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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199323

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-1199323
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 5
  • Element list: ['Th', 'P', 'H', 'C', 'O']
  • Chemical System: C-H-O-P-Th
  • Density: 3.415426436452863
  • Atomic Density: 0.0660434952378308
  • Unit Cell Volume: 847.9260493154861
  • Molar Volume: 9.11844646972957
  • Full Formula: Th4 P8 H8 C4 O32
  • Reduced Formula: ThP2H2CO8
  • Formula Anonymous: ABC2D2E8
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -401.06302733
  • Final energy per atom: -7.161839773750001
  • 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.