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  1. Third-Parties
  2. MatprojStructure
  3. mp-608522

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-608522
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 86
  • Number of elements: 3
  • Element list: ['Sb', 'Mo', 'O']
  • Chemical System: Mo-O-Sb
  • Density: 4.54929193106523
  • Atomic Density: 0.06934178076473484
  • Unit Cell Volume: 1240.2335078728904
  • Molar Volume: 8.684721813580365
  • Full Formula: Sb4 Mo20 O62
  • Reduced Formula: Sb2Mo10O31
  • Formula Anonymous: A2B10C31
  • Spacegroup Number: 28
  • Spacegroup Symbol: Pma2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -705.6622127
  • Final energy per atom: -8.20537456627907
  • 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.