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{
"id": "jvasp-41110",
"created_at": "2022-09-04T14:38:03.733154Z",
"updated_at": "2022-09-04T14:38:03.733192Z",
"structure_string": "Pa1 Ag1 Te2\n1.0\n0.000003 3.721256 3.721265\n3.721248 0.000002 3.721266\n3.721251 3.721259 -0.000001\nPa Ag Te\n1 1 2\ndirect\n0.750002 0.750001 0.749999 Pa\n0.250001 0.250001 0.250001 Ag\n0.000001 -0.000000 0.000000 Te\n0.500001 0.499999 0.499999 Te\n",
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{
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"created_at": "2022-09-04T14:38:34.934140Z",
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"structure_string": "Ag2 Pb6\n1.0\n3.403433 -5.894919 -0.000000\n3.403433 5.894919 0.000000\n0.000000 0.000000 5.575707\nAg Pb\n2 6\ndirect\n0.333333 0.666667 0.750000 Ag\n0.666667 0.333333 0.250000 Ag\n0.658078 0.829039 0.250000 Pb\n0.170960 0.829039 0.250000 Pb\n0.170961 0.341921 0.250000 Pb\n0.341921 0.170961 0.750000 Pb\n0.829039 0.170960 0.750000 Pb\n0.829039 0.658078 0.750000 Pb\n",
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{
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"created_at": "2022-09-04T14:37:47.441738Z",
"updated_at": "2022-09-04T14:37:47.441761Z",
"structure_string": "Ag1 Pb3\n1.0\n4.454591 0.134452 -3.961734\n-0.810709 4.382261 -3.961734\n-0.108470 -0.134452 5.960449\nAg Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 Ag\n0.750000 0.250000 0.500000 Pb\n0.250000 0.750000 0.500001 Pb\n0.500000 0.500000 0.000000 Pb\n",
"nsites": 4,
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"elements": [
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"spacegroup": 139
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{
"id": "jvasp-91163",
"created_at": "2022-09-04T14:35:49.090374Z",
"updated_at": "2022-09-04T14:35:49.090396Z",
"structure_string": "Ag1 Pd2 Pb1\n1.0\n-9.403245 0.000000 -5.428966\n-6.024037 -1.097966 -0.423994\n-4.624841 2.859558 -2.847473\nAg Pd Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.751558 1.000002 1.000000 Pd\n0.248441 -0.000000 -0.000000 Pd\n0.500000 -0.000000 -0.000000 Pb\n",
"nsites": 4,
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"elements": [
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"Pd",
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],
"chemical_system": "Ag-Pb-Pd",
"density": 10.918310406445663,
"density_atomic": 0.04982048178203023,
"volume": 80.28826412198129,
"volume_molar": 12.087680697965729,
"formula_full": "Ag1 Pd2 Pb1",
"formula_reduced": "AgPd2Pb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8771873700000001,
"spacegroup": 71
},
{
"id": "jvasp-81878",
"created_at": "2022-09-04T14:37:12.580649Z",
"updated_at": "2022-09-04T14:37:12.580692Z",
"structure_string": "Ag1 Pd2 Pb1\n1.0\n-9.399844 0.000000 -5.427002\n-6.021139 -1.128547 -0.425087\n-4.608325 2.867493 -2.872152\nAg Pd Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.751416 0.000000 -0.000000 Pd\n0.248584 0.000000 -0.000000 Pd\n0.500000 0.000000 -0.000000 Pb\n",
"nsites": 4,
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"density_atomic": 0.05000092419865152,
"volume": 79.99852130948965,
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"formula_full": "Ag1 Pd2 Pb1",
"formula_reduced": "AgPd2Pb",
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"spacegroup": 71
},
{
"id": "jvasp-17477",
"created_at": "2022-09-04T14:38:20.432104Z",
"updated_at": "2022-09-04T14:38:20.432125Z",
"structure_string": "Pr2 Ag2 Pb2\n1.0\n2.447058 -4.238429 0.000000\n2.447058 4.238429 -0.000000\n0.000000 -0.000000 7.756048\nPr Ag Pb\n2 2 2\ndirect\n0.000000 0.000000 0.006272 Pr\n0.000000 0.000000 0.506272 Pr\n0.666667 0.333333 0.699732 Ag\n0.333333 0.666667 0.199732 Ag\n0.333333 0.666667 0.786796 Pb\n0.666667 0.333333 0.286796 Pb\n",
