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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197779

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-1197779
  • 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: 37
  • Number of elements: 4
  • Element list: ['Cu', 'P', 'N', 'O']
  • Chemical System: Cu-N-O-P
  • Density: 2.7693511493347374
  • Atomic Density: 0.07255938024747773
  • Unit Cell Volume: 509.92717790317914
  • Molar Volume: 8.299603358601368
  • Full Formula: Cu3 P8 N2 O24
  • Reduced Formula: Cu3P8(NO12)2
  • Formula Anonymous: A2B3C8D24
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -258.22841622
  • Final energy per atom: -6.9791463843243235
  • 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.