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  1. Third-Parties
  2. MatprojStructure
  3. mp-1209641

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-1209641
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 4
  • Element list: ['Sb', 'Te', 'Se', 'F']
  • Chemical System: F-Sb-Se-Te
  • Density: 3.957627805915532
  • Atomic Density: 0.04368366982341176
  • Unit Cell Volume: 1831.3479687808858
  • Molar Volume: 13.785794060673226
  • Full Formula: Sb8 Te12 Se12 F48
  • Reduced Formula: Sb2Te3(SeF4)3
  • Formula Anonymous: A2B3C3D12
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -365.4517449700001
  • Final energy per atom: -4.5681468121250015
  • 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.