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  1. Third-Parties
  2. MatprojStructure
  3. mp-1191165

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-1191165
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['Zr', 'P', 'N', 'O']
  • Chemical System: N-O-P-Zr
  • Density: 2.4063934564313056
  • Atomic Density: 0.05891441008691995
  • Unit Cell Volume: 407.3706240050841
  • Molar Volume: 10.22184683019855
  • Full Formula: Zr2 P4 N2 O16
  • Reduced Formula: ZrP2NO8
  • Formula Anonymous: ABC2D8
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -184.82413257
  • Final energy per atom: -7.701005523749999
  • 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.