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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215926

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-1215926
  • 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: 68
  • Number of elements: 4
  • Element list: ['Zr', 'P', 'S', 'O']
  • Chemical System: O-P-S-Zr
  • Density: 2.999034041926281
  • Atomic Density: 0.0655412763306177
  • Unit Cell Volume: 1037.5141255562291
  • Molar Volume: 9.188317800864597
  • Full Formula: Zr8 P8 S4 O48
  • Reduced Formula: Zr2P2SO12
  • Formula Anonymous: AB2C2D12
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -568.0346499
  • Final energy per atom: -8.353450733823529
  • 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.