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  1. Third-Parties
  2. MatprojStructure
  3. mp-1233397

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-1233397
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 41
  • Number of elements: 6
  • Element list: ['K', 'Mg', 'Fe', 'P', 'O', 'F']
  • Chemical System: F-Fe-K-Mg-O-P
  • Density: 2.754968086401172
  • Atomic Density: 0.06831637697235632
  • Unit Cell Volume: 600.1489220745756
  • Molar Volume: 8.815076306574063
  • Full Formula: K2 Mg1 Fe4 P6 O16 F12
  • Reduced Formula: K2MgFe4P6(O4F3)4
  • Formula Anonymous: AB2C4D6E12F16
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -280.72989726000003
  • Final energy per atom: -6.84707066487805
  • 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.