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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227779

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-1227779
  • 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: 55
  • Number of elements: 5
  • Element list: ['Co', 'H', 'S', 'N', 'O']
  • Chemical System: Co-H-N-O-S
  • Density: 1.7544965972354074
  • Atomic Density: 0.11277404477283265
  • Unit Cell Volume: 487.7008722245417
  • Molar Volume: 5.340006002383572
  • Full Formula: Co2 H31 S2 N9 O11
  • Reduced Formula: Co2H31S2N9O11
  • Formula Anonymous: A2B2C9D11E31
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -305.97778343
  • Final energy per atom: -5.563232426
  • 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.