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  1. Third-Parties
  2. MatprojStructure
  3. mp-1203632

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-1203632
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 6
  • Element list: ['Na', 'V', 'Cu', 'H', 'O', 'F']
  • Chemical System: Cu-F-H-Na-O-V
  • Density: 3.0343956066047952
  • Atomic Density: 0.09020222051373608
  • Unit Cell Volume: 465.6204665560777
  • Molar Volume: 6.676266643660887
  • Full Formula: Na4 V4 Cu2 H8 O12 F12
  • Reduced Formula: Na2V2CuH4(OF)6
  • Formula Anonymous: AB2C2D4E6F6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -250.42053652
  • Final energy per atom: -5.962393726666667
  • 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.