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{
"id": "jvasp-10993",
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"updated_at": "2022-09-04T14:37:19.983381Z",
"structure_string": "Sr2 Pd2 F8\n1.0\n5.301052 0.000000 -2.515299\n-1.193486 5.164954 -2.515299\n-0.030076 -0.037818 6.780310\nSr Pd F\n2 2 8\ndirect\n0.249999 0.250000 0.499999 Sr\n0.749999 0.749999 0.499999 Sr\n-0.000000 0.500000 -0.000000 Pd\n0.500000 -0.000000 -0.000000 Pd\n0.962522 0.462523 0.264696 F\n0.697825 0.197826 0.735302 F\n0.037476 0.537476 0.735302 F\n0.197826 0.037477 0.735303 F\n0.302173 0.802173 0.264696 F\n0.462522 0.302173 0.264696 F\n0.802172 0.962522 0.264696 F\n0.537475 0.697825 0.735302 F\n",
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{
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"structure_string": "Sr1 Pd5\n1.0\n2.720673 -4.712344 0.000000\n2.720673 4.712344 0.000000\n0.000000 0.000000 4.426860\nSr Pd\n1 5\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666666 0.333333 0.000000 Pd\n0.499999 0.499999 0.500000 Pd\n0.500000 -0.000000 0.500000 Pd\n-0.000000 0.500000 0.500000 Pd\n0.333333 0.666666 0.000000 Pd\n",
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{
"id": "jvasp-21492",
"created_at": "2022-09-04T14:38:16.495504Z",
"updated_at": "2022-09-04T14:38:16.495524Z",
"structure_string": "Sr2 Pd6 O8\n1.0\n5.885451 0.000000 -0.000000\n-0.000000 5.885451 0.000000\n-0.000000 -0.000000 5.885451\nSr Pd O\n2 6 8\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.750000 0.000000 0.500000 Pd\n0.000000 0.500000 0.250000 Pd\n0.000000 0.500000 0.750000 Pd\n0.250000 0.000000 0.500000 Pd\n0.500000 0.750000 0.000000 Pd\n0.500000 0.250000 0.000000 Pd\n0.750000 0.250000 0.250000 O\n0.250000 0.250000 0.750000 O\n0.250000 0.750000 0.250000 O\n0.750000 0.750000 0.750000 O\n0.250000 0.250000 0.250000 O\n0.750000 0.750000 0.250000 O\n0.750000 0.250000 0.750000 O\n0.250000 0.750000 0.750000 O\n",
"nsites": 16,
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"elements": [
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"chemical_system": "O-Pd-Sr",
"density": 7.670927524067942,
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"volume": 203.86339146956138,
"volume_molar": 7.6730877452542625,
"formula_full": "Sr2 Pd6 O8",
"formula_reduced": "SrPd3O4",
"formula_anonymous": "AB3C4",
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"spacegroup": 223
},
{
"id": "jvasp-101609",
"created_at": "2022-09-04T14:36:37.955602Z",
"updated_at": "2022-09-04T14:36:37.955628Z",
"structure_string": "Sr2 Pd6\n1.0\n6.203187 0.000000 0.000000\n-3.101594 5.372117 0.000000\n-0.000000 -0.000000 4.704661\nSr Pd\n2 6\ndirect\n0.333334 0.666667 0.750000 Sr\n0.666667 0.333334 0.250000 Sr\n0.150837 0.301674 0.250000 Pd\n0.698327 0.849163 0.250000 Pd\n0.150838 0.849163 0.250000 Pd\n0.849164 0.698326 0.750000 Pd\n0.301675 0.150837 0.750000 Pd\n0.849163 0.150837 0.750000 Pd\n",
"nsites": 8,
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"elements": [
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"chemical_system": "Pd-Sr",
"density": 8.618997693925126,
"density_atomic": 0.0510271503547677,
"volume": 156.77928209550748,
"volume_molar": 11.801836312886174,
"formula_full": "Sr2 Pd6",
"formula_reduced": "SrPd3",
"formula_anonymous": "AB3",
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"spacegroup": 194
},
{
"id": "jvasp-19757",
"created_at": "2022-09-04T14:38:29.123050Z",
"updated_at": "2022-09-04T14:38:29.123082Z",
"structure_string": "Sr2 Pd4\n1.0\n4.835411 0.000000 2.791726\n1.611804 4.558869 2.791726\n0.000000 -0.000000 5.583452\nSr Pd\n2 4\ndirect\n0.125000 0.125000 0.125000 Sr\n0.874999 0.875000 0.875001 Sr\n-0.000000 0.500000 0.500000 Pd\n0.500000 0.000000 0.500000 Pd\n0.499999 0.500000 0.000001 Pd\n0.499999 0.500000 0.500001 Pd\n",
"nsites": 6,
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"elements": [
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"volume": 123.08164553701788,
"volume_molar": 12.353583239939121,
"formula_full": "Sr2 Pd4",
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"formula_anonymous": "AB2",
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"spacegroup": 227
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{
"id": "jvasp-37084",
"created_at": "2022-09-04T14:38:03.297681Z",
"updated_at": "2022-09-04T14:38:03.297711Z",
