mn Al-Cr-Mn Al-Cr-Ni Al-Cr-Ti Al-Cr-Ti-V Al-Cr-V Al-Cu Al-Cu-Fe Al-Cu-Fe-Ni Al-Cu-Hf Al-Cu-Ir Al-Cu-Ir-Rh Al-Cu-Li Al-Cu-Mn Al-Cu-Mn-Pd Al-Cu-Ni Al-Cu-Pd Al-Cu-Rh Al-Cu-Sc Al-Cu-Ti Al-Cu-Zr Al-Fe Al-Fe-Mn Al-Fe-Mo Al-Fe-Ni Al-Fe-Ni-Ti Al-Fe-Os Al-Fe-Ru Al-Fe-Si Al-Fe-Ti Al-Fe-V Al-Fe-Y Al-Gd Al-Gd-V Al-Ge Al-Ge-Li Al-Ge-Mo Al-Ge-Re Al-Hf Al-Hf-Nb-Ti Al-Hf-Nb-Ti-V Al-Hf-Ni Al-Hf-Pd Al-Ir Al-Ir-Li Al-Ir-Mn Al-Ir-Os Al-Ir-Os-Re Al-Ir-Re Al-Ir-Re-Si Al-Ir-Rh Al-Ir-Zn Al-Li Al-Li-Pd Al-Li-Si Al-Li-Rh Al-Li-Pt Al-Li-Pt Al-Li-Si Al-Mg Al-Mg-Zn Al-Mn Al-Mn-Ni Al-Mn-Pd Al-Mn-Pt Al-Mn-Re Al-Mn-Si Al-Mn-Ti Al-Mn-V Al-Mo Al-Nb Al-Nb-Ni Al-Nb-Ru Al-Nd Al-Nd-Ni Al-Ni Al-Ni-Sc Al-Ni-Ta Al-Ni-Ti Al-Ni-V Al-Ni-W Al-Ni-Zr Al-O Al-Os Al-Os-Re Al-Os-Ru Al-Pd Al-Pd-Re Al-Pd-Sc Al-Pd-Zr Al-Pr Al-Pr-Ti Al-Pr-V Al-Pt Al-Re Al-Re-Rh Al-Re-Si Al-Rh Al-Ru Al-Sc Al-Si Al-Ta Al-Te Al-Ti Al-Ti-V Al-Ti-Zr Al-V Al-W Al-Y Al-Zn Al-Zr As As-Ba As-Ba-Fe As-C-P-V As-C-V As-Ca As-Ca-Fe As-Ca-Co-Fe As-Cd As-Cd-Li As-Co As-Fe As-Fe-K As-Fe-Li As-Fe-Ra As-Fe-Sr As-K As-Li As-Li-Mg As-Li-Mn As-Li-Zn As-Mg As-Mn As-Mn-Pd As-Na As-Ni As-Pd As-Pd-Sn As-Ra As-Sn As-Sr As-V As-Zn Au Au-Cd Au-Hf Au-Mn Au-Pd Au-Sc Au-Ta Au-Ti Au-Zn B B-C B-C-Ce B-C-Ce-Ni B-C-Li B-C-Mo B-C-N B-C-Na B-C-P B-C-Sc B-C-Sc-Y B-C-Y B-Ca B-Ca-Ir B-Ca-Ni B-Ca-Os B-Ca-Rh B-Ce B-Ce-Cr B-Ce-Ni B-Ce-Os B-Ce-Re B-Ce-Ru B-Co B-Co-Dy B-Co-La B-Co-Mo B-Co-Nb B-Co-Sc B-Co-Ta B-Co-Y B-Cr B-Cr-Dy B-Cr-Nb B-Cr-Sc B-Cr-Ta B-Cr-Y B-Cu-Pt B-Cu-Se B-Dy B-Dy-Fe B-Dy-Ir B-Dy-Mn B-Dy-Mo B-Dy-Ni B-Dy-Os B-Dy-Re B-Dy-Rh B-Dy-Ru B-Dy-V B-Eu B-Eu-Fe B-Eu-Ir B-Eu-Ni B-Eu-Ir B-Eu-Os B-Eu-Rh B-Eu-Ru B-Fe B-Fe-Mo B-Fe-N B-Fe-Nb B-Fe-Nd B-Fe-Sc B-Fe-Ta B-Fe-Y B-Hf B-Hf-Ir B-Hf-Os B-Hf-Re B-Ir B-Ir-Na B-Ir-Sc B-Ir-Y B-La B-La-Os B-La-Re