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  1. Third-Parties
  2. MatprojStructure
  3. mp-8977

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-8977
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 3
  • Element list: ['Ca', 'P', 'N']
  • Chemical System: Ca-N-P
  • Density: 3.312695498562285
  • Atomic Density: 0.07815685238131492
  • Unit Cell Volume: 307.07480238466866
  • Molar Volume: 7.705198682540243
  • Full Formula: Ca8 P4 N12
  • Reduced Formula: Ca2PN3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -168.81599472
  • Final energy per atom: -7.033999779999999
  • 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.