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{
"id": "jvasp-115086",
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"updated_at": "2022-09-04T14:38:44.700458Z",
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{
"id": "jvasp-115085",
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"structure_string": "Hf1 Mg1 O3\n1.0\n4.053149 0.000000 0.000000\n0.000000 4.053149 0.000000\n-0.000000 0.000000 4.053149\nHf Mg O\n1 1 3\ndirect\n0.500001 0.500001 0.500001 Hf\n0.000000 0.000000 0.000000 Mg\n0.500001 0.500001 0.000000 O\n0.500001 0.000000 0.500001 O\n0.000000 0.500001 0.500001 O\n",
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{
"id": "jvasp-115087",
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"structure_string": "Hf1 Mg1 O3\n1.0\n2.737343 -2.795225 -0.135465\n2.737343 2.795225 -0.135465\n-1.040455 0.000000 4.896034\nHf Mg O\n1 1 3\ndirect\n0.030215 0.030215 0.015601 Hf\n0.445393 0.445393 0.712976 Mg\n0.494857 -0.021725 0.880886 O\n-0.021725 0.494857 0.880886 O\n0.164614 0.164614 0.396301 O\n",
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"formula_full": "Hf1 Mg1 O3",
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"formula_anonymous": "ABC3",
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"spacegroup": 8
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{
"id": "jvasp-36587",
"created_at": "2022-09-04T14:36:50.350756Z",
"updated_at": "2022-09-04T14:36:50.350778Z",
"structure_string": "Hf1 Mg1 O3\n1.0\n4.062206 0.000000 0.000000\n0.000000 4.062206 0.000000\n0.000000 -0.000000 4.062206\nHf Mg O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"elements": [
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"density": 6.212680568189414,
"density_atomic": 0.07459061268703215,
"volume": 67.03256374872582,
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"formula_full": "Hf1 Mg1 O3",
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{
"id": "jvasp-41279",
"created_at": "2022-09-04T14:37:56.130439Z",
"updated_at": "2022-09-04T14:37:56.130458Z",
"structure_string": "Hf1 Mg1 Pd2\n1.0\n0.000008 3.250197 3.250196\n3.250199 0.000007 3.250198\n3.250201 3.250201 0.000005\nHf Mg Pd\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Hf\n0.750000 0.750000 0.750001 Mg\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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"formula_full": "Hf1 Mg1 Pd2",
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"spacegroup": 225
},
{
"id": "jvasp-101564",
"created_at": "2022-09-04T14:36:43.360974Z",
"updated_at": "2022-09-04T14:36:43.360997Z",
"structure_string": "Hf1 Mg1 Pt2\n1.0\n3.985732 -0.000000 2.301164\n1.328577 3.757785 2.301164\n-0.000000 -0.000000 4.602327\nHf Mg Pt\n1 1 2\ndirect\n0.500000 0.499999 0.500000 Hf\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Pt\n0.750000 0.749999 0.750000 Pt\n",
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"elements": [
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{
"id": "jvasp-41280",
"created_at": "2022-09-04T14:37:54.369214Z",
"updated_at": "2022-09-04T14:37:54.369235Z",
"structure_string": "Hf1 Mg1 Rh2\n1.0\n0.000000 3.177125 3.177125\n3.177125 0.000000 3.177125\n3.177125 3.177125 0.000000\nHf Mg Rh\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Hf\n0.750001 0.750001 0.750001 Mg\n0.000000 0.000000 0.000000 Rh\n0.500001 0.500001 0.500001 Rh\n",
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"elements": [
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"spacegroup": 225
},
{
"id": "jvasp-123748",
"created_at": "2022-09-04T14:38:53.382975Z",
"updated_at": "2022-09-04T14:38:53.383012Z",
"structure_string": "Hf1 Mn1\n1.0\n1.584973 -2.745254 0.000000\n1.584973 2.745254 0.000000\n0.000000 -0.000000 3.803383\nHf Mn\n1 1\ndirect\n0.333333 0.666665 0.749999 Hf\n0.666665 0.333333 0.250000 Mn\n",
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"elements": [
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"density": 11.71109953486269,
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"volume": 33.09820626224465,
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"formula_full": "Hf1 Mn1",
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"formula_anonymous": "AB",
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"spacegroup": 187
},
{
"id": "jvasp-21693",
"created_at": "2022-09-04T14:36:41.815811Z",
"updated_at": "2022-09-04T14:36:41.815841Z",
"structure_string": "Hf4 Mn8\n1.0\n2.436725 -4.220532 -0.000000\n2.436725 4.220532 -0.000000\n-0.000000 -0.000000 8.117471\nHf Mn\n4 8\ndirect\n0.333334 0.666668 0.563615 Hf\n0.666668 0.333334 0.063615 Hf\n0.666668 0.333334 0.436385 Hf\n0.333334 0.666668 0.936385 Hf\n0.171134 0.828868 0.250000 Mn\n0.828869 0.657737 0.750000 Mn\n0.342265 0.171133 0.750000 Mn\n0.657737 0.828869 0.250000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.828868 0.171134 0.750000 Mn\n0.171133 0.342265 0.250000 Mn\n",
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"elements": [
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"density": 11.47172743413351,
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"formula_full": "Hf4 Mn8",
"formula_reduced": "HfMn2",
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"spacegroup": 194
},
{
"id": "jvasp-68282",
"created_at": "2022-09-04T14:36:15.491896Z",
"updated_at": "2022-09-04T14:36:15.491923Z",
"structure_string": "Hf1 Mn2 Be1\n1.0\n-1.823853 1.823853 3.974348\n1.823853 -1.823853 3.974348\n1.823853 1.823853 -3.974348\nHf Mn Be\n1 2 1\ndirect\n0.749999 0.250000 0.499999 Hf\n0.000000 0.000000 0.000000 Mn\n0.250000 0.749999 0.499999 Mn\n0.500000 0.500000 0.000000 Be\n",
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},
{
"id": "jvasp-71182",
"created_at": "2022-09-04T14:35:58.633928Z",
"updated_at": "2022-09-04T14:35:58.633944Z",
"structure_string": "Hf1 Mn2 Be1\n1.0\n2.834481 0.000000 0.000000\n0.000000 2.834481 0.000000\n-0.000000 0.000000 6.295205\nHf Mn Be\n1 2 1\ndirect\n0.500000 0.500000 0.745124 Hf\n0.000000 0.000000 0.060437 Mn\n0.500000 0.500000 0.249285 Mn\n0.000000 0.000000 0.445154 Be\n",
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},
{
"id": "jvasp-67214",
"created_at": "2022-09-04T14:36:04.058238Z",
"updated_at": "2022-09-04T14:36:04.058262Z",
"structure_string": "Hf1 Mn1 Be1\n1.0\n-1.547428 1.547428 4.227295\n1.547428 -1.547428 4.227295\n1.547428 1.547428 -4.227295\nHf Mn Be\n1 1 1\ndirect\n0.332166 0.332166 0.000000 Hf\n0.641047 0.641047 0.000000 Mn\n0.026787 0.026787 0.000000 Be\n",
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}