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  1. Third-Parties
  2. MatprojStructure
  3. mp-649177

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-649177
  • 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: 148
  • Number of elements: 4
  • Element list: ['Re', 'Te', 'O', 'F']
  • Chemical System: F-O-Re-Te
  • Density: 3.957529029736134
  • Atomic Density: 0.06320502919288377
  • Unit Cell Volume: 2341.5858182478814
  • Molar Volume: 9.52794553993819
  • Full Formula: Re4 Te20 O24 F100
  • Reduced Formula: ReTe5O6F25
  • Formula Anonymous: AB5C6D25
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -751.6262367100001
  • Final energy per atom: -5.078555653445946
  • 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.