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  1. Third-Parties
  2. MatprojStructure
  3. mp-698522

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-698522
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 6
  • Element list: ['Sb', 'P', 'H', 'C', 'N', 'O']
  • Chemical System: C-H-N-O-P-Sb
  • Density: 3.11616455282948
  • Atomic Density: 0.07014774493411442
  • Unit Cell Volume: 655.7587851641567
  • Molar Volume: 8.584938497532937
  • Full Formula: Sb6 P4 H12 C4 N2 O18
  • Reduced Formula: Sb3P2H6C2NO9
  • Formula Anonymous: AB2C2D3E6F9
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -279.37547691
  • Final energy per atom: -6.073379932826087
  • 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.