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  1. Third-Parties
  2. MatprojStructure
  3. mp-707491

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-707491
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 110
  • Number of elements: 7
  • Element list: ['Re', 'H', 'Pb', 'C', 'S', 'N', 'O']
  • Chemical System: C-H-N-O-Pb-Re-S
  • Density: 4.7716891835164565
  • Atomic Density: 0.06838597198499197
  • Unit Cell Volume: 1608.5170219433408
  • Molar Volume: 8.806105382726187
  • Full Formula: Re12 H24 Pb6 C4 S4 N8 O52
  • Reduced Formula: Re6H12Pb3C2S2(N2O13)2
  • Formula Anonymous: A2B2C3D4E6F12G26
  • Spacegroup Number: 113
  • Spacegroup Symbol: P-42_1m
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -798.01502007
  • Final energy per atom: -7.254682000636364
  • 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.