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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216497

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-1216497
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 4
  • Element list: ['Zr', 'Ti', 'P', 'O']
  • Chemical System: O-P-Ti-Zr
  • Density: 2.482866321155815
  • Atomic Density: 0.06779790219046274
  • Unit Cell Volume: 707.986507682125
  • Molar Volume: 8.882488344672039
  • Full Formula: Zr1 Ti3 P8 O36
  • Reduced Formula: ZrTi3(P2O9)4
  • Formula Anonymous: AB3C8D36
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -350.11331741
  • Final energy per atom: -7.2940274460416665
  • 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.