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  1. Third-Parties
  2. MatprojStructure
  3. mp-1001594

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-1001594
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 2
  • Element list: ['C', 'O']
  • Chemical System: C-O
  • Density: 1.655879043528273
  • Atomic Density: 0.07268099748623257
  • Unit Cell Volume: 1155.7353765805362
  • Molar Volume: 8.285715617951901
  • Full Formula: C48 O36
  • Reduced Formula: C4O3
  • Formula Anonymous: A3B4
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -696.7543307599999
  • Final energy per atom: -8.294694413809523
  • 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.