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  1. Third-Parties
  2. MatprojStructure
  3. mp-647218

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-647218
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 3
  • Element list: ['Re', 'P', 'O']
  • Chemical System: O-P-Re
  • Density: 5.158427715369449
  • Atomic Density: 0.07634437748791396
  • Unit Cell Volume: 785.9124925014755
  • Molar Volume: 7.888126091477217
  • Full Formula: Re8 P8 O44
  • Reduced Formula: Re2P2O11
  • Formula Anonymous: A2B2C11
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -498.91315032000006
  • Final energy per atom: -8.315219172
  • 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.