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  1. Third-Parties
  2. MatprojStructure
  3. mp-1182445

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-1182445
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 96
  • Number of elements: 5
  • Element list: ['Na', 'H', 'S', 'N', 'O']
  • Chemical System: H-N-Na-O-S
  • Density: 1.9796960820137943
  • Atomic Density: 0.08009710503366951
  • Unit Cell Volume: 1198.5451903616936
  • Molar Volume: 7.518549837061578
  • Full Formula: Na12 H24 S12 N12 O36
  • Reduced Formula: NaH2SNO3
  • Formula Anonymous: ABCD2E3
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -547.4940932
  • Final energy per atom: -5.7030634708333325
  • 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.