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  1. Third-Parties
  2. MatprojStructure
  3. mp-558830

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-558830
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 4
  • Element list: ['Zn', 'Te', 'Mo', 'O']
  • Chemical System: Mo-O-Te-Zn
  • Density: 5.0860037855715925
  • Atomic Density: 0.07160955200885796
  • Unit Cell Volume: 251.3631142081916
  • Molar Volume: 8.409689197964921
  • Full Formula: Zn2 Te2 Mo2 O12
  • Reduced Formula: ZnTeMoO6
  • Formula Anonymous: ABCD6
  • Spacegroup Number: 18
  • Spacegroup Symbol: P2_12_12
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -121.64602842
  • Final energy per atom: -6.75811269
  • 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.