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  1. Third-Parties
  2. MatprojStructure
  3. mp-28792

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-28792
  • 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: 18
  • Number of elements: 3
  • Element list: ['P', 'N', 'Cl']
  • Chemical System: Cl-N-P
  • Density: 1.7984123288543123
  • Atomic Density: 0.03506852112542212
  • Unit Cell Volume: 513.2808405470886
  • Molar Volume: 17.172497062142682
  • Full Formula: P4 N3 Cl11
  • Reduced Formula: P4N3Cl11
  • Formula Anonymous: A3B4C11
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -85.35090197000001
  • Final energy per atom: -4.741716776111112
  • 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.