布里渊区
-
2023年2月26日发(作者：长寿粉)Triclinic(primitive)
Basicvectors:arbitrary
Volume:[a1a2a3]
Kpoints:
gamma(000)B(1/200)F(0½0)G(001/2)
Monoclinic(primitive)
Basicvectors:(0-b0)(asinr-acosr0)(00c)
Volume:abcsinr
Kpoints:
gamma(000)B(-1/200)Y(0½0)Z(00½)C(0½½)D(-1/20½)
A(-1/2½0)(-1/2-1/20)or(½½0)E(-1/2½½)(-1/2-1/2½)or(1/2½½)
Monoclinic(Basecentered)
Basicvectors:(0-b0)1/2(asinracosr-c)1/2(asinr-acosrc)
Volume:1/2abcsinr
Kpoints:
gamma(000)A(-1/200)Z(0-1/2½)M(-1/2-1/2½)L(1/20½)V(00½)
Othorhombic(Primitive)
Basicvectors:(0-b0)(a00)(00c)
Volume:abc
Kpoints:
gamma(000)Y(-1/200)X(0½0)Z(00½)U(0½½)T(-1/20½)S(-1/2½0)
R(-1/2½½)
Othorhombic(Basecentered)
Basicvectors:1/2(a-b0)1/2(ab0)(00c)
Volume:1/2abc
Kpoints:
a>b:
gamma(000)Y(1/2½0)Z(00½)T(1/2½½)S(0½0)R(0½½)
a gamma(000)Y(-1/2½0)Z(00½)T(-1/2½½)S(0½0)R(0½½) Othorhombic(Bodycentered) Basicvectors:1/2(abc)1/2(-a-bc)1/2(a-b-c) Volume:1/2abc Kpoints: a>banda>c: gamma(000)X(1/2-1/2½)R(1/200)S(1/20-1/2)T(1/2½0)W(3/4-1/4-1/4) b>aandb>c: gamma(000)X(1/2-1/2-½)R(1/200)S(1/20-1/2)T(1/2-½0)W(3/4-1/4-1/4) c>aandc>b: gamma(000)X(1/21/2-½)R(1/200)S(1/20-1/2)T(1/2-½0)W(3/4-1/4-1/4) Othorhombic(Facecentered) Basicvectors:½(a0c)1/2(0-bc)1/2(a-b0) Volume:1/4abc Kpoints: 1/a^2<1/b^2+1/c^21/b^2<1/c^2+1/a^2and1/c^2<1/a^2+1/b^2: gamma(000)Y(0-1/2-1/2)X(1/20½)Z(1/2½0)L(1/200) 1/c^2>1/a^2+1/b^2: gamma(000)Y(0-1/2-1/2)X(1/20½)Z(1/2-½0)L(1/200) 1/b^2>1/c^2+1/a^2 gamma(000)Y(1½1/2)X(1/20½)Z(1/2½0)L(1/200) 1/a^2>1/b^2+1/c^2: gamma(000)Y(0-½-1/2)X(1/20-½)Z(1/2½0)L(1/200) Tetragonal(primitive) Basicvectors:(a00)(0a0)(00c) Volume:a^2*c Kpoints: gamma(000)M(1/2½0)Z(00½)A(1/2½½)R(0½½)X(0½0) Tetragonal(body-centerd) Basicvectors:1/2(-aac)1/2(a-ac)1/2(aa-c) Volume:1/2a^2*c Kpoints: a>c: gamma(000)N(0½0)X(00½)Z(-1/2½½)P(1/4¼¼) c>a: gamma(000)N(0½0)X(00½)Z(1/2½-½)P(1/4¼¼) Trigonal(primitive) Basicvectors:(0-ac)1/2(sqrt(3)aa2c)1/2(-sqrt(3)aa2c) Volume:3/2sqrt(3)a^2*c Kpoints: a>sqrt(2)c gamma(000)Z(1/2½½)L(0½0)F(0½½) a gamma(000)Z(1/2½½)L(0½0)F(½½0) Hexagonal(primitive) Basicvectors:(0-a0)1/2(sqrt(3)a0)(00c) Volume:1/2sqrt(3)a^2*c Kpoints: gamma(000)M(0½0)A(00½)L(0½½)K(-1/32/30)H(-1/32/3½) Cubic(primitive) Basicvectors:(a00)(0a0)(00a) Volume:a^3 Kpoints: gamma(000)X(0½0)M(1/2½0)R(1/2½½) Cubic(facecentered) Basicvectors:1/2(0aa)1/2(a0a)1/2(aa0) Volume:1/4a^3 Kpoints: gamma(000)X(1/20½)L(1/2½½)W(1/2¼¼) Cubic(bodycentered) Basicvectors:1/2(-aaa)1/2(a-aa)1/2(aa-a) Volume:1/2a^3 Kpoints: gamma(000)H(1/2-1/2½)P(1/4¼¼)N(00½)