Non Periodic Table of electronic band structures [Top][SPT][Table]
(png and Postscript files, New version, update at 8/9, 2023, start at 7/13, 1998)

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    1         2         3         4         5 

    Ag(F____) Al(F____) As(F____) Au(F____) Be(F____)

    Bi(F__5d) BN(ZB___) C(D____)  Ca(F____) Cd(F____) 

    Cd(H____) Co(F____) Co(F_P__) CoAl(SC_) Cr(B____) 

    Cs(B__5p) Cu(F____) Fe(B____) Fe(B_P__) Ga(F____)

    Ga(F__3d) GaAs(ZB_) Ge(D____) Hf(F____) HfC(RS_p)

    Hg(F____) I(F____)  In(F____) In(F_P__) In(F_P_4d)

    InSb(ZB_) Ir(F____) K(B__3p)  KCl(RS__) KF(RS___)

    Li(B_P__) Mg(F____) Mn(F____) Mo(B____) Na(B_P__)

    NaBr(RS_) NaCl(RS_) Nb(B____) NbC(RS_p) Ni(F____)

    Ni(F_P__) NiAl(SC_) O(F____)  Os(F____) OsC(RS_p)

    P(SC____) Pb(F____) Pd(F____) Po(SC___) Pt(F____)

    Rb(B_P__) Rb(B__4p) Re(F____) Rh(F____) Ru(F____)

    S(F____)  Sc(F____) Se(F____) Si(D____) SiO2(R__)

    Sn(D____) Sr(F__4p) Ta(F____) TaC(RS_p) Tc(F____)

    Te(F____) Ti(B_P__) Ti(F____) TiC(RS__) Tl(F__5d)

    Tl(H__5d) V(B____)  Y(F____)  W(B____)  W(B_P__)

    Zn(F____) Zn(H____) ZnO(ZB__) ZnO(RS__) ZnS(ZB__) 

    ZnSe(ZB) ZnTe(ZB) Zr(F___) ZrC(RS_p) GaAs(ZB_Ga3d) 



    TiB(RS_p) TiN(RS_p) TiO(RS_p) TiF(RS_p) RbI(RS_4p) 

    HfN(RS_p) NbN(RS_p) TaN(RS_p) ZrN(RS_p) Li3N(AlB2) 

    Ar(F___p) At(F___p) Ba(B___p) He(F____) Kr(F___p) 

    Ne(F___p) Rn(F___p) Xe(F___p) Cl(F____) Br(F____) 

    H(F_____) B(F_____) N(F_____) F(F_____) Sb(F____)

    KTaO3(PV) KNbO3(PV) LiNbO3(PV) SrTiO3(PV) PbTiO3(PV) 

    MgB2(AlB2) LiB2(AlB2) LiC2(AlB2) MgC2(AlB2) AlC2(AlB2) 

    SiC(ZB__) SiC(RS__) SiGe(ZB_) GeC(ZB__) 

    HBC(Hp) 5HBN(P3m1) hBN(AA,WC) hBN(B,W,H) rBN[W](H)

    2HAlN(W) 3HAlN(P3m1) 2HBN(W) 3HBN(P3m1) 2H-C(H___)

    10HBN(W) 10HAlN(P3m1) 4HBN(W_) 2HSiC(W_) 4HSiC(W_)

    10HSiC(W) NiO(RS_) h-BiTeI(P3m1) LiMgB4(AlB2)

    LiBC(H_p) LiBC[AA](WCp) MgB(hBN) NaBC(H_p) LiBN(H_p)

    hAlN(H__) hBN(H___) hBN[W](H) hBN[W](H) wBN(W___)

    Graphene Graphite[AB] Graphite[AB][W] Graphite[AA]

    Graphene[W] Silicene[W] C6B2(H) AlSb(ZB_) GaSb(ZB_)

    NbMo(SC_) RuPd(SC_) Ru3Pd(SC_) RuPd3(SC_)

    La(F_P__) FePt(SC_) Mg(H_P__) MgO(RS_P_) 

    WC(WC_P_) WC(WC_P_)

    CoSb3(B_Im-3)

    ScN(RS_P_) ScN(ZB_P_)

    4HAlPN(W) PbTe(RS_) PbO(RS_) 2H-GaN(W_) 2H-GaN(W_3d) 

    W(B_P__)[There is one ghost band at about 10 eV above the Fermi level.]

    In(F__4d)[Problematic?]
(F____): Face centered cubic
(B____): Body centered cubic
(SC___): Simple cubic (symmetry)
(D____): Diamond
(H____): Hexagonal close-packed or P63/mmc
(R____): Rutile
(W____): Wurtzite (P63mc)
(WC___): WC (P6_m2)
(ZB___): Zinc Blende
(RS___): Rock Salt(NaCl)
(PV___): Perovskite (cubic)
(__P__): Partial core correction
(___??): considering outer core states of ??(3d, 4p, etc.) as valence states
[AA]: AA stacking
[AB]: AB stacking
[W] or W: Wider and more detailed horizontal line of k-points
All electronic band structures are calculated by using the norm-conserving pseudopotentials in NCPS95(97)(2K).
Values of energy band gap in semiconductor and insulator cases are underestimated due to all calculations within a Local Density Approximation(LDA).
Tables for calculated lattice parameters (lattice constants, bulk modulus) are shown as follows,
[TableI(png,13kbytes)][TableII(png,14kbytes)][TableIII(png,23kbytes)]
[TableIV(png,5kbytes)][TableV(png,22kbytes)][TableVI(png,19kbytes)]
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