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  1. Third-Parties
  2. MatprojStructure
  3. mp-1210735

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-1210735
  • 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: 27
  • Number of elements: 6
  • Element list: ['Mg', 'H', 'C', 'S', 'N', 'O']
  • Chemical System: C-H-Mg-N-O-S
  • Density: 1.8113025347853524
  • Atomic Density: 0.09073931989252064
  • Unit Cell Volume: 297.55567963239196
  • Molar Volume: 6.636748839569369
  • Full Formula: Mg1 H8 C6 S2 N2 O8
  • Reduced Formula: MgH8C6S2(NO4)2
  • Formula Anonymous: AB2C2D6E8F8
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -177.93132347
  • Final energy per atom: -6.590049017407408
  • 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.