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  1. Third-Parties
  2. MatprojStructure
  3. mp-759615

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-759615
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 6
  • Element list: ['Na', 'Li', 'Ca', 'V', 'P', 'O']
  • Chemical System: Ca-Li-Na-O-P-V
  • Density: 2.9851102491426893
  • Atomic Density: 0.08220712472627666
  • Unit Cell Volume: 778.5213290587582
  • Molar Volume: 7.325570356647063
  • Full Formula: Na8 Li4 Ca4 V4 P8 O36
  • Reduced Formula: Na2LiCaVP2O9
  • Formula Anonymous: ABCD2E2F9
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -457.26983522
  • Final energy per atom: -7.1448411753125
  • 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.