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  1. Third-Parties
  2. MatprojStructure
  3. mp-768086

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-768086
  • 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: 46
  • Number of elements: 5
  • Element list: ['Na', 'Mn', 'P', 'C', 'O']
  • Chemical System: C-Mn-Na-O-P
  • Density: 2.627266982286088
  • Atomic Density: 0.07444687763371614
  • Unit Cell Volume: 617.8902522456781
  • Molar Volume: 8.08917842012039
  • Full Formula: Na6 Mn4 P4 C4 O28
  • Reduced Formula: Na3Mn2P2(CO7)2
  • Formula Anonymous: A2B2C2D3E14
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -344.7697321
  • Final energy per atom: -7.494994176086957
  • 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.