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  1. Third-Parties
  2. MatprojStructure
  3. mp-720100

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-720100
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 70
  • Number of elements: 6
  • Element list: ['Na', 'H', 'C', 'I', 'N', 'O']
  • Chemical System: C-H-I-N-Na-O
  • Density: 1.1116194523997567
  • Atomic Density: 0.06399027251115506
  • Unit Cell Volume: 1093.9162665356253
  • Molar Volume: 9.411025338187446
  • Full Formula: Na2 H36 C18 I2 N6 O6
  • Reduced Formula: NaH18C9I(NO)3
  • Formula Anonymous: ABC3D3E9F18
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -373.68188464
  • Final energy per atom: -5.338312637714286
  • 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.