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  1. Third-Parties
  2. MatprojStructure
  3. mp-581326

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-581326
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 4
  • Element list: ['Si', 'Mo', 'P', 'O']
  • Chemical System: Mo-O-P-Si
  • Density: 2.9767065437839073
  • Atomic Density: 0.07299287353246048
  • Unit Cell Volume: 876.7979242732337
  • Molar Volume: 8.250313309451927
  • Full Formula: Si4 Mo4 P12 O44
  • Reduced Formula: SiMoP3O11
  • Formula Anonymous: ABC3D11
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -519.68446651
  • Final energy per atom: -8.12006978921875
  • 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.