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{
"id": "jvasp-118125",
"created_at": "2022-09-04T14:38:50.804327Z",
"updated_at": "2022-09-04T14:38:50.804340Z",
"structure_string": "Sr2 P1 Cl1\n1.0\n2.203536 1.272212 7.044329\n-2.203536 1.272212 7.044329\n0.000000 -2.544424 7.044329\nSr P Cl\n2 1 1\ndirect\n0.759716 0.759716 0.759716 Sr\n0.240284 0.240284 0.240284 Sr\n0.500000 0.500000 0.500000 P\n0.000000 0.000000 0.000000 Cl\n",
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{
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"structure_string": "Sr2 Pd1 Au1\n1.0\n-12.038325 2.918464 -2.184498\n-8.757994 0.550512 1.207002\n-7.209412 4.930567 -1.475223\nSr Pd Au\n2 1 1\ndirect\n0.754907 -0.002979 -0.002980 Sr\n0.245095 0.002979 0.002978 Sr\n0.000000 0.000000 0.000000 Pd\n0.500001 -0.000000 -0.000001 Au\n",
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{
"id": "jvasp-100445",
"created_at": "2022-09-04T14:36:40.543305Z",
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"structure_string": "Sr2 Pd1 N2\n1.0\n3.675546 -0.000440 -1.039874\n-0.293752 3.663789 -1.039874\n0.005703 0.006178 7.035910\nSr Pd N\n2 1 2\ndirect\n0.149988 0.649989 0.799977 Sr\n0.850013 0.350012 0.200024 Sr\n0.500000 0.000000 0.500000 Pd\n0.648826 0.148826 0.797652 N\n0.351175 0.851175 0.202349 N\n",
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"elements": [
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"volume": 94.79487542591033,
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"formula_full": "Sr2 Pd1 N2",
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"spacegroup": 139
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{
"id": "jvasp-2340",
"created_at": "2022-09-04T14:36:44.789791Z",
"updated_at": "2022-09-04T14:36:44.789813Z",
"structure_string": "Sr2 Pd1 O3\n1.0\n3.424040 0.000000 -0.900885\n-0.303021 3.839410 -1.151707\n0.004113 -0.012248 6.973039\nSr Pd O\n2 1 3\ndirect\n0.647186 0.647186 0.294371 Sr\n0.352813 0.352813 0.705628 Sr\n0.000000 0.000000 0.000000 Pd\n0.839360 0.839371 0.678720 O\n0.160639 0.160629 0.321279 O\n0.000000 0.500000 -0.000000 O\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "O-Pd-Sr",
"density": 5.9739951909738815,
"density_atomic": 0.06547916590949124,
"volume": 91.63219959602901,
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"formula_full": "Sr2 Pd1 O3",
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"spacegroup": 71
},
{
"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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"density": 7.40032983641531,
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"volume": 106.97523681601513,
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"formula_full": "Sr2 Pd1 Pt1",
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"spacegroup": 71
},
{
"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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"elements": [
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"density": 7.939531155085759,
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"formula_full": "Sr2 Pd1 Pt1",
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{
"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",
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"formula_full": "Sr2 Pd1 Pt1",
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"spacegroup": 225
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{
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"created_at": "2022-09-04T14:38:42.529870Z",
"updated_at": "2022-09-04T14:38:42.529901Z",
"structure_string": "Sr2 P1 F1\n1.0\n2.150804 1.241767 6.135699\n-2.150804 1.241767 6.135699\n0.000000 -2.483534 6.135699\nSr P F\n2 1 1\ndirect\n0.747239 0.747239 0.747233 Sr\n0.252763 0.252763 0.252761 Sr\n0.500001 0.500001 0.499997 P\n0.000000 0.000000 0.000000 F\n",
"nsites": 4,
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"elements": [
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],
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"density": 3.803511179011208,
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"volume": 98.32325474731331,
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"formula_full": "Sr2 P1 F1",
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"formula_anonymous": "ABC2",
