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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199928

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-1199928
  • 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: 52
  • Number of elements: 6
  • Element list: ['Na', 'H', 'C', 'N', 'Cl', 'O']
  • Chemical System: C-Cl-H-N-Na-O
  • Density: 1.4783710070519867
  • Atomic Density: 0.08478181252072489
  • Unit Cell Volume: 613.3390930665538
  • Molar Volume: 7.103104523187552
  • Full Formula: Na4 H24 C4 N8 Cl4 O8
  • Reduced Formula: NaH6CN2ClO2
  • Formula Anonymous: ABCD2E2F6
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -292.07571227999995
  • Final energy per atom: -5.61684062076923
  • 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.