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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197566

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-1197566
  • 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: 96
  • Number of elements: 6
  • Element list: ['Na', 'Co', 'P', 'H', 'C', 'O']
  • Chemical System: C-Co-H-Na-O-P
  • Density: 2.065476325376247
  • Atomic Density: 0.10120187942267092
  • Unit Cell Volume: 948.5989840075479
  • Molar Volume: 5.950621465090044
  • Full Formula: Na4 Co4 P4 H40 C4 O40
  • Reduced Formula: NaCoPH10CO10
  • Formula Anonymous: ABCDE10F10
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -573.9123943000001
  • Final energy per atom: -5.978254107291668
  • 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.