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  1. Third-Parties
  2. MatprojStructure
  3. mp-1173851

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-1173851
  • 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: 89
  • Number of elements: 6
  • Element list: ['Na', 'V', 'Mo', 'H', 'N', 'O']
  • Chemical System: H-Mo-N-Na-O-V
  • Density: 2.3305401562085835
  • Atomic Density: 0.09610871153866754
  • Unit Cell Volume: 926.034680677126
  • Molar Volume: 6.265967635594723
  • Full Formula: Na2 V9 Mo1 H35 N4 O38
  • Reduced Formula: Na2V9MoH35(N2O19)2
  • Formula Anonymous: AB2C4D9E35F38
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -573.9581665200001
  • Final energy per atom: -6.448968163146068
  • 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.