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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-1197034
  • 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: 40
  • Number of elements: 7
  • Element list: ['Na', 'Mn', 'H', 'C', 'S', 'N', 'O']
  • Chemical System: C-H-Mn-N-Na-O-S
  • Density: 1.6625108741626335
  • Atomic Density: 0.06538989335810115
  • Unit Cell Volume: 611.7153270298827
  • Molar Volume: 9.209589511058468
  • Full Formula: Na2 Mn2 H12 C6 S6 N6 O6
  • Reduced Formula: NaMnH6C3S3(NO)3
  • Formula Anonymous: ABC3D3E3F3G6
  • Spacegroup Number: 147
  • Spacegroup Symbol: P-3
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -252.60012702
  • Final energy per atom: -6.3150031755
  • 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.