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  1. Third-Parties
  2. MatprojStructure
  3. mp-766470

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-766470
  • 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: 36
  • Number of elements: 6
  • Element list: ['Na', 'Ca', 'Mn', 'C', 'O', 'F']
  • Chemical System: C-Ca-F-Mn-Na-O
  • Density: 2.6285237767002636
  • Atomic Density: 0.0801304279876067
  • Unit Cell Volume: 449.26753674107306
  • Molar Volume: 7.515423180981149
  • Full Formula: Na6 Ca3 Mn1 C6 O18 F2
  • Reduced Formula: Na6Ca3MnC6(O9F)2
  • Formula Anonymous: AB2C3D6E6F18
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -258.77798847
  • Final energy per atom: -7.188277457500001
  • 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.