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  1. Third-Parties
  2. MatprojStructure
  3. mp-1190858

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-1190858
  • 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: 42
  • Number of elements: 4
  • Element list: ['Ba', 'Fe', 'P', 'O']
  • Chemical System: Ba-Fe-O-P
  • Density: 3.3619126139043276
  • Atomic Density: 0.07122826811835918
  • Unit Cell Volume: 589.6535337656826
  • Molar Volume: 8.454706142781793
  • Full Formula: Ba2 Fe4 P8 O28
  • Reduced Formula: BaFe2(P2O7)2
  • Formula Anonymous: AB2C4D14
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -330.46249416
  • Final energy per atom: -7.868154622857143
  • 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.