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  1. Third-Parties
  2. MatprojStructure
  3. mp-1233973

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-1233973
  • 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: 37
  • Number of elements: 6
  • Element list: ['Mg', 'V', 'Cr', 'Fe', 'P', 'O']
  • Chemical System: Cr-Fe-Mg-O-P-V
  • Density: 3.2806642195095015
  • Atomic Density: 0.07975054667478808
  • Unit Cell Volume: 463.9466629724933
  • Molar Volume: 7.551221917709823
  • Full Formula: Mg1 V1 Cr2 Fe3 P6 O24
  • Reduced Formula: MgVCr2Fe3(PO4)6
  • Formula Anonymous: ABC2D3E6F24
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -296.89780658
  • Final energy per atom: -8.024265042702703
  • 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.