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  1. Third-Parties
  2. MatprojStructure
  3. mp-557773

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-557773
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 27
  • Number of elements: 3
  • Element list: ['Sc', 'Te', 'O']
  • Chemical System: O-Sc-Te
  • Density: 4.736072040981543
  • Atomic Density: 0.08187716071248237
  • Unit Cell Volume: 329.7622898137916
  • Molar Volume: 7.355092320735434
  • Full Formula: Sc6 Te3 O18
  • Reduced Formula: Sc2TeO6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 150
  • Spacegroup Symbol: P321
  • Crystal System: trigonal
  • Pointgroup: 321

Thermodynamics:

  • Final energy: -215.48304638
  • Final energy per atom: -7.980853569629629
  • 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.