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  1. Third-Parties
  2. MatprojStructure
  3. mp-556244

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-556244
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 4
  • Element list: ['Xe', 'N', 'O', 'F']
  • Chemical System: F-N-O-Xe
  • Density: 3.1517681635621875
  • Atomic Density: 0.061494787605912586
  • Unit Cell Volume: 585.4154701810643
  • Molar Volume: 9.79292879031098
  • Full Formula: Xe4 N2 O4 F26
  • Reduced Formula: Xe2NO2F13
  • Formula Anonymous: AB2C2D13
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -116.58634331
  • Final energy per atom: -3.238509536388889
  • 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.