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  1. Third-Parties
  2. MatprojStructure
  3. mp-1193789

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-1193789
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 6
  • Element list: ['Na', 'Co', 'H', 'S', 'O', 'F']
  • Chemical System: Co-F-H-Na-O-S
  • Density: 2.6752634043404844
  • Atomic Density: 0.09679713174601008
  • Unit Cell Volume: 289.2647694713758
  • Molar Volume: 6.2214041380913425
  • Full Formula: Na2 Co2 H8 S2 O12 F2
  • Reduced Formula: NaCoH4SO6F
  • Formula Anonymous: ABCDE4F6
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -163.93934736
  • Final energy per atom: -5.854976691428571
  • 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.