B-Li B-Li-Ni B-Mg B-Mg-Ru B-Mn B-Mn-Mo B-Mn-Ta B-Mn-Y B-Mo B-Mo-Nb B-Mo-Ni B-Mo-Ta B-Mo-Th B-Mo-Y B-N B-Na B-Nb B-Nb-Ni B-Nb-Re B-Nb-Ru B-Nd B-Ni B-Ni-Pt B-Ni-Sc B-Ni-Ta B-Ni-Y B-O B-Os B-Os-Sc B-Os-Y B-P B-Pd B-Pt B-Re B-Re-Sc B-Re-Ta B-Re-Y B-Re-Zr B-Rh B-Rh-Y B-Rh-Sc B-Ru B-Ru-Sc B-Ru-Ta B-Ru-Ti B-Ru-Y B-S B-Sc B-Se B-Ta B-Th B-Ti B-V B-V-Y B-W B-W-Y B-Y B-Zr Ba Ba-Ge Ba-In Bi Bi-Ce Bi-Ce-Pd Bi-Ce-Pt Bi-Co Bi-Co-Zr Bi-Cs Bi-Dy Bi-Dy-Ni Bi-Dy-Pd Bi-Dy-Pt Bi-Er Bi-Er-Pt Bi-F Bi-Gd Bi-Gd-Ni Bi-Gd-Pd Bi-Gd-Pt Bi-Ge-Pd Bi-Ho Bi-Ho-Ni Bi-Ho-Pd Bi-Ho-Pt Bi-K Bi-Li Bi-Li-Mg Bi-Lu Bi-Lu-Ni Bi-Mg Bi-Mg-Ni Bi-Mn Bi-Mn-Te Bi-Ni Bi-Ni-Sc Bi-Ni-Y Bi-Ni-Zr Bi-Pd Bi-Pd-Y Bi-Pd-Yb Bi-Pt Bi-Pt-Yb Bi-Rb Bi-Sc Bi-Se Bi-Te Bi-Y Bi-Yb Bi-Zr C C-Ce C-Cr C-Cr-Nb C-Fe C-Li C-Mo C-N C-Na C-Nb C-Ni C-Ni-Ta C-P C-P-V C-Sc C-Si C-Ta C-V C-Y C-Zr Ca Ca-Cd Ca-Cu Ca-Cu-Si Ca-Ge Ca-Ge-Li Ca-In Ca-Ir Ca-Li Ca-Li-Pb Ca-Li-Sn Ca-Ni Ca-Pb Ca-Pd Ca-Pt Ca-Rh Ca-Si Ca-Sn Cd Cd-Ce Cd-Cu Cd-Cu-Sb Cd-Cu-Zr Cd-Ge-Li Cd-Ge-P Cd-Li Cd-Li-P Cd-Li-Pb Cd-Li-Sb Cd-Li-Sn Cd-P Cd-Sb Cd-Zr Ce Ce-Co Ce-Cu Ce-Cu-In Ce-Fe Ce-In Ce-Li-Sn Ce-Mg Ce-Mg-Ni Ce-Mg-Zn Ce-Ni Ce-Os Ce-Pd Ce-Pt Ce-Ru Ce-Sn Co Co-Cr Co-Cr-Ga Co-Cr-Ni Co-Cr-Si Co-Cu Co-Cu-Mn-Sn Co-Cu-Pd-Sn Co-Cu-Sn Co-Dy Co-Fe Co-Fe-Ga Co-Fe-Ge Co-Fe-In Co-Fe-Mn-Si Co-Fe-Si Co-Ga Co-Ga-Hf Co-Ga-Mn Co-Ga-Nb Co-Ga-Ta Co-Ga-Ti Co-Ga-V Co-Ga-Zn Co-Ge Co-Ge-Li Co-Ge-Li-Ni Co-Ge-Mn Co-Ge-Sc Co-Ge-Ti Co-Ge-Zn Co-Hf Co-Hf-Sb Co-Hf-Sn Co-In-Mn Co-Mn Co-Mn-Ni-Sn Co-Mn-Pd-Sn Co-Mn-Rh-Sn Co-Mn-Sb Co-Mn-Si Co-Mn-Si-V Co-Mn-Sn Co-Mo Co-Mo-Ni Co-Nb Co-Nb-Si Co-Nb-Sb Co-Nb-Sn Co-Ni Co-Ni-Sc-Sn Co-Ni-Sn-Ti Co-Ni-Te Co-Re Co-Rh Co-Rh-Sn Co-Ru-Sc-Sn Co-Sb-Ta Co-Sb-Ti Co-Sb-V Co-Sb-Zr Co-Sc Co-Sc-Sn Co-Si Co-Si-Ti Co-Si-V Co-Sn Co-Sn-Ti Co-Sn-V