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  1. Third-Parties
  2. MatprojStructure
  3. mp-891955

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-891955
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 41
  • Number of elements: 3
  • Element list: ['Ca', 'V', 'O']
  • Chemical System: Ca-O-V
  • Density: 3.1022932466026014
  • Atomic Density: 0.06923089469837464
  • Unit Cell Volume: 592.2211489339971
  • Molar Volume: 8.698631999827938
  • Full Formula: Ca10 V6 O25
  • Reduced Formula: Ca10V6O25
  • Formula Anonymous: A6B10C25
  • Spacegroup Number: 147
  • Spacegroup Symbol: P-3
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -320.84976802
  • Final energy per atom: -7.825604098048781
  • 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.