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  1. Third-Parties
  2. MatprojStructure
  3. mp-1046563

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-1046563
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 3
  • Element list: ['Te', 'Mo', 'O']
  • Chemical System: Mo-O-Te
  • Density: 4.739810736703913
  • Atomic Density: 0.06450638506588452
  • Unit Cell Volume: 806.1217497599511
  • Molar Volume: 9.335728166830616
  • Full Formula: Te6 Mo10 O36
  • Reduced Formula: Te3Mo5O18
  • Formula Anonymous: A3B5C18
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -394.01029741
  • Final energy per atom: -7.577121104038462
  • 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.