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  1. Third-Parties
  2. MatprojStructure
  3. mp-779301

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-779301
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 5
  • Element list: ['Li', 'Mn', 'V', 'P', 'O']
  • Chemical System: Li-Mn-O-P-V
  • Density: 2.922341377654972
  • Atomic Density: 0.08571846721634264
  • Unit Cell Volume: 933.2878036431758
  • Molar Volume: 7.025488153913057
  • Full Formula: Li12 Mn3 V5 P12 O48
  • Reduced Formula: Li12Mn3V5(PO4)12
  • Formula Anonymous: A3B5C12D12E48
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -611.39953605
  • Final energy per atom: -7.642494200625
  • 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.