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  1. Third-Parties
  2. MatprojStructure
  3. mp-19459

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-19459
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:40 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 4
  • Element list: ['K', 'Mg', 'V', 'O']
  • Chemical System: K-Mg-O-V
  • Density: 2.4905807510580895
  • Atomic Density: 0.05688833263578227
  • Unit Cell Volume: 843.7582501725216
  • Molar Volume: 10.58589781239629
  • Full Formula: K8 Mg4 V8 O28
  • Reduced Formula: K2MgV2O7
  • Formula Anonymous: AB2C2D7
  • Spacegroup Number: 136
  • Spacegroup Symbol: P4_2/mnm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -349.4893472
  • Final energy per atom: -7.281028066666667
  • 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.