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"spacegroup": 166
},
{
"id": "jvasp-117195",
"created_at": "2022-09-04T14:38:49.354834Z",
"updated_at": "2022-09-04T14:38:49.354856Z",
"structure_string": "Sr4 Pr2 Fe6 O18\n1.0\n5.414683 -0.001073 0.034149\n2.712013 4.686553 0.034149\n-0.042284 -0.024379 13.272983\nSr Pr Fe O\n4 2 6 18\ndirect\n0.833082 0.833083 0.082001 Sr\n0.166273 0.166273 0.418163 Sr\n0.166918 0.166917 0.917999 Sr\n0.833727 0.833727 0.581837 Sr\n0.502095 0.502095 0.750060 Pr\n0.497905 0.497905 0.249940 Pr\n0.165937 0.165937 0.665874 Fe\n0.834063 0.834063 0.334126 Fe\n0.499999 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.167346 0.167346 0.165898 Fe\n0.832654 0.832654 0.834102 Fe\n0.670922 0.179967 0.909159 O\n0.327917 0.327917 0.077712 O\n0.343856 0.343856 0.595071 O\n0.009016 0.009015 0.257788 O\n0.672083 0.672083 0.922288 O\n0.342901 0.836136 0.582082 O\n0.012532 0.509124 0.246058 O\n0.490876 0.987468 0.753941 O\n0.987468 0.490876 0.753941 O\n0.820032 0.329078 0.090840 O\n0.836136 0.342901 0.582082 O\n0.509124 0.012532 0.246058 O\n0.179968 0.670921 0.909159 O\n0.656144 0.656144 0.404929 O\n0.657099 0.163864 0.417917 O\n0.329078 0.820033 0.090840 O\n0.163864 0.657099 0.417917 O\n0.990984 0.990985 0.742212 O\n",
"nsites": 30,
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"elements": [
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],
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"formula_full": "Sr4 Pr2 Fe6 O18",
"formula_reduced": "Sr2Pr(FeO3)3",
"formula_anonymous": "AB2C3D9",
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"spacegroup": 12
},
{
"id": "jvasp-101049",
"created_at": "2022-09-04T14:36:36.084714Z",
"updated_at": "2022-09-04T14:36:36.084732Z",
"structure_string": "Sr2 Pr1 Nb1 O6\n1.0\n5.281752 -0.000000 3.049421\n1.760584 4.979684 3.049421\n-0.000000 -0.000000 6.098842\nSr Pr Nb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.749999 0.749999 0.750000 Sr\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Nb\n0.767624 0.232376 0.232375 O\n0.232376 0.767623 0.767624 O\n0.232375 0.767623 0.232376 O\n0.767624 0.232375 0.767625 O\n0.232376 0.232376 0.767624 O\n0.767623 0.767623 0.232376 O\n",
"nsites": 10,
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"elements": [
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],
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"density": 5.228253905660893,
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"volume": 160.40842406488207,
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"formula_full": "Sr2 Pr1 Nb1 O6",
"formula_reduced": "Sr2PrNbO6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-59620",
"created_at": "2022-09-04T14:37:19.190952Z",
"updated_at": "2022-09-04T14:37:19.190974Z",
"structure_string": "Sr4 Pr2 O8\n1.0\n3.721012 0.000000 0.000000\n0.000000 6.260964 -0.000000\n0.000000 0.000000 10.310360\nSr Pr O\n4 2 8\ndirect\n0.500000 0.064913 0.322062 Sr\n0.500000 0.935086 0.677938 Sr\n0.500000 0.435086 0.822062 Sr\n0.500000 0.564913 0.177938 Sr\n0.000000 0.000000 0.000000 Pr\n0.000000 0.500000 0.500000 Pr\n0.000000 0.152747 0.792594 O\n0.000000 0.847252 0.207406 O\n0.000000 0.652747 0.707406 O\n0.000000 0.347253 0.292594 O\n0.500000 0.262982 0.544080 O\n0.500000 0.737017 0.455920 O\n0.500000 0.237017 0.044080 O\n0.500000 0.762982 0.955920 O\n",
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"volume": 240.2017165940893,
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"formula_full": "Sr4 Pr2 O8",
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"formula_anonymous": "AB2C4",
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},
{
"id": "jvasp-108908",
"created_at": "2022-09-04T14:37:27.007396Z",
"updated_at": "2022-09-04T14:37:27.007417Z",
"structure_string": "Sr2 Pr1 Ta1 O6\n1.0\n5.267019 -0.000000 3.040915\n1.755673 4.965793 3.040915\n-0.000000 -0.000000 6.081830\nSr Pr Ta O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.749999 0.749999 Sr\n0.500000 0.500000 0.499999 Pr\n0.000000 0.000000 0.000000 Ta\n0.768562 0.231438 0.231438 O\n0.231438 0.768561 0.768561 O\n0.231438 0.768561 0.231438 O\n0.768562 0.231438 0.768561 O\n0.231438 0.231438 0.768561 O\n0.768561 0.768561 0.231437 O\n",
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}
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}