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  1. Third-Parties
  2. MatprojStructure
  3. mp-540798

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-540798
  • 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: 38
  • Number of elements: 3
  • Element list: ['S', 'N', 'O']
  • Chemical System: N-O-S
  • Density: 2.0856658236474424
  • Atomic Density: 0.06853626946601622
  • Unit Cell Volume: 554.4509541600063
  • Molar Volume: 8.786793922283856
  • Full Formula: S6 N4 O28
  • Reduced Formula: S3(NO7)2
  • Formula Anonymous: A2B3C14
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -244.41522373
  • Final energy per atom: -6.431979571842105
  • 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.