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{
"id": "jvasp-118791",
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"updated_at": "2022-09-04T14:38:44.221734Z",
"structure_string": "Na1 Pd1 S2\n1.0\n3.193839 -1.844295 0.080469\n3.193839 1.844295 0.080469\n-2.288506 0.000000 6.282888\nNa Pd S\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Pd\n0.266147 0.266147 0.799185 S\n0.733854 0.733854 0.200816 S\n",
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{
"id": "jvasp-118790",
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"structure_string": "Na1 Pd1 S1\n1.0\n2.806654 -0.000000 -0.000000\n-0.000000 2.806654 -0.000000\n0.000000 -0.000000 7.686194\nNa Pd S\n1 1 1\ndirect\n0.000000 0.000000 0.340075 Na\n0.000000 0.000000 0.695668 Pd\n0.000000 0.000000 -0.004470 S\n",
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{
"id": "jvasp-118789",
"created_at": "2022-09-04T14:38:50.159409Z",
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"structure_string": "Na1 Pd1 S1\n1.0\n4.681635 -0.000000 0.000000\n-2.340818 4.054415 -0.000000\n-0.000000 0.000000 2.829003\nNa Pd S\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.333334 0.666666 0.000000 Pd\n0.666668 0.333333 0.000000 S\n",
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"volume": 53.69812965963072,
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},
{
"id": "jvasp-10662",
"created_at": "2022-09-04T14:37:10.906061Z",
"updated_at": "2022-09-04T14:37:10.906080Z",
"structure_string": "Na4 Pd2 S4\n1.0\n3.575628 0.000000 0.000000\n-1.787814 5.164803 0.000000\n0.000000 0.000000 10.850584\nNa Pd S\n4 2 4\ndirect\n0.432281 0.864559 0.876027 Na\n0.567720 0.135440 0.376028 Na\n0.827188 0.654374 0.587958 Na\n0.172814 0.345625 0.087959 Na\n0.134696 0.269392 0.751256 Pd\n0.865305 0.730608 0.251256 Pd\n0.546402 0.092804 0.633128 S\n0.453599 0.907195 0.133128 S\n0.720979 0.441955 0.871629 S\n0.279023 0.558044 0.371629 S\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Na-Pd-S",
"density": 3.588699049412965,
"density_atomic": 0.04990462495795473,
"volume": 200.3822292708366,
"volume_molar": 12.067299904715702,
"formula_full": "Na4 Pd2 S4",
"formula_reduced": "Na2PdS2",
"formula_anonymous": "AB2C2",
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"spacegroup": 36
},
{
"id": "jvasp-38678",
"created_at": "2022-09-04T14:37:20.115282Z",
"updated_at": "2022-09-04T14:37:20.115318Z",
"structure_string": "Na1 Pd3\n1.0\n-2.003119 2.003119 4.006567\n2.003119 -2.003119 4.006567\n2.003119 2.003119 -4.006567\nNa Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.750001 0.250000 0.500000 Pd\n0.250000 0.750001 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n",
"nsites": 4,
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"elements": [
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"density": 8.837844578542285,
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"volume": 64.30517162568333,
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},
{
"id": "jvasp-108660",
"created_at": "2022-09-04T14:38:18.471849Z",
"updated_at": "2022-09-04T14:38:18.471868Z",
"structure_string": "Na3 Pd1\n1.0\n4.365432 -0.000000 2.520383\n1.455144 4.115769 2.520383\n-0.000000 -0.000000 5.040767\nNa Pd\n3 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.749999 0.750000 0.750000 Na\n0.499999 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"density": 3.2157136477254333,
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"volume": 90.56801364706608,
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"spacegroup": 225
},
{
"id": "jvasp-107203",
"created_at": "2022-09-04T14:37:01.690576Z",
"updated_at": "2022-09-04T14:37:01.690594Z",
"structure_string": "Na3 Pd1\n1.0\n4.178878 -0.427447 -2.796593\n-1.426599 3.951018 -2.796593\n0.333881 0.427447 5.017218\nNa Pd\n3 1\ndirect\n0.750000 0.250000 0.500001 Na\n0.250000 0.750000 0.500001 Na\n0.500000 0.500000 0.000001 Na\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"elements": [
