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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221556

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-1221556
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 111
  • Number of elements: 5
  • Element list: ['Na', 'Mg', 'V', 'H', 'O']
  • Chemical System: H-Mg-Na-O-V
  • Density: 2.1737113652379443
  • Atomic Density: 0.09674012041057689
  • Unit Cell Volume: 1147.403988426957
  • Molar Volume: 6.2250705647680595
  • Full Formula: Na4 Mg1 V10 H44 O52
  • Reduced Formula: Na4MgV10(H11O13)4
  • Formula Anonymous: AB4C10D44E52
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -685.58387798
  • Final energy per atom: -6.176431333153153
  • 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.