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{
"id": "jvasp-107954",
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"updated_at": "2022-09-04T14:38:18.063563Z",
"structure_string": "Mg5 Pb1\n1.0\n4.988223 0.016592 3.641141\n1.859235 4.628811 3.641141\n0.024457 0.016592 6.175733\nMg Pb\n5 1\ndirect\n0.000001 0.671067 0.328932 Mg\n0.671067 0.328932 0.000000 Mg\n0.328933 -0.000000 0.671067 Mg\n0.830798 0.830796 0.830796 Mg\n0.169203 0.169203 0.169203 Mg\n0.500001 0.499999 0.500000 Pb\n",
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{
"id": "jvasp-37204",
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"structure_string": "Mg3 Pb1\n1.0\n-2.285093 2.285093 4.605935\n2.285093 -2.285093 4.605935\n2.285093 2.285093 -4.605935\nMg Pb\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.750000 0.250000 0.500000 Mg\n0.250000 0.750000 0.500000 Mg\n0.000000 0.000000 0.000000 Pb\n",
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{
"id": "jvasp-79048",
"created_at": "2022-09-04T14:36:43.707194Z",
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"structure_string": "Mg1 Pb3\n1.0\n-2.416827 2.416827 5.003539\n2.416827 -2.416827 5.003539\n2.416827 2.416827 -5.003539\nMg Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Pb\n0.750000 0.250000 0.500001 Pb\n0.250000 0.750000 0.500001 Pb\n",
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"elements": [
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"density": 9.174646401760544,
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"volume": 116.90374090127969,
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"formula_full": "Mg1 Pb3",
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"spacegroup": 139
},
{
"id": "jvasp-106564",
"created_at": "2022-09-04T14:36:55.072426Z",
"updated_at": "2022-09-04T14:36:55.072452Z",
"structure_string": "Mg2 Pb4\n1.0\n3.523064 0.000000 0.000000\n-1.761532 3.051063 0.000000\n-0.000000 -0.000000 15.942069\nMg Pb\n2 4\ndirect\n0.000000 0.000000 0.341972 Mg\n0.000000 0.000000 0.658028 Mg\n0.333333 0.666666 0.814700 Pb\n0.000000 0.000000 0.000000 Pb\n0.333333 0.666666 0.185300 Pb\n0.333333 0.666666 0.500000 Pb\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Mg-Pb",
"density": 8.502277683290194,
"density_atomic": 0.03501344617025646,
"volume": 171.3627379271491,
"volume_molar": 17.19950881360471,
"formula_full": "Mg2 Pb4",
"formula_reduced": "MgPb2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.186500492,
"spacegroup": 187
},
{
"id": "jvasp-14913",
"created_at": "2022-09-04T14:36:57.289333Z",
"updated_at": "2022-09-04T14:36:57.289362Z",
"structure_string": "Mg1 Pd3\n1.0\n3.959773 0.000000 -0.000000\n0.000000 3.959773 -0.000000\n0.000000 0.000000 3.959773\nMg Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Mg-Pd",
"density": 9.188553362664637,
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"formula_full": "Mg1 Pd3",
"formula_reduced": "MgPd3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.06561399,
"spacegroup": 221
},
{
"id": "jvasp-109058",
"created_at": "2022-09-04T14:37:48.845996Z",
"updated_at": "2022-09-04T14:37:48.846009Z",
"structure_string": "Mg2 Pd1\n1.0\n3.114924 0.001089 -4.567463\n-0.295619 3.100864 -4.567463\n-0.000990 -0.001089 5.528514\nMg Pd\n2 1\ndirect\n0.646928 0.646929 -0.000001 Mg\n0.353070 0.353070 -0.000000 Mg\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 3,
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"elements": [
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],
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"density": 4.8235169395127935,
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"volume": 53.37047111541821,
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"formula_full": "Mg2 Pd1",
"formula_reduced": "Mg2Pd",
"formula_anonymous": "AB2",
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"spacegroup": 139
},
{
