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  1. Third-Parties
  2. MatprojStructure
  3. mp-1189360

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-1189360
  • 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: 17
  • Number of elements: 5
  • Element list: ['Zr', 'P', 'N', 'O', 'F']
  • Chemical System: F-N-O-P-Zr
  • Density: 1.9928708497359668
  • Atomic Density: 0.0543785147672584
  • Unit Cell Volume: 312.6234703680394
  • Molar Volume: 11.074485549623661
  • Full Formula: Zr1 P2 N4 O8 F2
  • Reduced Formula: ZrP2N4(O4F)2
  • Formula Anonymous: AB2C2D4E8
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -116.34976019
  • Final energy per atom: -6.844103540588235
  • 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.