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  1. Third-Parties
  2. MatprojStructure
  3. mp-1040887

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-1040887
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 4
  • Element list: ['Mg', 'V', 'P', 'O']
  • Chemical System: Mg-O-P-V
  • Density: 3.4100428928070468
  • Atomic Density: 0.08444761540097524
  • Unit Cell Volume: 615.7663511644815
  • Molar Volume: 7.131214696123266
  • Full Formula: Mg4 V8 P8 O32
  • Reduced Formula: MgV2(PO4)2
  • Formula Anonymous: AB2C2D8
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -419.30175645
  • Final energy per atom: -8.063495316346154
  • 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.