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  1. Third-Parties
  2. MatprojStructure
  3. mp-743810

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-743810
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 5
  • Element list: ['Cs', 'V', 'Zn', 'P', 'O']
  • Chemical System: Cs-O-P-V-Zn
  • Density: 2.437858457316263
  • Atomic Density: 0.05481913330484198
  • Unit Cell Volume: 985.057529087757
  • Molar Volume: 10.985472401600493
  • Full Formula: Cs2 V2 Zn2 P12 O36
  • Reduced Formula: CsVZn(PO3)6
  • Formula Anonymous: ABCD6E18
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -351.72355871
  • Final energy per atom: -6.513399235370371
  • 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.