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  1. Third-Parties
  2. MatprojStructure
  3. mp-743514

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-743514
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 58
  • Number of elements: 5
  • Element list: ['Na', 'V', 'H', 'I', 'O']
  • Chemical System: H-I-Na-O-V
  • Density: 2.0722868473540568
  • Atomic Density: 0.0776802994738131
  • Unit Cell Volume: 746.650056615094
  • Molar Volume: 7.75246851620356
  • Full Formula: Na6 V2 H22 I2 O26
  • Reduced Formula: Na3VH11IO13
  • Formula Anonymous: ABC3D11E13
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -292.0195111
  • Final energy per atom: -5.0348191568965515
  • 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.