"structure_string": "Sr2 Pd2\n1.0\n-4.213818 0.000000 -0.000000\n0.000000 0.000000 -4.540151\n-2.106910 -5.655763 0.000000\nSr Pd\n2 2\ndirect\n0.138942 0.750000 0.722117 Sr\n0.861059 0.250000 0.277882 Sr\n0.425057 0.750000 0.149888 Pd\n0.574944 0.250000 0.850112 Pd\n",
"nsites": 4,
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"elements": [
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"density": 5.9557037313820365,
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"volume": 108.20249462217426,
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"formula_full": "Sr2 Pd2",
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"spacegroup": 63
},
{
"id": "jvasp-118124",
"created_at": "2022-09-04T14:38:49.661538Z",
"updated_at": "2022-09-04T14:38:49.661562Z",
"structure_string": "Sr1 P1 Cl2\n1.0\n4.439099 0.000000 0.000000\n0.000000 4.439099 0.000000\n0.000000 0.000000 5.685997\nSr P Cl\n1 1 2\ndirect\n0.500000 0.500000 0.676886 Sr\n0.000000 0.000000 0.770543 P\n0.000000 0.000000 0.395000 Cl\n0.500000 0.500000 0.167571 Cl\n",
"nsites": 4,
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"elements": [
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"volume": 112.04598209542068,
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"formula_full": "Sr1 P1 Cl2",
"formula_reduced": "SrPCl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.38418498625,
"spacegroup": 99
},
{
"id": "jvasp-118123",
"created_at": "2022-09-04T14:38:50.667307Z",
"updated_at": "2022-09-04T14:38:50.667331Z",
"structure_string": "Sr1 P1 Cl1\n1.0\n3.608765 -0.000000 0.000000\n0.000000 3.608765 0.000000\n0.000000 -0.000000 7.824057\nSr P Cl\n1 1 1\ndirect\n0.000000 0.000000 -0.014089 Sr\n0.000000 0.000000 0.626385 P\n0.000000 0.000000 0.356089 Cl\n",
"nsites": 3,
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"elements": [
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"density": 2.510455119351058,
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"formula_full": "Sr1 P1 Cl1",
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"formula_anonymous": "ABC",
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"spacegroup": 99
},
{
"id": "jvasp-118122",
"created_at": "2022-09-04T14:38:31.414436Z",
"updated_at": "2022-09-04T14:38:31.414456Z",
"structure_string": "Sr1 P1 Cl1\n1.0\n5.309529 0.000000 0.000000\n-2.654764 4.598187 -0.000000\n0.000000 0.000000 3.570061\nSr P Cl\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Sr\n0.333334 0.666667 0.000000 P\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 3,
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"spacegroup": 187
},
{
"id": "jvasp-55531",
"created_at": "2022-09-04T14:37:08.645425Z",
"updated_at": "2022-09-04T14:37:08.645445Z",
"structure_string": "Sr4 Pb4 O12\n1.0\n5.925384 -0.000000 0.000000\n-0.000000 6.093364 0.000000\n0.000000 0.000000 8.427616\nSr Pb O\n4 4 12\ndirect\n0.986031 0.447270 0.250000 Sr\n0.486032 0.052730 0.750000 Sr\n0.513968 0.947270 0.250000 Sr\n0.013968 0.552729 0.750000 Sr\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.000000 Pb\n0.500000 0.500000 0.500000 Pb\n0.000000 0.000000 0.500000 Pb\n0.603684 0.458911 0.750000 O\n0.103684 0.041088 0.250000 O\n0.198789 0.297312 0.945741 O\n0.698788 0.202688 0.054260 O\n0.301211 0.797312 0.554260 O\n0.698788 0.202688 0.445741 O\n0.801211 0.702687 0.054260 O\n0.301211 0.797312 0.945741 O\n0.396315 0.541088 0.250000 O\n0.198789 0.297312 0.554260 O\n0.801211 0.702687 0.445741 O\n0.896315 0.958911 0.750000 O\n",
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"density": 7.483324831936879,
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{
"id": "jvasp-116403",
"created_at": "2022-09-04T14:38:49.240778Z",
"updated_at": "2022-09-04T14:38:49.240813Z",
"structure_string": "Sr1 Pb1 O3\n1.0\n4.272256 -0.000000 -0.000000\n-0.000000 4.272256 -0.000000\n0.000000 0.000000 4.272256\nSr Pb O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Pb\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n",
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},
{
"id": "jvasp-116402",
"created_at": "2022-09-04T14:38:49.209494Z",
"updated_at": "2022-09-04T14:38:49.209510Z",
"structure_string": "Sr1 Pb1 O1\n1.0\n3.681785 1.514466 0.000000\n1.295091 7.155024 0.000000\n0.000000 0.000000 3.749611\nSr Pb O\n1 1 1\ndirect\n0.006484 -0.116536 0.000000 Sr\n-0.029179 0.420378 0.000000 Pb\n0.327539 0.065013 0.000000 O\n",
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}