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  1. Third-Parties
  2. MatprojStructure
  3. mp-1042065

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-1042065
  • 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: 44
  • Number of elements: 4
  • Element list: ['V', 'Zn', 'P', 'O']
  • Chemical System: O-P-V-Zn
  • Density: 3.781599755423197
  • Atomic Density: 0.08629414946254951
  • Unit Cell Volume: 509.88392925867356
  • Molar Volume: 6.9786199846763965
  • Full Formula: V4 Zn4 P8 O28
  • Reduced Formula: VZnP2O7
  • Formula Anonymous: ABC2D7
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -332.11958151
  • Final energy per atom: -7.548172307045454
  • 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.