Co-Sn-Zr Co-Te Co-Ta Co-Ti Co-V Co-W Co-Y Co-Zn Co-Zr Cr Cr-Fe Cr-Fe-Ga Cr-Fe-Si Cr-Ga Cr-Ge Cr-Hf Cr-I Cr-Mn Cr-Mo Cr-Mo-Nb Cr-Mo-Nb-V Cr-Mo-V Cr-Ni Cr-Nb Cr-Nb-Si Cr-Nb-V Cr-Mo-Nb-V Cr-Nb-Si Cr-Nb-V Cr-Re Cr-Si Cr-Ta Cr-Ti Cr-Ti-V Cr-V Cr-W Cr-W-Zr Cr-Zr Cs Cu Cu-Dy-In Cu-Er-In Cu-Fe Cu-Fe-Sn Cu-Ga Cu-Ga-Sc Cu-Ge Cu-Ge-Li Cu-Hf Cu-Hf-In Cu-Hg-Ti Cu-Hg-Zr Cu-Ho-In Cu-In Cu-In-La Cu-In-Mn Cu-In-Pr Cu-In-Sc Cu-In-Ti Cu-In-Y Cu-In-Zr Cu-Li-Sb Cu-Li-Si Cu-Li-Sn Cu-Mg-Sb Cu-Mg-Sn Cu-Mn-Ni-Sn Cu-Mn-Sb Cu-Mn-Sn Cu-Ni Cu-Ni-Sb Cu-Ni-Sn Cu-O Cu-Pd Cu-Pd-S Cu-Pt Cu-Rh-Sn Cu-S Cu-S-Sb Cu-Sb Cu-Se Cu-Si Cu-Sn Cu-Ti Cu-Zn Cu-Zn-Zr Cu-Zr Dy Dy-Fe Dy-Ir Dy-Mg Dy-Mn Dy-Ni Dy-Ni-Sb Dy-Pd Dy-Pd-Sb Dy-Pd-Sn Dy-Pt-Sb Dy-Os Dy-Re Dy-Rh Dy-Ru Er Er-In Er-In-Pd Er-Ni-Sb Er-Pd-Sb Er-Pd-Sn Er-Pt-Sb Eu Eu-Fe Eu-Ni Eu-Ir Eu-Os Eu-Rh Eu-Ru F Fe Fe-Ga Fe-Ga-Ni Fe-Ga-Os Fe-Ga-Ru Fe-Ga-Ti Fe-Ga-V Fe-Ge Fe-Mn Fe-Mn-Si Fe-Mo Fe-Mo-Si Fe-Nb Fe-Nb-Sb Fe-Ni Fe-Ni-Si Fe-Pt Fe-Ru-Si Fe-Ru-Sn Fe-Rh Fe-Sb-Ti Fe-Sb-V Fe-Sb-Zn Fe-Sc Fe-Se Fe-Si Fe-Si-V Fe-Sn-Ti Fe-Sn-V Fe-Ta Fe-Te Fe-Ti Fe-Y Fe-Zn Ga Ga-Ge-Mn Ga-Ge-Re Ga-Hf-Ni Ga-Ir Ga-Ir-Li Ga-Ir-Mn Ga-Ir-Zn Ga-Li-Mg Ga-Li-Pd Ga-Li-Pt Ga-Li-Rh Ga-Li-Ru Ga-Li-Si Ga-Mn Ga-Mn-Ni Ga-Mn-Pt Ga-Mn-Rh Ga-Mn-V Ga-Mo-Si Ga-Nb-Ni Ga-Ni Ga-Ni-Sc Ga-Ni-Ta Ga-Ni-Ti Ga-Ni-V Ga-Ni-Zr Ga-Os Ga-Pd-Sc Ga-Re Ga-Re-Rh Ga-Rh Ga-Rh-Ti Ga-Rh-Zn Ga-Ru Gd Gd-In Gd-In-Sb Gd-Mg Gd-Ni-Sb Gd-Pt-Sb Ge Ge-Hg-Li Ge-In-Li Ge-Ir Ge-Li Ge-Li-Mg Ge-Li-Ni Ge-K Ge-Mo Ge-Na Ge-Ni-Zn Ge-Pd Ge-Pr Ge-Pr-Pt Ge-Pt-Ti Ge-Re Ge-Rh Ge-Ru Ge-Sc Hf Hf-In-Ni Hf-Ir Hf-Nb Hf-Nb-Ta-Zr Hf-Ni-Sn Hf-Pd-Sn Hf-Pt-Sn Hf-Re Hf-Rh-Sb Hf-Ru-Sb Hf-Ta Hf-W Hf-Zr Hg Hg-Pb Ho Ho-In Ho-Ni-Sb Ho-Pd-Sb Ho-Pd-Sn Ho-Pt-Sb Ho-Pt-Sn I In In-Ir-Li In-La In-Li In-Li-Pd In-Li-Pt In-Li-Rh In-Li-Ru