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  1. Third-Parties
  2. MatprojStructure
  3. mp-1209243

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-1209243
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 4
  • Element list: ['Pr', 'Zn', 'P', 'O']
  • Chemical System: O-P-Pr-Zn
  • Density: 4.057124244414227
  • Atomic Density: 0.03447915368202035
  • Unit Cell Volume: 174.01819242241976
  • Molar Volume: 17.466034159476287
  • Full Formula: Pr2 Zn1 P2 O1
  • Reduced Formula: Pr2ZnP2O
  • Formula Anonymous: ABC2D2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -28.14714419000001
  • Final energy per atom: -4.691190698333335
  • 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.