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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195071

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-1195071
  • 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: 120
  • Number of elements: 4
  • Element list: ['Hg', 'P', 'Xe', 'F']
  • Chemical System: F-Hg-P-Xe
  • Density: 3.7651288664200186
  • Atomic Density: 0.050878135359012054
  • Unit Cell Volume: 2358.577002738847
  • Molar Volume: 11.836402253160202
  • Full Formula: Hg4 P8 Xe20 F88
  • Reduced Formula: HgP2Xe5F22
  • Formula Anonymous: AB2C5D22
  • Spacegroup Number: 56
  • Spacegroup Symbol: Pccn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -422.74117051
  • Final energy per atom: -3.5228430875833334
  • 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.