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  1. Third-Parties
  2. MatprojStructure
  3. mp-560673

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-560673
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 5
  • Element list: ['Na', 'Pr', 'S', 'O', 'F']
  • Chemical System: F-Na-O-Pr-S
  • Density: 4.443094021315289
  • Atomic Density: 0.07728675032496418
  • Unit Cell Volume: 414.0425087799786
  • Molar Volume: 7.791944589051772
  • Full Formula: Na2 Pr4 S4 O16 F6
  • Reduced Formula: NaPr2S2O8F3
  • Formula Anonymous: AB2C2D3E8
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -224.90689701
  • Final energy per atom: -7.0283405315625
  • 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.