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  1. Third-Parties
  2. MatprojStructure
  3. mp-769599

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-769599
  • 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: 22
  • Number of elements: 5
  • Element list: ['Na', 'Cr', 'P', 'C', 'O']
  • Chemical System: C-Cr-Na-O-P
  • Density: 2.533585771178805
  • Atomic Density: 0.07298192593888592
  • Unit Cell Volume: 301.4444976201711
  • Molar Volume: 8.251550890891616
  • Full Formula: Na2 Cr2 P2 C2 O14
  • Reduced Formula: NaCrPCO7
  • Formula Anonymous: ABCDE7
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -169.23144444000002
  • Final energy per atom: -7.692338383636365
  • 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.