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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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{
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{
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"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.62071268,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9432054,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:30.180000Z",
"spacegroup": 187
},
{
"id": "mp-1028004",
"created_at": "2022-09-04T14:40:15.288505Z",
"structure_string": "Sr1 Mg14 Zn1\n1.0\n6.513410 0.021396 0.000000\n-3.238176 5.608684 0.000000\n0.000000 0.000000 10.571260\nSr Mg Zn\n1 14 1\ndirect\n0.157776 0.828887 0.125000 Sr\n0.163358 0.331678 0.625000 Mg\n0.167792 0.833895 0.625000 Mg\n0.651085 0.337698 0.125000 Mg\n0.666275 0.329750 0.625000 Mg\n0.651085 0.813386 0.125000 Mg\n0.666275 0.836524 0.625000 Mg\n0.336302 0.175316 0.384690 Mg\n0.336302 0.175316 0.865310 Mg\n0.336302 0.660987 0.384690 Mg\n0.336302 0.660987 0.865310 Mg\n0.839613 0.169807 0.361848 Mg\n0.839613 0.169807 0.888152 Mg\n0.825165 0.662583 0.388443 Mg\n0.825165 0.662583 0.861557 Mg\n0.201591 0.350795 0.125000 Zn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Zn"
],
"chemical_system": "Mg-Sr-Zn",
"density": 2.1170948202169537,
"density_atomic": 0.04135242281543429,
"volume": 386.91807905456494,
"volume_molar": 14.562969591596236,
"formula_full": "Sr1 Mg14 Zn1",
"formula_reduced": "SrMg14Zn",
"formula_anonymous": "ABC14",
"energy": -24.86976775,
"energy_per_atom": -1.554360484375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.86976775,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.8e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.710000Z",
"spacegroup": 38
},
{
"id": "mp-1027997",
"created_at": "2022-09-04T14:41:15.064613Z",
"structure_string": "Sr1 Mg14 Zn1\n1.0\n6.497977 -0.000000 -0.000000\n-3.248989 5.627413 -0.000000\n-0.000000 0.000000 10.533093\nSr Mg Zn\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Sr\n0.161871 0.830935 0.125000 Mg\n0.179910 0.839955 0.625000 Mg\n0.669065 0.338129 0.125000 Mg\n0.660045 0.320090 0.625000 Mg\n0.669065 0.830935 0.125000 Mg\n0.660045 0.839955 0.625000 Mg\n0.333894 0.166106 0.358056 Mg\n0.333894 0.166106 0.891944 Mg\n0.333894 0.667790 0.358056 Mg\n0.333894 0.667790 0.891944 Mg\n0.832210 0.166106 0.358056 Mg\n0.832210 0.166106 0.891944 Mg\n0.833333 0.666667 0.381378 Mg\n0.833333 0.666667 0.868622 Mg\n0.166667 0.333333 0.125000 Zn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Zn"
],
"chemical_system": "Mg-Sr-Zn",
"density": 2.1267500637711403,
"density_atomic": 0.041541015083492366,
"volume": 385.16150767721865,
"volume_molar": 14.496855091037697,
"formula_full": "Sr1 Mg14 Zn1",
"formula_reduced": "SrMg14Zn",
"formula_anonymous": "ABC14",
"energy": -24.68729609,
"energy_per_atom": -1.542956005625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.68729609,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.3e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.289000Z",
"spacegroup": 187
}
]
}