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  1. Third-Parties
  2. MatprojStructure
  3. mp-740739

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-740739
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 118
  • Number of elements: 5
  • Element list: ['K', 'Te', 'P', 'H', 'O']
  • Chemical System: H-K-O-P-Te
  • Density: 2.2836743478477883
  • Atomic Density: 0.06674332924125083
  • Unit Cell Volume: 1767.966946531488
  • Molar Volume: 9.02283543308476
  • Full Formula: K12 Te4 P12 H24 O66
  • Reduced Formula: K6Te2P6(H4O11)3
  • Formula Anonymous: A2B6C6D12E33
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -713.86072496
  • Final energy per atom: -6.0496671606779655
  • 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.