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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214780

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-1214780
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 3
  • Element list: ['Au', 'Xe', 'F']
  • Chemical System: Au-F-Xe
  • Density: 4.661782847814444
  • Atomic Density: 0.06185598559396576
  • Unit Cell Volume: 355.66485262092675
  • Molar Volume: 9.735744572126707
  • Full Formula: Au2 Xe2 F18
  • Reduced Formula: AuXeF9
  • Formula Anonymous: ABC9
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -62.64852282
  • Final energy per atom: -2.847660128181818
  • 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.