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  1. Third-Parties
  2. MatprojStructure
  3. mp-24229

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-24229
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 5
  • Element list: ['Na', 'Ca', 'H', 'C', 'O']
  • Chemical System: C-Ca-H-Na-O
  • Density: 1.9504080550650265
  • Atomic Density: 0.10311822905834099
  • Unit Cell Volume: 504.2755337718229
  • Molar Volume: 5.840035088842407
  • Full Formula: Na4 Ca2 H20 C4 O22
  • Reduced Formula: Na2CaH10C2O11
  • Formula Anonymous: AB2C2D10E11
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -313.08157557
  • Final energy per atom: -6.020799530192307
  • 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.