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"density": 3.21571486854386,
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"formula_full": "Na3 Pd1",
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"spacegroup": 225
},
{
"id": "jvasp-79057",
"created_at": "2022-09-04T14:36:47.995611Z",
"updated_at": "2022-09-04T14:36:47.995636Z",
"structure_string": "Na1 Tl2 Pb1\n1.0\n0.000000 3.894175 3.894175\n3.894175 -0.000000 3.894175\n3.894175 3.894175 0.000000\nNa Tl Pb\n1 2 1\ndirect\n0.250001 0.250001 0.250001 Na\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Tl\n0.749999 0.749999 0.749999 Pb\n",
"nsites": 4,
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"elements": [
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"Tl",
"Pb"
],
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"density": 8.983465668289648,
"density_atomic": 0.033867536117826,
"volume": 118.10720408133324,
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"formula_full": "Na1 Tl2 Pb1",
"formula_reduced": "NaTl2Pb",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-80951",
"created_at": "2022-09-04T14:36:48.953896Z",
"updated_at": "2022-09-04T14:36:48.953931Z",
"structure_string": "Na2 Tl1 Pb1\n1.0\n-12.756261 2.766344 -2.847409\n-9.027650 0.611613 0.822908\n-7.573806 4.723705 -1.695224\nNa Tl Pb\n2 1 1\ndirect\n0.750025 -0.000019 -0.000020 Na\n0.249976 0.000019 0.000019 Na\n0.000000 0.000000 0.000000 Tl\n0.500001 -0.000000 -0.000001 Pb\n",
"nsites": 4,
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"spacegroup": 139
},
{
"id": "jvasp-37675",
"created_at": "2022-09-04T14:37:56.340497Z",
"updated_at": "2022-09-04T14:37:56.340520Z",
"structure_string": "Na1 Pd2 Pb1\n1.0\n0.000000 3.345596 3.345596\n3.345596 -0.000000 3.345596\n3.345596 3.345596 0.000000\nNa Pd Pb\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Pd\n0.500001 0.500001 0.500001 Pd\n0.750001 0.750001 0.750001 Pb\n",
"nsites": 4,
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"elements": [
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},
{
"id": "jvasp-17752",
"created_at": "2022-09-04T14:37:29.986202Z",
"updated_at": "2022-09-04T14:37:29.986222Z",
"structure_string": "Na1 Pb3\n1.0\n4.916735 0.000000 -0.000000\n-0.000000 4.916735 -0.000000\n0.000000 0.000000 4.916735\nNa Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.499999 0.499999 Pb\n0.499999 0.499999 0.000000 Pb\n0.499999 0.000000 0.499999 Pb\n",
"nsites": 4,
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},
{
"id": "jvasp-23698",
"created_at": "2022-09-04T14:37:36.543687Z",
"updated_at": "2022-09-04T14:37:36.543726Z",
"structure_string": "Na30 Pb8\n1.0\n10.779961 0.000000 -3.811292\n-5.389981 9.335720 -3.811292\n-0.000000 -0.000000 11.433876\nNa Pb\n30 8\ndirect\n0.250000 0.625000 0.375000 Na\n0.886600 0.470052 0.161918 Na\n0.029948 0.916548 0.691865 Na\n0.338083 0.808135 0.724683 Na\n0.613400 0.775318 0.583452 Na\n0.775318 0.583452 0.613401 Na\n0.583452 0.613400 0.775318 Na\n0.386600 0.661917 0.970053 Na\n0.191865 0.416548 0.529948 Na\n0.308135 0.838083 0.224683 Na\n0.083452 0.275318 0.113400 Na\n0.275318 0.113400 0.083452 Na\n0.416548 0.529948 0.191865 Na\n0.224682 0.308135 0.838083 Na\n0.661917 0.970052 0.386600 Na\n0.970052 0.386600 0.661918 Na\n0.838083 0.224682 0.308135 Na\n0.375000 0.250000 0.625000 Na\n0.125000 0.750000 0.875000 Na\n0.875000 0.125000 0.750000 Na\n0.529947 0.191865 0.416549 Na\n0.750000 0.875000 0.125000 Na\n0.113400 0.083452 0.275318 Na\n0.625000 0.375000 0.250000 Na\n0.161917 0.886600 0.470053 Na\n0.470052 0.161917 0.886600 Na\n0.724682 0.338083 0.808136 Na\n0.808135 0.724682 0.338083 Na\n0.691865 0.029948 0.916549 Na\n0.916548 0.691865 0.029948 Na\n0.084269 0.500000 0.000000 Pb\n0.415731 0.415731 0.415731 Pb\n0.584269 0.500000 0.000000 Pb\n0.000000 0.584269 0.500000 Pb\n0.500000 -0.000000 0.584269 Pb\n0.000000 0.084269 0.500000 Pb\n0.500000 -0.000000 0.084269 Pb\n0.915731 0.915731 0.915732 Pb\n",
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