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  1. Third-Parties
  2. MatprojStructure
  3. mp-1209008

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-1209008
  • 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: 12
  • Number of elements: 4
  • Element list: ['Sc', 'S', 'N', 'O']
  • Chemical System: N-O-S-Sc
  • Density: 2.155454876520693
  • Atomic Density: 0.06203623777352507
  • Unit Cell Volume: 193.4353279740827
  • Molar Volume: 9.707456441805762
  • Full Formula: Sc1 S2 N1 O8
  • Reduced Formula: ScS2NO8
  • Formula Anonymous: ABC2D8
  • Spacegroup Number: 150
  • Spacegroup Symbol: P321
  • Crystal System: trigonal
  • Pointgroup: 321

Thermodynamics:

  • Final energy: -81.48871439
  • Final energy per atom: -6.7907261991666665
  • 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.