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  1. Third-Parties
  2. MatprojStructure
  3. mp-560139

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-560139
  • 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: 44
  • Number of elements: 5
  • Element list: ['S', 'Xe', 'N', 'O', 'F']
  • Chemical System: F-N-O-S-Xe
  • Density: 2.7286012762412777
  • Atomic Density: 0.05470336475536257
  • Unit Cell Volume: 804.3380913911092
  • Molar Volume: 11.008720920425006
  • Full Formula: S8 Xe4 N4 O16 F12
  • Reduced Formula: S2XeNO4F3
  • Formula Anonymous: ABC2D3E4
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -221.60104492
  • Final energy per atom: -5.0363873845454545
  • 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.