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  1. Third-Parties
  2. MatprojStructure
  3. mp-29081

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-29081
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 3
  • Element list: ['P', 'S', 'O']
  • Chemical System: O-P-S
  • Density: 2.046072849569381
  • Atomic Density: 0.055181055244202394
  • Unit Cell Volume: 434.9318782286528
  • Molar Volume: 10.913420798767193
  • Full Formula: P8 S2 O14
  • Reduced Formula: P4SO7
  • Formula Anonymous: AB4C7
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -169.80356996999998
  • Final energy per atom: -7.075148748749999
  • 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.