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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221472

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-1221472
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 66
  • Number of elements: 4
  • Element list: ['Na', 'Mn', 'V', 'F']
  • Chemical System: F-Mn-Na-V
  • Density: 3.0641034124931212
  • Atomic Density: 0.0712580568116154
  • Unit Cell Volume: 926.211055326472
  • Molar Volume: 8.451171740369942
  • Full Formula: Na12 Mn6 V6 F42
  • Reduced Formula: Na2MnVF7
  • Formula Anonymous: ABC2D7
  • Spacegroup Number: 145
  • Spacegroup Symbol: P3_2
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -409.29280611
  • Final energy per atom: -6.201406153181819
  • 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.