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  1. Third-Parties
  2. MatprojStructure
  3. mp-555546

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-555546
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 108
  • Number of elements: 4
  • Element list: ['Mg', 'As', 'Xe', 'F']
  • Chemical System: As-F-Mg-Xe
  • Density: 3.362558096213023
  • Atomic Density: 0.050657879733407275
  • Unit Cell Volume: 2131.948683370919
  • Molar Volume: 11.887865800329948
  • Full Formula: Mg4 As8 Xe16 F80
  • Reduced Formula: MgAs2(XeF5)4
  • Formula Anonymous: AB2C4D20
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -399.99382703
  • Final energy per atom: -3.703646546574074
  • 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.