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"results": [
{
"id": "mp-1217394",
"created_at": "2022-09-04T14:40:06.576280Z",
"structure_string": "Th2 U2 Re8\n1.0\n2.725153 -4.720104 0.000000\n2.725153 4.720104 0.000000\n0.000000 0.000000 8.868937\nTh U Re\n2 2 8\ndirect\n0.666667 0.333333 0.433161 Th\n0.333333 0.666667 0.566839 Th\n0.333333 0.666667 0.938697 U\n0.666667 0.333333 0.061303 U\n0.000000 0.000000 0.500000 Re\n0.000000 0.000000 0.000000 Re\n0.659109 0.829555 0.245088 Re\n0.170445 0.829555 0.245088 Re\n0.170445 0.340891 0.245088 Re\n0.340891 0.170445 0.754912 Re\n0.829555 0.170445 0.754912 Re\n0.829555 0.659109 0.754912 Re\n",
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{
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"structure_string": "Ga1 Pt3\n1.0\n3.947594 0.000000 0.000000\n0.000000 3.947594 0.000000\n0.000000 0.000000 3.947594\nGa Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n",
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},
{
"id": "mp-862621",
"created_at": "2022-09-04T14:46:53.386419Z",
"structure_string": "Ga2 Pt6\n1.0\n-2.773160 2.773160 4.002428\n2.773160 -2.773160 4.002428\n2.773160 2.773160 -4.002428\nGa Pt\n2 6\ndirect\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Ga\n0.750000 0.750000 0.000000 Pt\n0.250000 0.250000 0.000000 Pt\n0.206593 0.706593 0.913185 Pt\n0.793407 0.293407 0.086815 Pt\n0.706593 0.793407 0.500000 Pt\n0.293407 0.206593 0.500000 Pt\n",
"nsites": 8,
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"elements": [
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"chemical_system": "Ga-Pt",
"density": 17.66731053473576,
"density_atomic": 0.06497654470938737,
"volume": 123.12135149353693,
"volume_molar": 9.268176365693945,
"formula_full": "Ga2 Pt6",
"formula_reduced": "GaPt3",
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"updated_at": "2021-11-28T01:37:40.782000Z",
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},
{
"id": "mp-1217961",
"created_at": "2022-09-04T14:42:48.134638Z",
"structure_string": "Ta1 Au1\n1.0\n2.927978 0.000000 0.000000\n0.000000 2.927978 0.000000\n0.000000 0.000000 4.144803\nTa Au\n1 1\ndirect\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Au\n",
"nsites": 2,
"nelements": 2,
"elements": [
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"chemical_system": "Au-Ta",
"density": 17.660503544346202,
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"volume": 35.533624781497984,
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"formula_full": "Ta1 Au1",
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"energy": -15.17104794,
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"updated_at": "2021-11-28T01:35:53.716000Z",
"spacegroup": 123
},
{
"id": "mp-1217811",
"created_at": "2022-09-04T14:39:35.499011Z",
"structure_string": "Ta1 W1\n1.0\n1.628874 -2.311410 0.000000\n1.628874 2.311410 0.000000\n0.000000 0.000000 4.555216\nTa W\n1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 W\n",
"nsites": 2,
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"elements": [
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"chemical_system": "Ta-W",
"density": 17.659810867661008,
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"volume": 34.300736870939204,
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"formula_full": "Ta1 W1",
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"energy": -24.95097729,
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"energy_above_hull": null,
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"energy_uncorrected": -24.95097729,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 1.35e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.768000Z",
"spacegroup": 65
},
{
"id": "mp-974589",
"created_at": "2022-09-04T14:41:50.071156Z",
"structure_string": "Re6 Mo2\n1.0\n2.794991 -4.841066 0.000000\n2.794991 4.841066 0.000000\n0.000000 0.000000 4.549566\nRe Mo\n6 2\ndirect\n0.833969 0.166031 0.750000 Re\n0.332063 0.166031 0.750000 Re\n0.833969 0.667937 0.750000 Re\n0.166031 0.833969 0.250000 Re\n0.667937 0.833969 0.250000 Re\n0.166031 0.332063 0.250000 Re\n0.666667 0.333333 0.250000 Mo\n0.333333 0.666667 0.750000 Mo\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"Mo"
],
"chemical_system": "Mo-Re",
"density": 17.65663080297061,
"density_atomic": 0.06497833881308938,
"volume": 123.11795201493305,
"volume_molar": 9.267920463960655,
"formula_full": "Re6 Mo2",
"formula_reduced": "Re3Mo",
"formula_anonymous": "AB3",
"energy": -95.39162484,
"energy_per_atom": -11.923953105,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.465000Z",
"spacegroup": 194
},
{
"id": "mp-1828",
