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  1. Third-Parties
  2. MatprojStructure
  3. mp-721279

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-721279
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 4
  • Element list: ['H', 'S', 'N', 'O']
  • Chemical System: H-N-O-S
  • Density: 2.065486118926949
  • Atomic Density: 0.10248776666752675
  • Unit Cell Volume: 624.4647735140705
  • Molar Volume: 5.875960571505082
  • Full Formula: H24 S8 N8 O24
  • Reduced Formula: H3SNO3
  • Formula Anonymous: ABC3D3
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -375.35762568
  • Final energy per atom: -5.86496290125
  • 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.