In-Li-Sn In-Mg In-Mg-Ni In-Mn In-Mn-Ni In-Mn-Pd In-Mn-Pd-Sb In-Mn-Pd-Sb In-Mn-Ru In-Nd In-Ni-Sc In-Ni-Ti In-Ni-Zr In-Pd-Sc In-Pd-Zr In-Pt-Sc In-Pt-Y In-Pr In-Ru In-Pt-Zr In-Sn In-Sr In-Y Ir Ir-Mn Ir-Mn-Sb Ir-Mn-Si Ir-Mn-Sn Ir-Re Ir-Si Ir-Zn K K-Na K-Na-Sb K-Sb La La-Li-Ni-Sn La-Mg Li Li-Mg Li-Mg-Pd-Sb Li-Mg-Pd-Sn Li-Mg-Pt-Sb Li-Mg-Pt-Sn Li-Mg-Sb Li-Mg-Sn Li-N-Zn Li-Pb Li-Pt Li-Sb Li-Sn Lu Mg Mg-Nd Mg-Ni Mg-Ni-Sb Mg-Ni-Sn Mg-Ni-Zn Mg-Pb Mg-Pd Mg-Pd-Sb Mg-Pd-Zn Mg-Pr Mg-Pt Mg-Pt-Sb Mg-Pt-Zn Mg-Ru Mg-Sc Mg-Sc-Zn Mg-Sn Mg-Y Mg-Y-Zn Mg-Zn Mn Mn-Mo Mn-Ni Mn-Ni-Pd-Sn Mn-Ni-Rh-Sn Mn-Ni-Sb Mn-Ni-Sn Mn-Ni-Ti Mn-Pb-Rh Mn-Pd Mn-Pd-Sb Mn-Pd-Sn Mn-Pd-Te Mn-Pt-Sb Mn-Pt-Sn Mn-Rh Mn-Rh-Sb Mn-Rh-Sn Mn-Ru Mn-Ru-Si Mn-Ru-Sn Mn-Sc Mn-Si Mn-Sn Mn-Ta Mn-Y Mo Mo-Nb Mo-Nb-Ta Mo-Nb-Ta-V-W Mo-Nb-V Mo-Nb-Ta-W Mo-Nb-V Mo-Nb-W Mo-Ni Mo-Re Mo-S Mo-Si Mo-Ta Mo-Te Mo-Ta-W Mo-V Mo-W N N-Na N-Nb N-Ni N-Sc N-Ta Na Nb Nb-Ni-Sn Nb-Re Nb-Rh-Sb Nb-Rh-Sn Nb-Ru Nb-Ru-Sb Nb-Si Nb-Ta Nb-Ta-W Nb-Te Nb-Ti Nb-Ti-V-Zr Nb-V Nb-W Nb-Zr Nd Nd-Ni Ni Ni-Pd Ni-Pt Ni-Rh-Sn Ni-Sb Ni-Sb-Sc Ni-Sb-Ti Ni-Sb-Y Ni-Sb-Yb Ni-Sb-Zn Ni-Sb-Zr Ni-Sc-Sn Ni-Si Ni-Si-Zn Ni-Sn Ni-Sn-Th Ni-Sn-Ti Ni-Sn-V Ni-Sn-Yb Ni-Sn-Zr Ni-Ta Ni-Te Ni-Ti Ni-W Ni-Zr O O-Sn O-Sr O-Sr-Ti O-Ti Os Os-Sc Os-Y P Pb Pb-Pd-Y Pd Pd-S Pd-Sb Pd-Sb-Sc Pd-Sb-Y Pd-Sb-Yb Pd-Sc Pd-Sc-Sn Pd-Sn Pd-Sn-Y Pd-Sn-Yb Pd-Sn-Zr Pd-Te Pd-Zn Pd-Zr Pr Pt Pt-Sb-Sc Pt-Sb-Y Pt-Sb-Yb Pt-Sc-Sn Pt-Sn-Th Pt-Sn-Ti Pt-Te Pt-Ti Pt-Zn Ra Rb Re Re-Si Re-Ta Re-W Re-Y Rh Rh-Sb-Th Rh-Sc Rh-Si Rh-Sn Rh-Sn-V Rh-Y Ru Ru-Sb-Ta Ru-Sb-Ti Ru-Sb-V Ru-Sb-Zr Ru-Sc Ru-Sc-Sn Ru-Si Ru-Sn Ru-Sn-Zn Ru-Ta Ru-Y Ru-Zn S S-Sb S-Ta Sb Sc Sc-Sn Sc-Zn Se Se-V Si Si-Ti Si-V Sn Sn-Ti Sr Ta Ta-Te Ta-W Ta-Zr Te Te-Ti Te-Ti-V Te-V Te-W Th Ti Ti-V Ti-W Ti-Zn Ti-Zr V V-Zr W W-Zr Y Y-Zn Yb Zn Zr