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  1. Third-Parties
  2. MatprojStructure
  3. mp-1178797

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-1178797
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 5
  • Element list: ['Y', 'H', 'C', 'N', 'O']
  • Chemical System: C-H-N-O-Y
  • Density: 1.8337760148581983
  • Atomic Density: 0.09492894477317682
  • Unit Cell Volume: 484.57296254490535
  • Molar Volume: 6.3438404107296265
  • Full Formula: Y1 H16 C4 N9 O16
  • Reduced Formula: YH16C4N9O16
  • Formula Anonymous: AB4C9D16E16
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -300.75460399
  • Final energy per atom: -6.538143565
  • 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.