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  1. Third-Parties
  2. MatprojStructure
  3. mp-557659

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-557659
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 4
  • Element list: ['K', 'V', 'P', 'O']
  • Chemical System: K-O-P-V
  • Density: 3.036462293039392
  • Atomic Density: 0.07802802743290235
  • Unit Cell Volume: 922.7453566209147
  • Molar Volume: 7.717920032232703
  • Full Formula: K2 V8 P14 O48
  • Reduced Formula: KV4P7O24
  • Formula Anonymous: AB4C7D24
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -582.36791342
  • Final energy per atom: -8.088443241944445
  • 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.