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{
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"results": [
{
"id": "mp-15813",
"created_at": "2022-09-04T14:45:28.966844Z",
"structure_string": "Mn12 W12 C4\n1.0\n0.000000 5.567288 5.567288\n5.567288 0.000000 5.567288\n5.567288 5.567288 0.000000\nMn W C\n12 12 4\ndirect\n0.125000 0.125000 0.125000 Mn\n0.328039 0.328039 0.015884 Mn\n0.015884 0.328039 0.328039 Mn\n0.921961 0.234116 0.921961 Mn\n0.234116 0.921961 0.921961 Mn\n0.921961 0.921961 0.921961 Mn\n0.921961 0.921961 0.234116 Mn\n0.328039 0.015884 0.328039 Mn\n0.625000 0.125000 0.125000 Mn\n0.125000 0.125000 0.625000 Mn\n0.125000 0.625000 0.125000 Mn\n0.328039 0.328039 0.328039 Mn\n0.698480 0.301520 0.698480 W\n0.301520 0.698480 0.301520 W\n0.551520 0.948480 0.551520 W\n0.551520 0.948480 0.948480 W\n0.948480 0.551520 0.551520 W\n0.948480 0.551520 0.948480 W\n0.301520 0.301520 0.698480 W\n0.551520 0.551520 0.948480 W\n0.698480 0.698480 0.301520 W\n0.698480 0.301520 0.301520 W\n0.948480 0.948480 0.551520 W\n0.301520 0.698480 0.698480 W\n0.625000 0.625000 0.625000 C\n0.625000 0.625000 0.125000 C\n0.125000 0.625000 0.625000 C\n0.625000 0.125000 0.625000 C\n",
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"formula_full": "Mn12 W12 C4",
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{
"id": "mp-1194253",
"created_at": "2022-09-04T14:43:52.181690Z",
"structure_string": "Hf18 W8 Se2\n1.0\n4.373547 -7.575206 0.000000\n4.373547 7.575206 0.000000\n0.000000 0.000000 8.656216\nHf W Se\n18 8 2\ndirect\n0.193296 0.806704 0.452262 Hf\n0.193296 0.386591 0.452262 Hf\n0.613409 0.806704 0.452262 Hf\n0.806704 0.193296 0.547738 Hf\n0.806704 0.613409 0.547738 Hf\n0.386591 0.193296 0.547738 Hf\n0.806704 0.193296 0.952262 Hf\n0.806704 0.613409 0.952262 Hf\n0.386591 0.193296 0.952262 Hf\n0.193296 0.806704 0.047738 Hf\n0.193296 0.386591 0.047738 Hf\n0.613409 0.806704 0.047738 Hf\n0.542566 0.457434 0.250000 Hf\n0.542566 0.085133 0.250000 Hf\n0.914867 0.457434 0.250000 Hf\n0.457434 0.542566 0.750000 Hf\n0.457434 0.914867 0.750000 Hf\n0.085133 0.542566 0.750000 Hf\n0.889917 0.110083 0.250000 W\n0.889917 0.779834 0.250000 W\n0.220166 0.110083 0.250000 W\n0.110083 0.889917 0.750000 W\n0.110083 0.220166 0.750000 W\n0.779834 0.889917 0.750000 W\n0.000000 0.000000 0.500000 W\n0.000000 0.000000 0.000000 W\n0.333333 0.666667 0.250000 Se\n0.666667 0.333333 0.750000 Se\n",
"nsites": 28,
"nelements": 3,
"elements": [
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"W",
"Se"
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"chemical_system": "Hf-Se-W",
"density": 14.016485091503762,
"density_atomic": 0.04881706951824699,
"volume": 573.5698655474204,
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"formula_full": "Hf18 W8 Se2",
"formula_reduced": "Hf9W4Se",
"formula_anonymous": "AB4C9",
"energy": -297.69105799,
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"updated_at": "2021-11-28T01:36:20.418000Z",
"spacegroup": 194
},
{
"id": "mp-2685",
"created_at": "2022-09-04T14:41:08.662791Z",
"structure_string": "Hg1 Pd1\n1.0\n3.082769 0.000000 0.000000\n0.000000 3.082769 0.000000\n0.000000 0.000000 3.827903\nHg Pd\n1 1\ndirect\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 2,
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"elements": [
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"density": 14.013890791341007,
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"volume": 36.37834106370129,
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"formula_full": "Hg1 Pd1",
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"formula_anonymous": "AB",
