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  1. Third-Parties
  2. MatprojStructure
  3. mp-27367

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-27367
  • 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: 16
  • Number of elements: 3
  • Element list: ['Se', 'O', 'F']
  • Chemical System: F-O-Se
  • Density: 3.074636492888286
  • Atomic Density: 0.055705240857126914
  • Unit Cell Volume: 287.22611649838984
  • Molar Volume: 10.810725646884137
  • Full Formula: Se4 O4 F8
  • Reduced Formula: SeOF2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -77.45577635000001
  • Final energy per atom: -4.8409860218750005
  • 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.