Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1198514

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-1198514
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 90
  • Number of elements: 5
  • Element list: ['Na', 'V', 'H', 'N', 'O']
  • Chemical System: H-N-Na-O-V
  • Density: 2.3560841582346486
  • Atomic Density: 0.10169596453865931
  • Unit Cell Volume: 884.9908686965338
  • Molar Volume: 5.921710647339116
  • Full Formula: Na2 V10 H36 N4 O38
  • Reduced Formula: NaV5H18N2O19
  • Formula Anonymous: AB2C5D18E19
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -579.4075217999999
  • Final energy per atom: -6.437861353333332
  • 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.