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  1. Third-Parties
  2. MatprojStructure
  3. mp-1179616

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-1179616
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 4
  • Element list: ['Sb', 'P', 'C', 'O']
  • Chemical System: C-O-P-Sb
  • Density: 3.07585113596938
  • Atomic Density: 0.054543611015676154
  • Unit Cell Volume: 953.3655552261638
  • Molar Volume: 11.040964556360603
  • Full Formula: Sb8 P8 C8 O28
  • Reduced Formula: Sb2P2C2O7
  • Formula Anonymous: A2B2C2D7
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -371.73628963
  • Final energy per atom: -7.1487748005769225
  • 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.