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  1. Third-Parties
  2. MatprojStructure
  3. mp-554138

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-554138
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 4
  • Element list: ['Pr', 'Sb', 'O', 'F']
  • Chemical System: F-O-Pr-Sb
  • Density: 6.871546509294029
  • Atomic Density: 0.0741055498496082
  • Unit Cell Volume: 485.7935751513803
  • Molar Volume: 8.126436916292363
  • Full Formula: Pr8 Sb4 O20 F4
  • Reduced Formula: Pr2SbO5F
  • Formula Anonymous: ABC2D5
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -277.8797063
  • Final energy per atom: -7.718880730555556
  • 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.