"created_at": "2022-09-04T14:46:09.314552Z",
"structure_string": "Th2 Os4\n1.0\n0.000000 3.865590 3.865590\n3.865590 0.000000 3.865590\n3.865590 3.865590 0.000000\nTh Os\n2 4\ndirect\n0.750000 0.750000 0.750000 Th\n0.500000 0.500000 0.500000 Th\n0.125000 0.125000 0.125000 Os\n0.625000 0.125000 0.125000 Os\n0.125000 0.625000 0.125000 Os\n0.125000 0.125000 0.625000 Os\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Os-Th",
"density": 17.607854773817674,
"density_atomic": 0.05193664448482275,
"volume": 115.52536863934976,
"volume_molar": 11.595167188284233,
"formula_full": "Th2 Os4",
"formula_reduced": "ThOs2",
"formula_anonymous": "AB2",
"energy": -61.27169294,
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"energy_above_hull": null,
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"total_magnetization": 8.5e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:22.605000Z",
"spacegroup": 227
},
{
"id": "mp-977056",
"created_at": "2022-09-04T14:47:28.038014Z",
"structure_string": "Mg1 Pt5\n1.0\n1.396704 5.229376 0.000000\n-1.396704 5.229376 0.000000\n0.000000 1.894813 6.455047\nMg Pt\n1 5\ndirect\n0.611170 0.611170 0.278318 Mg\n0.001204 0.001204 0.999976 Pt\n0.273264 0.273264 0.955579 Pt\n0.666033 0.666033 0.667732 Pt\n0.947468 0.947468 0.602406 Pt\n0.334194 0.334194 0.329322 Pt\n",
"nsites": 6,
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"elements": [
"Mg",
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],
"chemical_system": "Mg-Pt",
"density": 17.605404155582132,
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"volume": 94.29391132894406,
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"formula_full": "Mg1 Pt5",
"formula_reduced": "MgPt5",
"formula_anonymous": "AB5",
"energy": -33.92078382,
"energy_per_atom": -5.65346397,
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"updated_at": "2021-11-28T01:38:13.850000Z",
"spacegroup": 8
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{
"id": "mp-1186856",
"created_at": "2022-09-04T14:39:58.844191Z",
"structure_string": "Pu3 Np1\n1.0\n-2.260818 2.260818 4.471573\n2.260818 -2.260818 4.471573\n2.260818 2.260818 -4.471573\nPu Np\n3 1\ndirect\n0.750000 0.250000 0.500000 Pu\n0.250000 0.750000 0.500000 Pu\n0.500000 0.500000 0.000000 Pu\n0.000000 0.000000 0.000000 Np\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Np-Pu",
"density": 17.600351996589612,
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"volume": 91.42216904793636,
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"formula_full": "Pu3 Np1",
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"updated_at": "2021-11-28T01:34:53.909000Z",
"spacegroup": 139
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{
"id": "mp-1187204",
"created_at": "2022-09-04T14:40:26.226552Z",
"structure_string": "Ta3 Pt1\n1.0\n0.000000 3.265595 3.265595\n3.265595 0.000000 3.265595\n3.265595 3.265595 0.000000\nTa Pt\n3 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.750000 0.750000 0.750000 Ta\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Pt\n",
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"updated_at": "2021-11-28T01:34:56.364000Z",
"spacegroup": 225
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{
"id": "mp-1216725",
"created_at": "2022-09-04T14:46:28.597370Z",
"structure_string": "U1 Pt2 Au3\n1.0\n-2.724853 2.748098 3.841888\n2.724853 -2.748098 3.841888\n2.724853 2.748098 -3.841888\nU Pt Au\n1 2 3\ndirect\n0.005084 0.005084 0.000000 U\n0.623251 0.374072 0.249179 Pt\n0.124893 0.374072 0.750821 Pt\n0.623601 0.374491 0.750890 Au\n0.623601 0.872712 0.249110 Au\n0.249570 0.749570 0.500000 Au\n",
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"volume": 115.07473551014093,
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"formula_full": "U1 Pt2 Au3",
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"spacegroup": 44
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{
"id": "mp-1224823",
"created_at": "2022-09-04T14:46:30.144313Z",
"structure_string": "Ga1 Ge1 Pt6\n1.0\n-2.792330 2.792330 3.975085\n2.792330 -2.792330 3.975085\n2.792330 2.792330 -3.975085\nGa Ge Pt\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.000000 Ge\n0.951653 0.951653 0.412859 Pt\n0.538793 0.538793 0.587141 Pt\n0.048347 0.461207 0.000000 Pt\n0.461207 0.048347 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 8,
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"formula_full": "Ga1 Ge1 Pt6",
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"energy": -47.15183711,
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"updated_at": "2021-11-28T01:37:30.224000Z",
"spacegroup": 121
}
]
}