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  1. Third-Parties
  2. MatprojStructure
  3. mp-1106130

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-1106130
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 5
  • Element list: ['Na', 'Co', 'Se', 'O', 'F']
  • Chemical System: Co-F-Na-O-Se
  • Density: 3.1744733445842477
  • Atomic Density: 0.06929563589406205
  • Unit Cell Volume: 288.61846409167305
  • Molar Volume: 8.690505083475305
  • Full Formula: Na2 Co2 Se2 O12 F2
  • Reduced Formula: NaCoSeO6F
  • Formula Anonymous: ABCDE6
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -108.41323223
  • Final energy per atom: -5.4206616115
  • 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.