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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204868

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-1204868
  • 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: 42
  • Number of elements: 6
  • Element list: ['Na', 'Ca', 'Mn', 'P', 'H', 'O']
  • Chemical System: Ca-H-Mn-Na-O-P
  • Density: 3.1237183820298196
  • Atomic Density: 0.08590202051852713
  • Unit Cell Volume: 488.92912816808007
  • Molar Volume: 7.01047626545776
  • Full Formula: Na2 Ca2 Mn4 P6 H4 O24
  • Reduced Formula: NaCaMn2P3(HO6)2
  • Formula Anonymous: ABC2D2E3F12
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -316.09778955
  • Final energy per atom: -7.526137846428572
  • 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.