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  1. Third-Parties
  2. MatprojStructure
  3. mp-1238312

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-1238312
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 136
  • Number of elements: 5
  • Element list: ['P', 'H', 'S', 'N', 'O']
  • Chemical System: H-N-O-P-S
  • Density: 1.203106251710064
  • Atomic Density: 0.06559941097260183
  • Unit Cell Volume: 2073.189347032424
  • Molar Volume: 9.18017505144246
  • Full Formula: P8 H76 S24 N20 O8
  • Reduced Formula: P2H19S6N5O2
  • Formula Anonymous: A2B2C5D6E19
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -625.54749266
  • Final energy per atom: -4.599613916617647
  • 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.