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{
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{
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{
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{
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{
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{
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"is_magnetic": true,
"total_magnetization": 54.8172329,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.107000Z",
"spacegroup": 1
},
{
"id": "mp-1188476",
"created_at": "2022-09-04T14:39:09.927422Z",
"structure_string": "Ho12 Pt4\n1.0\n6.463587 0.000000 0.000000\n0.000000 6.993932 0.000000\n0.000000 0.000000 9.526833\nHo Pt\n12 4\ndirect\n0.324148 0.682024 0.060032 Ho\n0.175852 0.182024 0.439968 Ho\n0.675852 0.317976 0.560032 Ho\n0.824148 0.817976 0.939968 Ho\n0.675852 0.317976 0.939968 Ho\n0.824148 0.817976 0.560032 Ho\n0.324148 0.682024 0.439968 Ho\n0.175852 0.182024 0.060032 Ho\n0.869251 0.528104 0.250000 Ho\n0.630749 0.028104 0.250000 Ho\n0.130749 0.471896 0.750000 Ho\n0.369251 0.971896 0.750000 Ho\n0.055059 0.890407 0.250000 Pt\n0.444941 0.390407 0.250000 Pt\n0.944941 0.109593 0.750000 Pt\n0.555059 0.609593 0.750000 Pt\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ho",
"Pt"
],
"chemical_system": "Ho-Pt",
"density": 10.639860013459755,
"density_atomic": 0.037151506232313745,
"volume": 430.66894515526997,
"volume_molar": 16.209681304285976,
"formula_full": "Ho12 Pt4",
"formula_reduced": "Ho3Pt",
"formula_anonymous": "AB3",
"energy": -90.76101825,
"energy_per_atom": -5.672563640625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.76101825,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015368,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:27.617000Z",
"spacegroup": 62
},
{
"id": "mp-7206",
"created_at": "2022-09-04T14:39:10.973128Z",
"structure_string": "Tc2 Ag2 O8\n1.0\n-2.717040 2.717040 5.910314\n2.717040 -2.717040 5.910314\n2.717040 2.717040 -5.910314\nTc Ag O\n2 2 8\ndirect\n0.500000 0.500000 0.000000 Tc\n0.250000 0.750000 0.500000 Tc\n0.000000 0.000000 0.000000 Ag\n0.750000 0.250000 0.500000 Ag\n0.184374 0.285765 0.636601 O\n0.297773 0.434374 0.398609 O\n0.035765 0.899164 0.601391 O\n0.649164 0.547773 0.363399 O\n0.100836 0.702227 0.136601 O\n0.714235 0.350836 0.898609 O\n0.452227 0.815626 0.101391 O\n0.565626 0.964235 0.863399 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tc",
"Ag",
"O"
],
"chemical_system": "Ag-O-Tc",
"density": 5.135282421566358,
"density_atomic": 0.06875727179000841,
"volume": 174.52699456501415,
"volume_molar": 8.758551064085585,
"formula_full": "Tc2 Ag2 O8",
"formula_reduced": "TcAgO4",
"formula_anonymous": "ABC4",
"energy": -84.30248705999999,
"energy_per_atom": -7.025207254999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.80648706,
"band_gap": 1.6034000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.2e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:35.731000Z",
"spacegroup": 88
}
]
}