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{
"id": "jvasp-79115",
"created_at": "2022-09-04T14:36:47.036478Z",
"updated_at": "2022-09-04T14:36:47.036506Z",
"structure_string": "Yb1 Pr1 Pd2\n1.0\n0.000000 3.546264 3.546264\n3.546264 0.000000 3.546264\n3.546264 3.546264 -0.000000\nYb Pr Pd\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Yb\n0.250000 0.250000 0.250000 Pr\n0.000000 0.000000 0.000000 Pd\n0.499999 0.499999 0.499999 Pd\n",
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{
"id": "jvasp-109070",
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"structure_string": "Pd1 Pt3\n1.0\n3.621311 -0.005836 -3.228468\n-0.731217 3.546724 -3.228468\n0.004763 0.005836 4.851482\nPd Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Pd\n0.749999 0.249999 0.499998 Pt\n0.249999 0.749999 0.499998 Pt\n0.499999 0.499999 -0.000002 Pt\n",
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{
"id": "jvasp-100548",
"created_at": "2022-09-04T14:36:35.701889Z",
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"structure_string": "Pd1 Pt1\n1.0\n2.671397 -0.000176 4.060780\n1.215807 2.378693 4.060780\n-0.000288 -0.000176 4.860688\nPd Pt\n1 1\ndirect\n0.000000 0.000000 0.000000 Pd\n0.500002 0.499998 0.500001 Pt\n",
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"elements": [
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"volume": 30.891780407011222,
"volume_molar": 9.301732496901584,
"formula_full": "Pd1 Pt1",
"formula_reduced": "PdPt",
"formula_anonymous": "AB",
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"spacegroup": 166
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{
"id": "jvasp-41871",
"created_at": "2022-09-04T14:37:30.621688Z",
"updated_at": "2022-09-04T14:37:30.621714Z",
"structure_string": "Sc2 Pd1 Pt1\n1.0\n0.000000 3.293332 3.293332\n3.293332 0.000000 3.293332\n3.293332 3.293332 0.000000\nSc Pd Pt\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.250001 0.250001 0.250001 Pd\n0.750000 0.750000 0.750000 Pt\n",
"nsites": 4,
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"elements": [
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"density": 9.098104878103179,
"density_atomic": 0.05599167420897552,
"volume": 71.43919263908697,
"volume_molar": 10.75542184633344,
"formula_full": "Sc2 Pd1 Pt1",
"formula_reduced": "Sc2PdPt",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.0856019000000003,
"spacegroup": 225
},
{
"id": "jvasp-100348",
"created_at": "2022-09-04T14:36:58.212238Z",
"updated_at": "2022-09-04T14:36:58.212261Z",
"structure_string": "Sn2 Pd3 Pt3\n1.0\n4.045784 -0.000000 0.000000\n-0.000000 4.062248 0.000000\n0.000000 0.000000 8.091611\nSn Pd Pt\n2 3 3\ndirect\n0.000000 0.000000 0.252058 Sn\n0.000000 0.000000 0.747941 Sn\n0.499999 0.500000 0.250125 Pd\n0.499999 0.500000 0.749874 Pd\n0.000000 0.500000 0.500000 Pd\n0.000000 0.500000 0.000000 Pt\n0.499999 0.000000 0.500000 Pt\n0.499999 0.000000 0.000000 Pt\n",
"nsites": 8,
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"elements": [
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],
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"density": 14.258873578123621,
"density_atomic": 0.06015695771459583,
"volume": 132.98544846557238,
"volume_molar": 10.010713621142536,
"formula_full": "Sn2 Pd3 Pt3",
"formula_reduced": "Sn2(PdPt)3",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 1.9413955875,
"spacegroup": 47
},
{
"id": "jvasp-81841",
"created_at": "2022-09-04T14:37:12.257859Z",
"updated_at": "2022-09-04T14:37:12.257879Z",
"structure_string": "Sr2 Pd1 Pt1\n1.0\n-9.561466 0.000000 -5.520315\n-6.326337 -0.405139 -0.083093\n-5.104950 3.049464 -2.198597\nSr Pd Pt\n2 1 1\ndirect\n0.755894 -0.000001 -0.000000 Sr\n0.244107 -0.000000 -0.000000 Sr\n0.000000 0.000000 0.000000 Pd\n0.500000 -0.000000 -0.000000 Pt\n",
"nsites": 4,
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"elements": [
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],
