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  1. Third-Parties
  2. MatprojStructure
  3. mp-696485

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-696485
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 6
  • Element list: ['Na', 'Te', 'H', 'S', 'O', 'F']
  • Chemical System: F-H-Na-O-S-Te
  • Density: 3.29927704460107
  • Atomic Density: 0.07516287868931579
  • Unit Cell Volume: 691.8308732551467
  • Molar Volume: 8.012120963185026
  • Full Formula: Na8 Te4 H4 S4 O20 F12
  • Reduced Formula: Na2TeHSO5F3
  • Formula Anonymous: ABCD2E3F5
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -286.7072372
  • Final energy per atom: -5.513600715384616
  • 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.