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  1. Third-Parties
  2. MatprojStructure
  3. mp-556078

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-556078
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 4
  • Element list: ['Mg', 'As', 'Xe', 'F']
  • Chemical System: As-F-Mg-Xe
  • Density: 3.124539530175581
  • Atomic Density: 0.053346852851701584
  • Unit Cell Volume: 787.300426451686
  • Molar Volume: 11.288652353571619
  • Full Formula: Mg2 As4 Xe4 F32
  • Reduced Formula: MgAs2(XeF8)2
  • Formula Anonymous: AB2C2D16
  • Spacegroup Number: 55
  • Spacegroup Symbol: Pbam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -174.95245875
  • Final energy per atom: -4.1655347321428575
  • 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.