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"updated_at": "2021-11-28T01:35:21.718000Z",
"spacegroup": 123
},
{
"id": "mp-972641",
"created_at": "2022-09-04T14:47:22.734545Z",
"structure_string": "Sm1 Ho1 Ir2\n1.0\n0.000000 3.461036 3.461036\n3.461036 0.000000 3.461036\n3.461036 3.461036 0.000000\nSm Ho Ir\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Ho\n0.750000 0.750000 0.750000 Ir\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 4,
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"elements": [
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"Ho",
"Ir"
],
"chemical_system": "Ho-Ir-Sm",
"density": 14.012890251588173,
"density_atomic": 0.04824048281109243,
"volume": 82.91790974944884,
"volume_molar": 12.483583100903932,
"formula_full": "Sm1 Ho1 Ir2",
"formula_reduced": "SmHoIr2",
"formula_anonymous": "ABC2",
"energy": -29.97970617,
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"total_magnetization": 6.41e-05,
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"updated_at": "2021-11-28T01:38:06.697000Z",
"spacegroup": 225
},
{
"id": "mp-1185491",
"created_at": "2022-09-04T14:41:20.909787Z",
"structure_string": "Lu1 Sc1 Ir2\n1.0\n0.000000 3.296299 3.296299\n3.296299 0.000000 3.296299\n3.296299 3.296299 0.000000\nLu Sc Ir\n1 1 2\ndirect\n0.250001 0.250001 0.250001 Lu\n0.750001 0.750001 0.750001 Sc\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 4,
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"elements": [
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"Sc",
"Ir"
],
"chemical_system": "Ir-Lu-Sc",
"density": 14.009827861919556,
"density_atomic": 0.05584061587567685,
"volume": 71.63244776715163,
"volume_molar": 10.784517085928371,
"formula_full": "Lu1 Sc1 Ir2",
"formula_reduced": "LuScIr2",
"formula_anonymous": "ABC2",
"energy": -32.48952767,
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"total_magnetization": 1.15e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:18.939000Z",
"spacegroup": 225
},
{
"id": "mp-1196005",
"created_at": "2022-09-04T14:42:41.880479Z",
"structure_string": "Nd6 Si22 Pt46\n1.0\n0.000000 8.526180 8.526180\n8.526180 0.000000 8.526180\n8.526180 8.526180 0.000000\nNd Si Pt\n6 22 46\ndirect\n0.000000 0.000000 0.500000 Nd\n0.500000 0.000000 0.500000 Nd\n0.000000 0.500000 0.500000 Nd\n0.500000 0.500000 0.000000 Nd\n0.000000 0.500000 0.000000 Nd\n0.500000 0.000000 0.000000 Nd\n0.828561 0.828561 0.171439 Si\n0.171439 0.828561 0.171439 Si\n0.828561 0.171439 0.171439 Si\n0.171439 0.171439 0.828561 Si\n0.828561 0.171439 0.828561 Si\n0.171439 0.828561 0.828561 Si\n0.834880 0.834880 0.495359 Si\n0.834880 0.495359 0.834880 Si\n0.495359 0.834880 0.834880 Si\n0.834880 0.834880 0.834880 Si\n0.165120 0.165120 0.504641 Si\n0.165120 0.504641 0.165120 Si\n0.504641 0.165120 0.165120 Si\n0.165120 0.165120 0.165120 Si\n0.606644 0.606644 0.180069 Si\n0.606644 0.180069 0.606644 Si\n0.180069 0.606644 0.606644 Si\n0.606644 0.606644 0.606644 Si\n0.393356 0.393356 0.819931 Si\n0.393356 0.819931 0.393356 Si\n0.819931 0.393356 0.393356 Si\n0.393356 0.393356 0.393356 Si\n0.917372 0.917372 0.247883 Pt\n0.917372 0.247883 0.917372 Pt\n0.247883 0.917372 0.917372 Pt\n0.917372 0.917372 0.917372 Pt\n0.082628 0.082628 0.752117 Pt\n0.082628 0.752117 0.082628 Pt\n0.752117 0.082628 0.082628 Pt\n0.082628 0.082628 0.082628 Pt\n0.691772 0.691772 0.924683 Pt\n0.691772 0.924683 0.691772 Pt\n0.924683 0.691772 0.691772 Pt\n0.691772 0.691772 0.691772 Pt\n0.308228 0.308228 0.075317 Pt\n0.308228 0.075317 0.308228 Pt\n0.075317 0.308228 0.308228 Pt\n0.308228 0.308228 