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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195487

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-1195487
  • 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: 54
  • Number of elements: 5
  • Element list: ['Na', 'Cd', 'H', 'C', 'O']
  • Chemical System: C-Cd-H-Na-O
  • Density: 3.6840184418687385
  • Atomic Density: 0.08517878507533728
  • Unit Cell Volume: 633.9606740368406
  • Molar Volume: 7.070000769174689
  • Full Formula: Na8 Cd6 H4 C8 O28
  • Reduced Formula: Na4Cd3H2(C2O7)2
  • Formula Anonymous: A2B3C4D4E14
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -341.15574098
  • Final energy per atom: -6.3176989070370375
  • 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.