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  1. Third-Parties
  2. MatprojStructure
  3. mp-570583

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-570583
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 3
  • Element list: ['P', 'N', 'Cl']
  • Chemical System: Cl-N-P
  • Density: 1.5147359124748123
  • Atomic Density: 0.029536912916905207
  • Unit Cell Volume: 2437.627798225027
  • Molar Volume: 20.38852461305554
  • Full Formula: P16 N12 Cl44
  • Reduced Formula: P4N3Cl11
  • Formula Anonymous: A3B4C11
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -341.72488502
  • Final energy per atom: -4.746178958611111
  • 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.