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  1. Third-Parties
  2. MatprojStructure
  3. mp-1179624

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-1179624
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 4
  • Element list: ['Sc', 'H', 'S', 'O']
  • Chemical System: H-O-S-Sc
  • Density: 1.6699553763788337
  • Atomic Density: 0.06873795035995264
  • Unit Cell Volume: 931.0722776116843
  • Molar Volume: 8.761012989861499
  • Full Formula: Sc4 H20 S6 O34
  • Reduced Formula: Sc2H10S3O17
  • Formula Anonymous: A2B3C10D17
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -379.9001609
  • Final energy per atom: -5.9359400140625
  • 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.