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  1. Third-Parties
  2. MatprojStructure
  3. mp-557754

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-557754
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Zr', 'P', 'O']
  • Chemical System: O-P-Zr
  • Density: 2.73080700572466
  • Atomic Density: 0.06201859239093567
  • Unit Cell Volume: 322.4839395568594
  • Molar Volume: 9.710218384253697
  • Full Formula: Zr2 P4 O14
  • Reduced Formula: ZrP2O7
  • Formula Anonymous: AB2C7
  • Spacegroup Number: 58
  • Spacegroup Symbol: Pnnm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -170.15153125
  • Final energy per atom: -8.5075765625
  • 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.