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  1. Third-Parties
  2. MatprojStructure
  3. mp-1205007

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-1205007
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 66
  • Number of elements: 5
  • Element list: ['K', 'Sb', 'Te', 'H', 'O']
  • Chemical System: H-K-O-Sb-Te
  • Density: 4.628680738171487
  • Atomic Density: 0.05077908228480866
  • Unit Cell Volume: 1299.747790435057
  • Molar Volume: 11.859491131058933
  • Full Formula: K6 Sb12 Te12 H12 O24
  • Reduced Formula: KSb2Te2(HO2)2
  • Formula Anonymous: AB2C2D2E4
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -340.31830547
  • Final energy per atom: -5.156337961666666
  • 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.