0.308228 Pt\n0.625357 0.625357 0.374643 Pt\n0.374643 0.625357 0.374643 Pt\n0.625357 0.374643 0.374643 Pt\n0.374643 0.374643 0.625357 Pt\n0.625357 0.374643 0.625357 Pt\n0.374643 0.625357 0.625357 Pt\n0.748125 0.082929 0.420822 Pt\n0.748125 0.748125 0.420822 Pt\n0.082929 0.748125 0.420822 Pt\n0.748125 0.420822 0.082929 Pt\n0.082929 0.420822 0.748125 Pt\n0.748125 0.420822 0.748125 Pt\n0.420822 0.748125 0.748125 Pt\n0.420822 0.082929 0.748125 Pt\n0.420822 0.748125 0.082929 Pt\n0.082929 0.748125 0.748125 Pt\n0.748125 0.748125 0.082929 Pt\n0.748125 0.082929 0.748125 Pt\n0.251875 0.917071 0.579178 Pt\n0.251875 0.251875 0.579178 Pt\n0.917071 0.251875 0.579178 Pt\n0.251875 0.579178 0.917071 Pt\n0.917071 0.579178 0.251875 Pt\n0.251875 0.579178 0.251875 Pt\n0.579178 0.251875 0.251875 Pt\n0.579178 0.917071 0.251875 Pt\n0.579178 0.251875 0.917071 Pt\n0.917071 0.251875 0.251875 Pt\n0.251875 0.251875 0.917071 Pt\n0.251875 0.917071 0.251875 Pt\n",
"nsites": 74,
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"elements": [
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"Si",
"Pt"
],
"chemical_system": "Nd-Pt-Si",
"density": 14.007831225083374,
"density_atomic": 0.05969503801315614,
"volume": 1239.6340208995462,
"volume_molar": 10.088176438840335,
"formula_full": "Nd6 Si22 Pt46",
"formula_reduced": "Nd3Si11Pt23",
"formula_anonymous": "A3B11C23",
"energy": -492.69942162,
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"updated_at": "2021-11-28T01:35:55.662000Z",
"spacegroup": 225
},
{
"id": "mp-1187524",
"created_at": "2022-09-04T14:42:19.035135Z",
"structure_string": "Tb1 Gd1 Ir2\n1.0\n0.000000 3.462946 3.462946\n3.462946 0.000000 3.462946\n3.462946 3.462946 0.000000\nTb Gd Ir\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Tb\n0.249999 0.249999 0.249999 Gd\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 4,
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"elements": [
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"Gd",
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],
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"density": 14.007411028576337,
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"volume": 83.05526222703234,
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"formula_full": "Tb1 Gd1 Ir2",
"formula_reduced": "TbGdIr2",
"formula_anonymous": "ABC2",
"energy": -39.48127635,
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"updated_at": "2021-11-28T01:35:43.067000Z",
"spacegroup": 225
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{
"id": "mp-1106047",
"created_at": "2022-09-04T14:43:06.294863Z",
"structure_string": "Mg4 Co2 B4 Ir10\n1.0\n9.446889 0.000000 0.000000\n0.000000 9.446889 0.000000\n0.000000 0.000000 2.896575\nMg Co B Ir\n4 2 4 10\ndirect\n0.823460 0.323460 0.000000 Mg\n0.176540 0.676540 0.000000 Mg\n0.323460 0.176540 0.000000 Mg\n0.676540 0.823460 0.000000 Mg\n0.500000 0.500000 0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.626383 0.126383 0.000000 B\n0.373617 0.873617 0.000000 B\n0.126383 0.373617 0.000000 B\n0.873617 0.626383 0.000000 B\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n0.714330 0.570584 0.500000 Ir\n0.285670 0.429416 0.500000 Ir\n0.214330 0.929416 0.500000 Ir\n0.785670 0.070584 0.500000 Ir\n0.429416 0.714330 0.500000 Ir\n0.570584 0.285670 0.500000 Ir\n0.070584 0.214330 0.500000 Ir\n0.929416 0.785670 0.500000 Ir\n",
"nsites": 20,
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"elements": [
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"volume": 258.5011044442902,
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"formula_full": "Mg4 Co2 B4 Ir10",
