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{
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"results": [
{
"id": "mp-1095896",
"created_at": "2022-09-04T14:45:17.296733Z",
"structure_string": "Y1 Mg1 Pt2\n1.0\n-5.006636 5.906915 8.349174\n5.006636 -5.906915 8.349174\n5.006636 5.906915 -8.349174\nY Mg Pt\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Mg\n0.000000 0.257527 0.257527 Pt\n0.000000 0.742473 0.742473 Pt\n",
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"density": 0.8463184702410417,
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"volume": 987.6663160702526,
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"formula_full": "Y1 Mg1 Pt2",
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{
"id": "mp-1093875",
"created_at": "2022-09-04T14:45:24.994728Z",
"structure_string": "Zr1 Ag1 Au2\n1.0\n-5.292348 5.749413 8.114990\n5.292348 -5.749413 8.114990\n5.292348 5.749413 -8.114990\nZr Ag Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.500000 0.500000 Ag\n0.000000 0.247970 0.247970 Au\n0.000000 0.752030 0.752030 Au\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ag-Au-Zr",
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"volume": 987.6882348395852,
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"formula_full": "Zr1 Ag1 Au2",
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:06.489000Z",
"spacegroup": 71
},
{
"id": "mp-1095761",
"created_at": "2022-09-04T14:41:10.940089Z",
"structure_string": "Li1 Mg1 Zn2\n1.0\n-5.582149 5.604890 7.895334\n5.582149 -5.604890 7.895334\n5.582149 5.604890 -7.895334\nLi Mg Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Mg\n0.241277 0.000000 0.241277 Zn\n0.758723 0.000000 0.758723 Zn\n",
"nsites": 4,
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"elements": [
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"Mg",
"Zn"
],
"chemical_system": "Li-Mg-Zn",
"density": 0.2723558040525309,
"density_atomic": 0.004048190811961016,
"volume": 988.095716284265,
"volume_molar": 148.7612871954217,
"formula_full": "Li1 Mg1 Zn2",
"formula_reduced": "LiMgZn2",
"formula_anonymous": "ABC2",
"energy": -2.14937922,
"energy_per_atom": -0.537344805,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -2.14937922,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0028383,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.084000Z",
"spacegroup": 71
},
{
"id": "mp-1097127",
"created_at": "2022-09-04T14:47:59.818987Z",
"structure_string": "Na1 Bi1 Pd2\n1.0\n-5.323317 5.416255 8.569197\n5.323317 -5.416255 8.569197\n5.323317 5.416255 -8.569197\nNa Bi Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Bi\n0.000000 0.264810 0.264810 Pd\n0.000000 0.735190 0.735190 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Bi",
"Pd"
],
"chemical_system": "Bi-Na-Pd",
"density": 0.7473813472612426,
"density_atomic": 0.004047421562727665,
"volume": 988.283512850659,
"volume_molar": 148.78956062934844,
"formula_full": "Na1 Bi1 Pd2",
"formula_reduced": "NaBiPd2",
"formula_anonymous": "ABC2",
"energy": -9.8701802,
"energy_per_atom": -2.46754505,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -9.8701802,
"band_gap": 0.387,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 1.4852174,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:26.432000Z",
"spacegroup": 71
},
{
"id": "mp-1097578",
"created_at": "2022-09-04T14:39:12.270356Z",
"structure_string": "Y2 Be1 Ir1\n1.0\n-5.099106 5.852532 8.281605\n5.099106 -5.852532 8.281605\n5.099106 5.852532 -8.281605\nY Be Ir\n2 1 1\ndirect\n0.000000 0.260528 0.260528 Y\n0.000000 0.739472 0.739472 Y\n0.000000 0.000000 0.000000 Be\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
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"elements": [
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"Be",
"Ir"
],
"chemical_system": "Be-Ir-Y",
"density": 0.6366823497683651,
"density_atomic": 0.004046202837864505,
"volume": 988.5811859375567,
"volume_molar": 148.83437636009248,
"formula_full": "Y2 Be1 Ir1",
"formula_reduced": "Y2BeIr",
"formula_anonymous": "ABC2",
"energy": -16.01246685,
"energy_per_atom": -4.0031167125,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -16.01246685,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8660415,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.509000Z",
"spacegroup": 71
},
{
"id": "mp-1096745",
"created_at": "2022-09-04T14:47:11.114603Z",
"structure_string": "Y2 Cu1 Os1\n1.0\n-5.239865 5.789925 8.147044\n5.239865 -5.789925 8.147044\n5.239865 5.789925 -8.147044\nY Cu Os\n2 1 1\ndirect\n0.000000 0.272217 0.272217 Y\n0.000000 0.727783 0.727783 Y\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Os\n",
"nsites": 4,
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"elements": [
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"Cu",
"Os"
],
"chemical_system": "Cu-Os-Y",
"density": 0.7248782472669164,
"density_atomic": 0.004045823215454951,
"volume": 988.6739451986168,
"volume_molar": 148.84834159326493,
"formula_full": "Y2 Cu1 Os1",
"formula_reduced": "Y2CuOs",
"formula_anonymous": "ABC2",
"energy": -18.35818168,
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"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -18.35818168,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0026188,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:00.676000Z",
"spacegroup": 71
},
{
"id": "mp-1095807",
"created_at": "2022-09-04T14:42:46.998643Z",
"structure_string": "Sc1 Sn1 Au2\n1.0\n-5.266316 5.748654 8.168317\n5.266316 -5.748654 8.168317\n5.266316 5.748654 -8.168317\nSc Sn Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Sn\n0.000000 0.243900 0.243900 Au\n0.000000 0.756100 0.756100 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Sn",
