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  1. Third-Parties
  2. MatprojStructure
  3. mp-667286

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-667286
  • 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: 84
  • Number of elements: 3
  • Element list: ['Re', 'Te', 'Se']
  • Chemical System: Re-Se-Te
  • Density: 7.351373833063373
  • Atomic Density: 0.0351872914409379
  • Unit Cell Volume: 2387.2255169453592
  • Molar Volume: 17.11453343917705
  • Full Formula: Re24 Te28 Se32
  • Reduced Formula: Re6Te7Se8
  • Formula Anonymous: A6B7C8
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -552.71019085
  • Final energy per atom: -6.579883224404762
  • 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.