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{
"id": "mp-571609",
"created_at": "2022-09-04T14:42:18.492386Z",
"structure_string": "Hf6 Ga6 Pt6\n1.0\n3.589120 -6.216539 0.000000\n3.589120 6.216539 0.000000\n0.000000 0.000000 7.066717\nHf Ga Pt\n6 6 6\ndirect\n0.409594 0.385942 0.250000 Hf\n0.590406 0.976348 0.750000 Hf\n0.385942 0.409594 0.750000 Hf\n0.023652 0.614058 0.750000 Hf\n0.976348 0.590406 0.250000 Hf\n0.614058 0.023652 0.250000 Hf\n0.267931 0.000000 0.000000 Ga\n0.267931 0.000000 0.500000 Ga\n0.000000 0.267931 0.500000 Ga\n0.000000 0.267931 0.000000 Ga\n0.732069 0.732069 0.000000 Ga\n0.732069 0.732069 0.500000 Ga\n0.666667 0.333333 0.532586 Pt\n0.000000 0.000000 0.750000 Pt\n0.666667 0.333333 0.967414 Pt\n0.333333 0.666667 0.032586 Pt\n0.333333 0.666667 0.467414 Pt\n0.000000 0.000000 0.250000 Pt\n",
"nsites": 18,
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"density": 14.005892974357284,
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"volume": 315.3438290386592,
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"formula_full": "Hf6 Ga6 Pt6",
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"spacegroup": 190
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{
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"created_at": "2022-09-04T14:40:54.622979Z",
"structure_string": "Sc2 Ir4\n1.0\n0.000000 3.706249 3.706249\n3.706249 0.000000 3.706249\n3.706249 3.706249 0.000000\nSc Ir\n2 4\ndirect\n0.500000 0.500000 0.500000 Sc\n0.750000 0.750000 0.750000 Sc\n0.625000 0.125000 0.125000 Ir\n0.125000 0.125000 0.125000 Ir\n0.125000 0.125000 0.625000 Ir\n0.125000 0.625000 0.125000 Ir\n",
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"formula_full": "Sc2 Ir4",
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{
"id": "mp-1187511",
"created_at": "2022-09-04T14:47:35.668729Z",
"structure_string": "Ti1 Re2 Mo1\n1.0\n0.000000 3.127954 3.127954\n3.127954 0.000000 3.127954\n3.127954 3.127954 0.000000\nTi Re Mo\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Re\n0.750000 0.750000 0.750000 Re\n0.500000 0.500000 0.500000 Mo\n",
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"density": 14.00469634101893,
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"formula_full": "Ti1 Re2 Mo1",
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"updated_at": "2021-11-28T01:38:14.351000Z",
"spacegroup": 225
},
{
"id": "mp-505692",
"created_at": "2022-09-04T14:40:13.998328Z",
"structure_string": "Np10 Ge8\n1.0\n4.214791 -7.300232 0.000000\n4.214791 7.300232 0.000000\n0.000000 0.000000 5.687410\nNp Ge\n10 8\ndirect\n0.333333 0.666667 0.000000 Np\n0.666667 0.333333 0.500000 Np\n0.666667 0.333333 0.000000 Np\n0.333333 0.666667 0.500000 Np\n0.299853 0.000000 0.250000 Np\n0.299853 0.299853 0.750000 Np\n0.000000 0.700147 0.750000 Np\n0.000000 0.299853 0.250000 Np\n0.700147 0.700147 0.250000 Np\n0.700147 0.000000 0.750000 Np\n0.634062 0.000000 0.250000 Ge\n0.634062 0.634062 0.750000 Ge\n0.000000 0.365938 0.750000 Ge\n0.000000 0.634062 0.250000 Ge\n0.365938 0.365938 0.250000 Ge\n0.365938 0.000000 0.750000 Ge\n0.000000 0.000000 0.000000 Ge\n0.000000 0.000000 0.500000 Ge\n",
"nsites": 18,
"nelements": 2,
"elements": [
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"Ge"
],
"chemical_system": "Ge-Np",
"density": 14.001634215060811,
"density_atomic": 0.05142985099083785,
"volume": 349.9912920845653,
"volume_molar": 11.709426809486256,
"formula_full": "Np10 Ge8",
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"updated_at": "2021-11-28T01:34:55.627000Z",
"spacegroup": 193
}
]
}