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  1. Third-Parties
  2. MatprojStructure
  3. mp-707938

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-707938
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 164
  • Number of elements: 6
  • Element list: ['Mg', 'H', 'C', 'S', 'N', 'O']
  • Chemical System: C-H-Mg-N-O-S
  • Density: 1.5805897757893947
  • Atomic Density: 0.10307867356294384
  • Unit Cell Volume: 1591.017756935485
  • Molar Volume: 5.8422761487347294
  • Full Formula: Mg4 H72 C16 S4 N32 O36
  • Reduced Formula: MgH18C4SN8O9
  • Formula Anonymous: ABC4D8E9F18
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -1024.65354974
  • Final energy per atom: -6.247887498414634
  • 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.