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  1. Third-Parties
  2. MatprojStructure
  3. mp-560718

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-560718
  • 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: 88
  • Number of elements: 6
  • Element list: ['Te', 'H', 'Au', 'C', 'S', 'N']
  • Chemical System: Au-C-H-N-S-Te
  • Density: 2.69125486874449
  • Atomic Density: 0.0720452556200164
  • Unit Cell Volume: 1221.4544766713393
  • Molar Volume: 8.358830443689707
  • Full Formula: Te4 H48 Au4 C16 S12 N4
  • Reduced Formula: TeH12AuC4S3N
  • Formula Anonymous: ABCD3E4F12
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -438.37741151
  • Final energy per atom: -4.981561494431818
  • 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.