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  1. Third-Parties
  2. MatprojStructure
  3. mp-728123

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-728123
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 5
  • Element list: ['K', 'V', 'H', 'S', 'O']
  • Chemical System: H-K-O-S-V
  • Density: 2.6194035675608243
  • Atomic Density: 0.08016933166146856
  • Unit Cell Volume: 598.7326949748046
  • Molar Volume: 7.511776180734204
  • Full Formula: K4 V4 H8 S4 O28
  • Reduced Formula: KVH2SO7
  • Formula Anonymous: ABCD2E7
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -316.71701677
  • Final energy per atom: -6.598271182708333
  • 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.