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  1. Third-Parties
  2. MatprojStructure
  3. mp-1173622

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-1173622
  • 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: 78
  • Number of elements: 5
  • Element list: ['Pr', 'Te', 'Mo', 'Cl', 'O']
  • Chemical System: Cl-Mo-O-Pr-Te
  • Density: 5.409611768337133
  • Atomic Density: 0.05860270090474968
  • Unit Cell Volume: 1330.9966741426792
  • Molar Volume: 10.276217080485981
  • Full Formula: Pr10 Te14 Mo2 Cl6 O46
  • Reduced Formula: Pr5Te7MoCl3O23
  • Formula Anonymous: AB3C5D7E23
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -537.27261525
  • Final energy per atom: -6.888110451923076
  • 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.