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  1. Third-Parties
  2. MatprojStructure
  3. mp-555297

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-555297
  • 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: 136
  • Number of elements: 6
  • Element list: ['Ho', 'H', 'C', 'S', 'N', 'O']
  • Chemical System: C-H-Ho-N-O-S
  • Density: 2.4312755493832534
  • Atomic Density: 0.10475626876791458
  • Unit Cell Volume: 1298.2516616862833
  • Molar Volume: 5.748716359249042
  • Full Formula: Ho4 H64 C8 S8 N4 O48
  • Reduced Formula: HoH16C2S2NO12
  • Formula Anonymous: ABC2D2E12F16
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -798.40846804
  • Final energy per atom: -5.870650500294118
  • 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.