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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224080

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-1224080
  • 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: 80
  • Number of elements: 5
  • Element list: ['K', 'Ca', 'Mg', 'V', 'O']
  • Chemical System: Ca-K-Mg-O-V
  • Density: 3.2961486038946806
  • Atomic Density: 0.07743547209570596
  • Unit Cell Volume: 1033.1182574973448
  • Molar Volume: 7.776979460468669
  • Full Formula: K4 Ca8 Mg8 V12 O48
  • Reduced Formula: KCa2Mg2V3O12
  • Formula Anonymous: AB2C2D3E12
  • Spacegroup Number: 142
  • Spacegroup Symbol: I4_1/acd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -606.30847813
  • Final energy per atom: -7.578855976625
  • 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.