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  1. Third-Parties
  2. MatprojStructure
  3. mp-765485

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-765485
  • 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: 48
  • Number of elements: 3
  • Element list: ['Zr', 'V', 'O']
  • Chemical System: O-V-Zr
  • Density: 5.521740111383892
  • Atomic Density: 0.08264609569064026
  • Unit Cell Volume: 580.7896864199483
  • Molar Volume: 7.286660924119144
  • Full Formula: Zr15 V1 O32
  • Reduced Formula: Zr15VO32
  • Formula Anonymous: AB15C32
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -473.94853018
  • Final energy per atom: -9.873927712083333
  • 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.