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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196309

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-1196309
  • 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: 284
  • Number of elements: 5
  • Element list: ['Cr', 'P', 'H', 'C', 'O']
  • Chemical System: C-Cr-H-O-P
  • Density: 1.195627477019691
  • Atomic Density: 0.08374856278293026
  • Unit Cell Volume: 3391.1029701620773
  • Molar Volume: 7.190739231679617
  • Full Formula: Cr12 P8 H160 C64 O40
  • Reduced Formula: Cr3P2H40(C8O5)2
  • Formula Anonymous: A2B3C10D16E40
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -1623.86674379
  • Final energy per atom: -5.717840647147888
  • 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.