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  1. Third-Parties
  2. MatprojStructure
  3. mp-1179994

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-1179994
  • 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: 78
  • Number of elements: 6
  • Element list: ['Na', 'H', 'C', 'S', 'N', 'O']
  • Chemical System: C-H-N-Na-O-S
  • Density: 1.4463805976892823
  • Atomic Density: 0.08380377924167895
  • Unit Cell Volume: 930.7456144078941
  • Molar Volume: 7.18600141245772
  • Full Formula: Na6 H36 C6 S6 N6 O18
  • Reduced Formula: NaH6CSNO3
  • Formula Anonymous: ABCDE3F6
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -405.97410949
  • Final energy per atom: -5.2047962755128205
  • 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.