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  1. Third-Parties
  2. MatprojStructure
  3. mp-694918

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-694918
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 5
  • Element list: ['Na', 'Ca', 'V', 'Co', 'O']
  • Chemical System: Ca-Co-Na-O-V
  • Density: 3.7935948890479874
  • Atomic Density: 0.08075069984948735
  • Unit Cell Volume: 990.7034880083196
  • Molar Volume: 7.457694820261341
  • Full Formula: Na4 Ca8 V12 Co8 O48
  • Reduced Formula: NaCa2V3(CoO6)2
  • Formula Anonymous: AB2C2D3E12
  • Spacegroup Number: 142
  • Spacegroup Symbol: I4_1/acd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -622.99543554
  • Final energy per atom: -7.78744294425
  • 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.