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  1. Third-Parties
  2. MatprojStructure
  3. mp-1203692

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-1203692
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 76
  • Number of elements: 6
  • Element list: ['Mn', 'H', 'S', 'N', 'O', 'F']
  • Chemical System: F-H-Mn-N-O-S
  • Density: 2.207912912833485
  • Atomic Density: 0.10350637636357503
  • Unit Cell Volume: 734.2542814274889
  • Molar Volume: 5.8181350478802525
  • Full Formula: Mn4 H32 S4 N8 O16 F12
  • Reduced Formula: MnH8SN2O4F3
  • Formula Anonymous: ABC2D3E4F8
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -441.35871681
  • Final energy per atom: -5.807351536973684
  • 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.