"id": "jvasp-38680",
"created_at": "2022-09-04T14:37:49.229901Z",
"updated_at": "2022-09-04T14:37:49.229921Z",
"structure_string": "Mg1 Pd5\n1.0\n-4.188964 2.418500 0.000000\n0.000000 -4.837000 -0.000000\n-1.396321 2.418500 4.577629\nMg Pd\n1 5\ndirect\n0.833332 0.499999 0.500000 Mg\n0.333333 0.667814 -0.000000 Pd\n0.001147 0.999999 0.000000 Pd\n0.501350 0.831981 0.495948 Pd\n0.165316 0.168016 0.504050 Pd\n0.665519 0.332187 -0.000000 Pd\n",
"nsites": 6,
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"elements": [
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],
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"density": 9.961318223482705,
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"volume": 92.75200516870397,
"volume_molar": 9.309427181636382,
"formula_full": "Mg1 Pd5",
"formula_reduced": "MgPd5",
"formula_anonymous": "AB5",
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"spacegroup": 155
},
{
"id": "jvasp-11005",
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"updated_at": "2022-09-04T14:36:49.085738Z",
"structure_string": "Mg4 Pd8\n1.0\n4.164844 -0.000000 0.000000\n0.000000 5.514205 0.000000\n0.000000 0.000000 8.162412\nMg Pd\n4 8\ndirect\n0.749999 0.666883 0.098325 Mg\n0.250000 0.333118 0.901675 Mg\n0.749999 0.166883 0.401675 Mg\n0.250000 0.833118 0.598325 Mg\n0.749999 0.656820 0.427325 Pd\n0.250000 0.343181 0.572675 Pd\n0.749999 0.156820 0.072675 Pd\n0.250000 0.843181 0.927325 Pd\n0.749999 0.570922 0.764750 Pd\n0.250000 0.429079 0.235249 Pd\n0.749999 0.070921 0.735249 Pd\n0.250000 0.929079 0.264750 Pd\n",
"nsites": 12,
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"elements": [
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"density": 8.402778244974419,
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"volume": 187.45635096790815,
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"formula_full": "Mg4 Pd8",
"formula_reduced": "MgPd2",
"formula_anonymous": "AB2",
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"spacegroup": 62
},
{
"id": "jvasp-101589",
"created_at": "2022-09-04T14:36:53.299455Z",
"updated_at": "2022-09-04T14:36:53.299480Z",
"structure_string": "Mg2 Pd6\n1.0\n5.621439 0.000000 0.000000\n-2.810720 4.868308 0.000000\n-0.000000 -0.000000 4.541970\nMg Pd\n2 6\ndirect\n0.666667 0.333333 0.250000 Mg\n0.333334 0.666667 0.750000 Mg\n0.166822 0.333644 0.250000 Pd\n0.166822 0.833179 0.250000 Pd\n0.666356 0.833179 0.250000 Pd\n0.333644 0.166822 0.750000 Pd\n0.833179 0.166822 0.750000 Pd\n0.833179 0.666356 0.750000 Pd\n",
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"spacegroup": 194
},
{
"id": "jvasp-106562",
"created_at": "2022-09-04T14:36:53.676270Z",
"updated_at": "2022-09-04T14:36:53.676288Z",
"structure_string": "Mg1 Pd3\n1.0\n3.638055 0.016443 -3.161031\n-0.745500 3.560890 -3.161031\n-0.013295 -0.016443 4.819479\nMg Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.499999 0.500000 -0.000001 Pd\n0.749998 0.250000 0.499999 Pd\n0.249999 0.750000 0.500000 Pd\n",
"nsites": 4,
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},
{
"id": "jvasp-106778",
"created_at": "2022-09-04T14:36:47.926876Z",
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"structure_string": "Mg1 Pd3\n1.0\n2.825253 -0.003760 8.441903\n1.372028 2.469738 8.441903\n-0.006400 -0.003760 8.902120\nMg Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.253793 0.253794 0.253793 Pd\n0.500000 0.500000 0.499999 Pd\n0.746206 0.746207 0.746206 Pd\n",
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{
"id": "jvasp-14748",
"created_at": "2022-09-04T14:36:39.237380Z",
"updated_at": "2022-09-04T14:36:39.237397Z",
"structure_string": "Mg1 Pd1\n1.0\n3.172946 -0.000000 -0.000000\n-0.000000 3.172946 0.000000\n-0.000000 0.000000 3.172946\nMg Pd\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500001 0.500001 0.500001 Pd\n",
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}