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  1. Third-Parties
  2. MatprojStructure
  3. mp-642974

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-642974
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 104
  • Number of elements: 5
  • Element list: ['Sr', 'Cr', 'Bi', 'Mo', 'O']
  • Chemical System: Bi-Cr-Mo-O-Sr
  • Density: 6.879173184684985
  • Atomic Density: 0.060255931533920504
  • Unit Cell Volume: 1725.9711592286012
  • Molar Volume: 9.994270450552895
  • Full Formula: Sr2 Cr2 Bi24 Mo8 O68
  • Reduced Formula: SrCrBi12(Mo2O17)2
  • Formula Anonymous: ABC4D12E34
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -735.6270808600001
  • Final energy per atom: -7.073337315961539
  • 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.