MatHub-3d

Formula Gap (eV) Free Energy (eV) Space group type Space group Comment Calculation progress
Ag1Fe2Ga1Te4 0.667 -28.923 'I-42m' 121 MatHub3d-264-Ag1Fe2Ga1Te4 Transport
Ag1Ga1 0 -3.609 'Pm-3m' 221 MatHub3d-265-Ag1Ga1 Band
Ag1Ga1Lu2 0 -14.270 'Fm-3m' 225 MatHub3d-266-Ag1Ga1Lu2 Band
Ag1Ga1Sc2 0 -15.486 'Fm-3m' 225 MatHub3d-267-Ag1Ga1Sc2 Band
Ag1Gd1 0 -5.885 'Pm-3m' 221 MatHub3d-268-Ag1Gd1 Band
Ag1Gd1Mg2 0 -8.636 'Fm-3m' 225 MatHub3d-269-Ag1Gd1Mg2 Band
Ag1Gd5S8 1.973 -82.991 'I-4' 82 MatHub3d-270-Ag1Gd5S8 Transport
Ag1Gd5Se8 1.668 -75.509 'I-4' 82 MatHub3d-271-Ag1Gd5Se8 Transport
Ag1Ge1Pm2 0 -16.839 'Fm-3m' 225 MatHub3d-272-Ag1Ge1Pm2 Band
Ag1Ge1Yb2 0 -10.643 'Fm-3m' 225 MatHub3d-273-Ag1Ge1Yb2 Band
Ag1H4Mo1N1S4 1.518 -51.669 'I-4' 82 MatHub3d-274-Ag1H4Mo1N1S4 Transport
Ag1H4N1S4W1 1.905 -54.076 'I-4' 82 MatHub3d-275-Ag1H4N1S4W1 Transport
Ag1Hf2 0 -20.854 'I4/mmm' 139 MatHub3d-276-Ag1Hf2 Band
Ag1Hg1 0.033 -0.996 'Pm-3m' 221 MatHub3d-277-Ag1Hg1 Band
Ag1Hg1Li2 0 -6.060 'Fm-3m' 225 MatHub3d-278-Ag1Hg1Li2 Band
Ag1Hg1Lu2 0 -11.415 'Fm-3m' 225 MatHub3d-279-Ag1Hg1Lu2 Band
Ag1Hg1Nd2 0 -11.857 'Fm-3m' 225 MatHub3d-280-Ag1Hg1Nd2 Band
Ag1Hg1Pd2 0 -8.449 'Fm-3m' 225 MatHub3d-281-Ag1Hg1Pd2 Band
Ag1Hg1Pr2 0 -11.882 'Fm-3m' 225 MatHub3d-282-Ag1Hg1Pr2 Band
Ag1Hg1Sc2 0 -12.582 'Fm-3m' 225 MatHub3d-283-Ag1Hg1Sc2 Band
Ag1Hg1Sm2 0 -11.744 'Fm-3m' 225 MatHub3d-284-Ag1Hg1Sm2 Band
Ag1Hg1Tm2 0 -11.479 'Fm-3m' 225 MatHub3d-285-Ag1Hg1Tm2 Band
Ag1Hg1Yb2 0 -5.985 'Fm-3m' 225 MatHub3d-286-Ag1Hg1Yb2 Band
Ag1Hg2Ho1 0 -7.064 'Fm-3m' 225 MatHub3d-287-Ag1Hg2Ho1 Band
Ag1Hg2La1 0 -7.449 'Fm-3m' 225 MatHub3d-288-Ag1Hg2La1 Band