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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224483

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-1224483
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 77
  • Number of elements: 4
  • Element list: ['Mo', 'P', 'N', 'O']
  • Chemical System: Mo-N-O-P
  • Density: 2.7656023323003365
  • Atomic Density: 0.058285676981369154
  • Unit Cell Volume: 1321.0792768970123
  • Molar Volume: 10.332110857912758
  • Full Formula: Mo12 P1 N3 O61
  • Reduced Formula: Mo12PN3O61
  • Formula Anonymous: AB3C12D61
  • Spacegroup Number: 215
  • Spacegroup Symbol: P-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -483.07155048
  • Final energy per atom: -6.27365649974026
  • 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.