Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-554686

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-554686
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 92
  • Number of elements: 4
  • Element list: ['Mg', 'As', 'Xe', 'F']
  • Chemical System: As-F-Mg-Xe
  • Density: 3.308144549155631
  • Atomic Density: 0.05884234849820218
  • Unit Cell Volume: 1563.4997981566098
  • Molar Volume: 10.234365068185536
  • Full Formula: Mg4 As8 Xe8 F72
  • Reduced Formula: MgAs2(XeF9)2
  • Formula Anonymous: AB2C2D18
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -371.7647613700001
  • Final energy per atom: -4.040921319239131
  • 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.