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{
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"results": [
{
"id": "mp-1095716",
"created_at": "2022-09-04T14:40:15.502153Z",
"structure_string": "Zr1 Ti1 Zn2\n1.0\n-5.520015 5.636062 7.823992\n5.520015 -5.636062 7.823992\n5.520015 5.636062 -7.823992\nZr Ti Zn\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Ti\n0.000000 0.245546 0.245546 Zn\n0.000000 0.754454 0.754454 Zn\n",
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"density": 0.46032234265687183,
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"volume": 973.6534540992882,
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"formula_full": "Zr1 Ti1 Zn2",
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{
"id": "mp-1096349",
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"structure_string": "Mn1 Tl1 Pd2\n1.0\n-5.037488 5.849422 8.270153\n5.037488 -5.849422 8.270153\n5.037488 5.849422 -8.270153\nMn Tl Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Tl\n0.000000 0.237690 0.237690 Pd\n0.000000 0.762310 0.762310 Pd\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Mn-Pd-Tl",
"density": 0.8043387881199239,
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"volume": 974.7663182370396,
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"formula_full": "Mn1 Tl1 Pd2",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.926000Z",
"spacegroup": 71
},
{
"id": "mp-1096322",
"created_at": "2022-09-04T14:46:37.245813Z",
"structure_string": "Sc2 Ag1 Rh1\n1.0\n-5.079058 5.781341 8.300991\n5.079058 -5.781341 8.300991\n5.079058 5.781341 -8.300991\nSc Ag Rh\n2 1 1\ndirect\n0.000000 0.220703 0.220703 Sc\n0.000000 0.779297 0.779297 Sc\n0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
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"elements": [
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"Rh"
],
"chemical_system": "Ag-Rh-Sc",
"density": 0.5121060717534336,
"density_atomic": 0.004102591715343893,
"volume": 974.9934376944714,
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"formula_full": "Sc2 Ag1 Rh1",
"formula_reduced": "Sc2AgRh",
"formula_anonymous": "ABC2",
"energy": -15.85535923,
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"energy_above_hull": null,
"is_stable": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -15.85535923,
"band_gap": 0.3464,
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"is_magnetic": true,
"total_magnetization": 1.5943369,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:42.957000Z",
"spacegroup": 71
},
{
"id": "mp-1095743",
"created_at": "2022-09-04T14:41:04.459184Z",
"structure_string": "Sc2 Cu1 Ag1\n1.0\n-5.177162 5.773004 8.168930\n5.177162 -5.773004 8.168930\n5.177162 5.773004 -8.168930\nSc Cu Ag\n2 1 1\ndirect\n0.000000 0.238419 0.238419 Sc\n0.000000 0.761581 0.761581 Sc\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Cu",
"Ag"
],
"chemical_system": "Ag-Cu-Sc",
"density": 0.4443375122353699,
"density_atomic": 0.0040958232993348435,
"volume": 976.6046305390164,
"volume_molar": 147.03126379934378,
"formula_full": "Sc2 Cu1 Ag1",
"formula_reduced": "Sc2CuAg",
"formula_anonymous": "ABC2",
"energy": -11.05934271,
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"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -11.05934271,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 2.5489935,
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"updated_at": "2021-11-28T01:35:11.199000Z",
"spacegroup": 71
},
{
"id": "mp-1095895",
"created_at": "2022-09-04T14:47:05.432711Z",
"structure_string": "Li2 Zn1 Hg1\n1.0\n-5.546521 5.616342 7.843443\n5.546521 -5.616342 7.843443\n5.546521 5.616342 -7.843443\nLi Zn Hg\n2 1 1\ndirect\n0.248743 0.000000 0.248743 Li\n0.751257 0.000000 0.751257 Li\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"Hg"
],
"chemical_system": "Hg-Li-Zn",
"density": 0.47553399684329495,
"density_atomic": 0.004092786100014453,
"volume": 977.3293551758973,
"volume_molar": 147.1403736437322,
"formula_full": "Li2 Zn1 Hg1",
"formula_reduced": "Li2ZnHg",
"formula_anonymous": "ABC2",
"energy": -2.59891284,
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"energy_uncorrected": -2.59891284,
"band_gap": 0.6725999999999999,
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"total_magnetization": 0.0023307,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:47.579000Z",
"spacegroup": 71
},
{
"id": "mp-1097118",
"created_at": "2022-09-04T14:41:14.554542Z",
"structure_string": "Sc2 Al1 Ga1\n1.0\n-5.451718 5.620980 7.977579\n5.451718 -5.620980 7.977579\n5.451718 5.620980 -7.977579\nSc Al Ga\n2 1 1\ndirect\n0.000000 0.252048 0.252048 Sc\n0.000000 0.747952 0.747952 Sc\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Ga\n",
"nsites": 4,
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"elements": [
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"Al",
"Ga"
],
"chemical_system": "Al-Ga-Sc",
"density": 0.3169000368065123,
"density_atomic": 0.004090566556048619,
"volume": 977.8596546938711,
"volume_molar": 147.22021210228718,
"formula_full": "Sc2 Al1 Ga1",
"formula_reduced": "Sc2AlGa",
"formula_anonymous": "ABC2",
"energy": -10.65123567,
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"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -10.65123567,
"band_gap": 0.1660999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0479855,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.066000Z",
"spacegroup": 71
},
{
"id": "mp-1096585",
"created_at": "2022-09-04T14:47:10.976630Z",
"structure_string": "Li1 Mg2 Ir1\n1.0\n-5.443543 5.646810 7.960396\n5.443543 -5.646810 7.960396\n5.443543 5.646810 -7.960396\nLi Mg Ir\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.268372 0.268372 Mg\n0.000000 0.731628 0.731628 Mg\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Ir"
