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  1. Third-Parties
  2. MatprojStructure
  3. mp-766957

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-766957
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 76
  • Number of elements: 6
  • Element list: ['Fe', 'B', 'P', 'H', 'N', 'O']
  • Chemical System: B-Fe-H-N-O-P
  • Density: 2.5445569091225653
  • Atomic Density: 0.09983040785411108
  • Unit Cell Volume: 761.2910898958154
  • Molar Volume: 6.032371187745282
  • Full Formula: Fe4 B4 P8 H20 N4 O36
  • Reduced Formula: FeBP2H5NO9
  • Formula Anonymous: ABCD2E5F9
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -531.5058903400001
  • Final energy per atom: -6.993498557105264
  • 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.