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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202408

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-1202408
  • 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: 144
  • Number of elements: 6
  • Element list: ['Mg', 'P', 'H', 'C', 'N', 'O']
  • Chemical System: C-H-Mg-N-O-P
  • Density: 1.8337796801593567
  • Atomic Density: 0.10590677180795878
  • Unit Cell Volume: 1359.6864255395853
  • Molar Volume: 5.686266002819891
  • Full Formula: Mg4 P12 H64 C12 N4 O48
  • Reduced Formula: MgP3H16C3NO12
  • Formula Anonymous: ABC3D3E12F16
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -868.33876489
  • Final energy per atom: -6.030130311736111
  • 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.