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  1. Third-Parties
  2. MatprojStructure
  3. mp-706281

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-706281
  • 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: 36
  • Number of elements: 5
  • Element list: ['Na', 'H', 'C', 'N', 'O']
  • Chemical System: C-H-N-Na-O
  • Density: 1.35738080903017
  • Atomic Density: 0.08651341624528518
  • Unit Cell Volume: 416.12043036113414
  • Molar Volume: 6.960932790962576
  • Full Formula: Na4 H16 C4 N4 O8
  • Reduced Formula: NaH4CNO2
  • Formula Anonymous: ABCD2E4
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -203.08615132
  • Final energy per atom: -5.641281981111111
  • 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.