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  1. Third-Parties
  2. MatprojStructure
  3. mp-673800

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-673800
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 62
  • Number of elements: 2
  • Element list: ['U', 'S']
  • Chemical System: S-U
  • Density: 12.008138477485858
  • Atomic Density: 0.06877357099464095
  • Unit Cell Volume: 901.5090986744201
  • Molar Volume: 8.756475304254979
  • Full Formula: U22 S40
  • Reduced Formula: U11S20
  • Formula Anonymous: A11B20
  • Spacegroup Number: 104
  • Spacegroup Symbol: P4nc
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -394.87855563
  • Final energy per atom: -6.369008961774194
  • 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.