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  1. Third-Parties
  2. MatprojStructure
  3. mp-19302

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-19302
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 4
  • Element list: ['Na', 'Ca', 'V', 'O']
  • Chemical System: Ca-Na-O-V
  • Density: 2.9148137828381455
  • Atomic Density: 0.06902763515000139
  • Unit Cell Volume: 202.81732047718455
  • Molar Volume: 8.724246089140255
  • Full Formula: Na2 Ca2 V2 O8
  • Reduced Formula: NaCaVO4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -103.21401534
  • Final energy per atom: -7.372429667142858
  • 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.