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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200870

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-1200870
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 6
  • Element list: ['Te', 'As', 'H', 'Xe', 'N', 'F']
  • Chemical System: As-F-H-N-Te-Xe
  • Density: 3.414638683989905
  • Atomic Density: 0.05898316072143668
  • Unit Cell Volume: 542.5277250083006
  • Molar Volume: 10.209932269382994
  • Full Formula: Te2 As2 H2 Xe2 N2 F22
  • Reduced Formula: TeAsHXeNF11
  • Formula Anonymous: ABCDEF11
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -138.48524443999997
  • Final energy per atom: -4.327663888749999
  • 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.