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  1. Third-Parties
  2. MatprojStructure
  3. mp-704360

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-704360
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 188
  • Number of elements: 5
  • Element list: ['K', 'Na', 'V', 'S', 'O']
  • Chemical System: K-Na-O-S-V
  • Density: 2.5454418693217153
  • Atomic Density: 0.0662867330335388
  • Unit Cell Volume: 2836.163307443112
  • Molar Volume: 9.084986519026371
  • Full Formula: K24 Na8 V8 S28 O120
  • Reduced Formula: K6Na2V2S7O30
  • Formula Anonymous: A2B2C6D7E30
  • Spacegroup Number: 96
  • Spacegroup Symbol: P4_32_12
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -1227.31755973
  • Final energy per atom: -6.528284892180851
  • 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.