"Au"
],
"chemical_system": "Au-Sc-Sn",
"density": 0.9360638263760828,
"density_atomic": 0.004043843420987919,
"volume": 989.1579825370172,
"volume_molar": 148.9212151178885,
"formula_full": "Sc1 Sn1 Au2",
"formula_reduced": "ScSnAu2",
"formula_anonymous": "ABC2",
"energy": -11.97509289,
"energy_per_atom": -2.9937732225,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -11.97509289,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 2.5781559,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.446000Z",
"spacegroup": 71
},
{
"id": "mp-1096742",
"created_at": "2022-09-04T14:39:42.480967Z",
"structure_string": "Y1 Ga1 Pt2\n1.0\n-5.065438 5.878677 8.306200\n5.065438 -5.878677 8.306200\n5.065438 5.878677 -8.306200\nY Ga Pt\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Ga\n0.000000 0.251174 0.251174 Pt\n0.000000 0.748826 0.748826 Pt\n",
"nsites": 4,
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"elements": [
"Y",
"Ga",
"Pt"
],
"chemical_system": "Ga-Pt-Y",
"density": 0.9210892828492202,
"density_atomic": 0.004042974602177369,
"volume": 989.3705485673283,
"volume_molar": 148.9532176817717,
"formula_full": "Y1 Ga1 Pt2",
"formula_reduced": "YGaPt2",
"formula_anonymous": "ABC2",
"energy": -16.71938273,
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"energy_above_hull": null,
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"decomposes_to": null,
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"energy_uncorrected": -16.71938273,
"band_gap": 0.2804999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.54e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.203000Z",
"spacegroup": 71
},
{
"id": "mp-1093727",
"created_at": "2022-09-04T14:41:48.641620Z",
"structure_string": "Li1 Mg2 Au1\n1.0\n-5.534827 5.623704 7.949642\n5.534827 -5.623704 7.949642\n5.534827 5.623704 -7.949642\nLi Mg Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.260442 0.260442 Mg\n0.000000 0.739558 0.739558 Mg\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Au"
],
"chemical_system": "Au-Li-Mg",
"density": 0.42364943336941074,
"density_atomic": 0.0040413449751316105,
"volume": 989.7695011472599,
"volume_molar": 149.0132813965945,
"formula_full": "Li1 Mg2 Au1",
"formula_reduced": "LiMg2Au",
"formula_anonymous": "ABC2",
"energy": -5.31829493,
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"energy_uncorrected": -5.31829493,
"band_gap": 1.1865,
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"total_magnetization": 5.92e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.365000Z",
"spacegroup": 71
},
{
"id": "mp-1096455",
"created_at": "2022-09-04T14:46:26.067152Z",
"structure_string": "Li1 Zr2 Pt1\n1.0\n-5.467634 5.519239 8.203847\n5.467634 -5.519239 8.203847\n5.467634 5.519239 -8.203847\nLi Zr Pt\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.285505 0.285505 Zr\n0.000000 0.714495 0.714495 Zr\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
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"elements": [
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"Zr",
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],
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"density": 0.6447016238314878,
"density_atomic": 0.004039278626333182,
"volume": 990.2758314127891,
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"formula_full": "Li1 Zr2 Pt1",
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"band_gap": 0.0019,
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"updated_at": "2021-11-28T01:37:40.260000Z",
"spacegroup": 71
},
{
"id": "mp-1096524",
"created_at": "2022-09-04T14:43:57.191698Z",
"structure_string": "La2 Cu1 Ge1\n1.0\n-5.359775 5.677750 8.135543\n5.359775 -5.677750 8.135543\n5.359775 5.677750 -8.135543\nLa Cu Ge\n2 1 1\ndirect\n0.000000 0.246736 0.246736 La\n0.000000 0.753264 0.753264 La\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Ge\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.6941876255456633,
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"volume": 990.3058870899384,
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"formula_full": "La2 Cu1 Ge1",
"formula_reduced": "La2CuGe",
"formula_anonymous": "ABC2",
"energy": -11.79404003,
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"energy_above_hull": null,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:37.733000Z",
"spacegroup": 71
},
{
"id": "mp-1093880",
"created_at": "2022-09-04T14:46:14.872761Z",
"structure_string": "Y1 Ti1 Pd2\n1.0\n-4.981525 5.939245 8.368249\n4.981525 -5.939245 8.368249\n4.981525 5.939245 -8.368249\nY Ti Pd\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Ti\n0.000000 0.252602 0.252602 Pd\n0.000000 0.747398 0.747398 Pd\n",
"nsites": 4,
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"elements": [
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"Pd"
],
"chemical_system": "Pd-Ti-Y",
"density": 0.5862034143202323,
"density_atomic": 0.004038981377542616,
"volume": 990.3487107518349,
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"formula_full": "Y1 Ti1 Pd2",
"formula_reduced": "YTiPd2",
"formula_anonymous": "ABC2",
"energy": -17.17801365,
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"energy_above_hull": null,
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"energy_uncorrected": -17.17801365,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 3.0005221,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:22.043000Z",
"spacegroup": 71
}
]
}