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  1. Third-Parties
  2. MatprojStructure
  3. mp-555083

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-555083
  • 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: 20
  • Number of elements: 4
  • Element list: ['Na', 'H', 'C', 'O']
  • Chemical System: C-H-Na-O
  • Density: 1.7361858912171682
  • Atomic Density: 0.08362872178609991
  • Unit Cell Volume: 239.15228611474768
  • Molar Volume: 7.20104365029402
  • Full Formula: Na3 H5 C4 O8
  • Reduced Formula: Na3H5(CO2)4
  • Formula Anonymous: A3B4C5D8
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -126.54908841
  • Final energy per atom: -6.3274544205
  • 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.