Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-558286

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-558286
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['Cu', 'Sb', 'Mo', 'O']
  • Chemical System: Cu-Mo-O-Sb
  • Density: 5.511372115501609
  • Atomic Density: 0.07883965279410914
  • Unit Cell Volume: 304.4153436681962
  • Molar Volume: 7.638466871140219
  • Full Formula: Cu2 Sb2 Mo4 O16
  • Reduced Formula: CuSb(MoO4)2
  • Formula Anonymous: ABC2D8
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -180.50652951
  • Final energy per atom: -7.52110539625
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.