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  1. Third-Parties
  2. MatprojStructure
  3. mp-766222

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-766222
  • 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: 36
  • Number of elements: 3
  • Element list: ['Zr', 'V', 'O']
  • Chemical System: O-V-Zr
  • Density: 5.683235219399356
  • Atomic Density: 0.08565881206499659
  • Unit Cell Volume: 420.2719969159011
  • Molar Volume: 7.030380896982895
  • Full Formula: Zr11 V1 O24
  • Reduced Formula: Zr11VO24
  • Formula Anonymous: AB11C24
  • Spacegroup Number: 25
  • Spacegroup Symbol: Pmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -353.33053168000004
  • Final energy per atom: -9.814736991111111
  • 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.