],
"chemical_system": "Ir-Li-Mg",
"density": 0.420353642921845,
"density_atomic": 0.004086772799601136,
"volume": 978.767403069335,
"volume_molar": 147.35687681457978,
"formula_full": "Li1 Mg2 Ir1",
"formula_reduced": "LiMg2Ir",
"formula_anonymous": "ABC2",
"energy": -6.79459369,
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"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -6.79459369,
"band_gap": 0.0756000000000001,
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"is_magnetic": true,
"total_magnetization": 1.9916676,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.691000Z",
"spacegroup": 71
},
{
"id": "mp-1093626",
"created_at": "2022-09-04T14:46:36.733212Z",
"structure_string": "Cd2 Pt1 Au1\n1.0\n-5.250815 5.743710 8.132155\n5.250815 -5.743710 8.132155\n5.250815 5.743710 -8.132155\nCd Pt Au\n2 1 1\ndirect\n0.000000 0.246240 0.246240 Cd\n0.000000 0.753760 0.753760 Cd\n0.000000 0.000000 0.000000 Pt\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
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"elements": [
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"Pt",
"Au"
],
"chemical_system": "Au-Cd-Pt",
"density": 1.044142312738639,
"density_atomic": 0.00407732312892455,
"volume": 981.0358103884338,
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"formula_full": "Cd2 Pt1 Au1",
"formula_reduced": "Cd2PtAu",
"formula_anonymous": "ABC2",
"energy": -6.4343607,
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"energy_uncorrected": -6.4343607,
"band_gap": 0.7411000000000003,
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"is_magnetic": true,
"total_magnetization": 0.925349,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:43.358000Z",
"spacegroup": 71
},
{
"id": "mp-1097538",
"created_at": "2022-09-04T14:42:29.139717Z",
"structure_string": "Zr2 Pd1 Au1\n1.0\n-5.209606 5.862554 8.036255\n5.209606 -5.862554 8.036255\n5.209606 5.862554 -8.036255\nZr Pd Au\n2 1 1\ndirect\n0.000000 0.234481 0.234481 Zr\n0.000000 0.765519 0.765519 Zr\n0.000000 0.000000 0.000000 Pd\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
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"elements": [
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"Pd",
"Au"
],
"chemical_system": "Au-Pd-Zr",
"density": 0.8217355490438394,
"density_atomic": 0.004074314559981851,
"volume": 981.760230122688,
"volume_molar": 147.80745745922047,
"formula_full": "Zr2 Pd1 Au1",
"formula_reduced": "Zr2PdAu",
"formula_anonymous": "ABC2",
"energy": -15.76202355,
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"energy_above_hull": null,
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"energy_uncorrected": -15.76202355,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.462000Z",
"spacegroup": 71
},
{
"id": "mp-1096215",
"created_at": "2022-09-04T14:39:37.467443Z",
"structure_string": "Sc2 Co1 Pt1\n1.0\n-4.581056 6.126871 8.747606\n4.581056 -6.126871 8.747606\n4.581056 6.126871 -8.747606\nSc Co Pt\n2 1 1\ndirect\n0.000000 0.231228 0.231228 Sc\n0.000000 0.768772 0.768772 Sc\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
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"elements": [
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"density": 0.5815196254304432,
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"volume": 982.0950956972043,
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"formula_full": "Sc2 Co1 Pt1",
"formula_reduced": "Sc2CoPt",
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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": "2021-11-28T01:34:31.975000Z",
"spacegroup": 71
},
{
"id": "mp-1093750",
"created_at": "2022-09-04T14:46:36.951300Z",
"structure_string": "Sc1 Ag1 Au2\n1.0\n-5.253800 5.778645 8.088645\n5.253800 -5.778645 8.088645\n5.253800 5.778645 -8.088645\nSc Ag Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Ag\n0.000000 0.242574 0.242573 Au\n0.000000 0.757427 0.757426 Au\n",
"nsites": 4,
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"density": 0.9242901609248934,
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"volume": 982.2800371079124,
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"formula_full": "Sc1 Ag1 Au2",
"formula_reduced": "ScAgAu2",
"formula_anonymous": "ABC2",
"energy": -10.92663971,
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"energy_above_hull": null,
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"energy_uncorrected": -10.92663971,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:38.576000Z",
"spacegroup": 71
},
{
"id": "mp-1096319",
"created_at": "2022-09-04T14:48:30.099178Z",
"structure_string": "Zr2 Tc1 Ag1\n1.0\n-5.142640 5.781079 8.260986\n5.142640 -5.781079 8.260986\n5.142640 5.781079 -8.260986\nZr Tc Ag\n2 1 1\ndirect\n0.000000 0.219665 0.219665 Zr\n0.000000 0.780335 0.780335 Zr\n0.000000 0.000000 0.000000 Tc\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
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"elements": [
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"density": 0.6563684560000945,
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"volume": 982.3967230588026,
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"formula_full": "Zr2 Tc1 Ag1",
"formula_reduced": "Zr2TcAg",
"formula_anonymous": "ABC2",
"energy": -18.18206003,
"energy_per_atom": -4.5455150075,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -18.18206003,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 2.0003324,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:45.721000Z",
"spacegroup": 71
}
]
}