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  1. Third-Parties
  2. MatprojStructure
  3. mp-720410

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-720410
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 7
  • Element list: ['K', 'Na', 'Ca', 'Ti', 'Si', 'H', 'O']
  • Chemical System: Ca-H-K-Na-O-Si-Ti
  • Density: 2.707442201742065
  • Atomic Density: 0.0742305176554341
  • Unit Cell Volume: 916.0652808006115
  • Molar Volume: 8.112755979897363
  • Full Formula: K4 Na2 Ca4 Ti2 Si14 H2 O40
  • Reduced Formula: K2NaCa2TiSi7HO20
  • Formula Anonymous: ABCD2E2F7G20
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -524.99693426
  • Final energy per atom: -7.720543150882353
  • 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.