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"density": 7.40032983641531,
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"volume": 106.97523681601513,
"volume_molar": 16.105498348509432,
"formula_full": "Sr2 Pd1 Pt1",
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"spacegroup": 71
},
{
"id": "jvasp-101411",
"created_at": "2022-09-04T14:36:36.777788Z",
"updated_at": "2022-09-04T14:36:36.777808Z",
"structure_string": "Sr2 Pd1 Pt1\n1.0\n4.511854 0.000000 2.604920\n1.503951 4.253817 2.604920\n-0.000000 -0.000000 5.209839\nSr Pd Pt\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.749999 0.750001 0.750000 Sr\n0.499999 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
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"elements": [
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"density": 7.917283396919793,
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"formula_full": "Sr2 Pd1 Pt1",
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},
{
"id": "jvasp-77262",
"created_at": "2022-09-04T14:38:04.608753Z",
"updated_at": "2022-09-04T14:38:04.608777Z",
"structure_string": "Sr2 Pd1 Pt1\n1.0\n-7.231238 -3.475790 -9.850873\n-4.326824 -2.523175 -1.406360\n-2.822228 1.732457 -4.012382\nSr Pd Pt\n2 1 1\ndirect\n0.750122 -0.000123 -0.000124 Sr\n0.249877 0.000124 0.000124 Sr\n0.000000 0.000000 0.000000 Pd\n0.500000 0.000001 0.000000 Pt\n",
"nsites": 4,
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"density": 7.939531155085759,
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"volume": 99.71017448052312,
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"formula_full": "Sr2 Pd1 Pt1",
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"spacegroup": 225
},
{
"id": "jvasp-41521",
"created_at": "2022-09-04T14:37:38.998608Z",
"updated_at": "2022-09-04T14:37:38.998635Z",
"structure_string": "Tm2 Pd1 Pt1\n1.0\n-0.000000 3.438170 3.438170\n3.438170 0.000000 3.438170\n3.438170 3.438170 -0.000000\nTm Pd Pt\n2 1 1\ndirect\n0.499999 0.499999 0.499999 Tm\n0.000000 0.000000 0.000000 Tm\n0.250000 0.250000 0.250000 Pd\n0.750001 0.750001 0.750001 Pt\n",
"nsites": 4,
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"elements": [
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"formula_full": "Tm2 Pd1 Pt1",
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},
{
"id": "jvasp-109330",
"created_at": "2022-09-04T14:38:18.399461Z",
"updated_at": "2022-09-04T14:38:18.399483Z",
"structure_string": "U1 Pd1 Pt4\n1.0\n4.592406 0.000000 2.651427\n1.530802 4.329762 2.651427\n0.000000 0.000000 5.302854\nU Pd Pt\n1 1 4\ndirect\n0.250000 0.250000 0.250000 U\n0.000000 0.000000 0.000000 Pd\n0.625352 0.625351 0.625352 Pt\n0.625352 0.625351 0.123946 Pt\n0.625352 0.123945 0.625351 Pt\n0.123945 0.625351 0.625351 Pt\n",
"nsites": 6,
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],
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"volume": 105.44208144038556,
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"formula_full": "U1 Pd1 Pt4",
"formula_reduced": "UPdPt4",
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},
{
"id": "jvasp-79906",
"created_at": "2022-09-04T14:36:46.379653Z",
"updated_at": "2022-09-04T14:36:46.379678Z",
"structure_string": "Yb2 Pd1 Pt1\n1.0\n0.000000 3.407415 3.407415\n3.407415 -0.000000 3.407415\n3.407415 3.407415 0.000000\nYb Pd Pt\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Yb\n0.250000 0.250000 0.250000 Pd\n0.750002 0.750002 0.750002 Pt\n",
"nsites": 4,
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{
"id": "jvasp-37635",
"created_at": "2022-09-04T14:37:55.226145Z",
"updated_at": "2022-09-04T14:37:55.226162Z",
"structure_string": "Zn2 Pd1 Pt1\n1.0\n0.000000 3.075551 3.075551\n3.075551 -0.000000 3.075551\n3.075551 3.075551 0.000000\nZn Pd Pt\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pt\n",
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}