"nsites": 6,
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"elements": [
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"density": 9.4124195095363,
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"volume": 160.8865205347064,
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"formula_full": "Pr2 Ag2 Pb2",
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{
"id": "jvasp-54794",
"created_at": "2022-09-04T14:37:39.785992Z",
"updated_at": "2022-09-04T14:37:39.786012Z",
"structure_string": "Sm2 Ag2 Pb2\n1.0\n2.420153 -4.191828 -0.000000\n2.420153 4.191828 -0.000000\n-0.000000 0.000000 7.597606\nSm Ag Pb\n2 2 2\ndirect\n0.000000 0.000000 0.000269 Sm\n0.000000 0.000000 0.500269 Sm\n0.333332 0.666666 0.812812 Ag\n0.666666 0.333332 0.312812 Ag\n0.666666 0.333332 0.719919 Pb\n0.333332 0.666666 0.219919 Pb\n",
"nsites": 6,
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"elements": [
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"volume": 154.15337605305163,
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"spacegroup": 186
},
{
"id": "jvasp-80161",
"created_at": "2022-09-04T14:37:14.534629Z",
"updated_at": "2022-09-04T14:37:14.534650Z",
"structure_string": "Sr2 Ag1 Pb1\n1.0\n-12.803598 3.333141 -1.949165\n-9.187462 0.771528 1.526461\n-7.579269 5.320186 -1.259011\nSr Ag Pb\n2 1 1\ndirect\n0.756638 0.995965 0.995966 Sr\n0.243360 0.004036 0.004036 Sr\n0.000000 0.000000 0.000000 Ag\n0.499999 0.000001 0.000000 Pb\n",
"nsites": 4,
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"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-91497",
"created_at": "2022-09-04T14:35:43.425085Z",
"updated_at": "2022-09-04T14:35:43.425111Z",
"structure_string": "Ag4 Sb4 Pb4 S12\n1.0\n5.999341 0.043592 0.000000\n-0.243523 7.685208 0.000000\n0.000000 0.000000 12.795199\nAg Sb Pb S\n4 4 4 12\ndirect\n0.224889 0.883921 0.741598 Ag\n0.775111 0.116079 0.258402 Ag\n0.775111 0.616079 0.241598 Ag\n0.224889 0.383921 0.758402 Ag\n0.735219 0.635373 0.911481 Sb\n0.264781 0.864627 0.411480 Sb\n0.264781 0.364627 0.088520 Sb\n0.735219 0.135373 0.588520 Sb\n0.251802 0.853710 0.082847 Pb\n0.251802 0.353709 0.417153 Pb\n0.748199 0.646291 0.582847 Pb\n0.748198 0.146290 0.917153 Pb\n0.856741 0.360313 0.125339 S\n0.260605 0.648755 0.560354 S\n0.143259 0.139687 0.625339 S\n0.260604 0.148755 0.939646 S\n0.739396 0.351245 0.439646 S\n0.143259 0.639687 0.874661 S\n0.856741 0.860313 0.374661 S\n0.739396 0.851245 0.060354 S\n0.340210 0.637245 0.277251 S\n0.340210 0.137245 0.222749 S\n0.659790 0.862755 0.777251 S\n0.659790 0.362755 0.722749 S\n",
"nsites": 24,
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"elements": [
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"S"
],
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"density_atomic": 0.040672890830830206,
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"formula_full": "Ag4 Sb4 Pb4 S12",
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"formula_anonymous": "ABCD3",
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{
"id": "jvasp-107368",
"created_at": "2022-09-04T14:37:01.662515Z",
"updated_at": "2022-09-04T14:37:01.662537Z",
"structure_string": "Ag1 Sb1 Pb2 S4\n1.0\n5.250770 -0.044025 -4.932045\n-1.012590 5.152396 -4.932045\n0.036526 0.044025 7.203771\nAg Sb Pb S\n1 1 2 4\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.000001 Sb\n0.250001 0.750001 0.500001 Pb\n0.750000 0.250000 0.500001 Pb\n0.000001 0.500001 0.500001 S\n0.269514 0.269514 0.000000 S\n0.500000 -0.000000 0.500000 S\n0.730486 0.730486 0.000001 S\n",
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{
"id": "jvasp-18861",
"created_at": "2022-09-04T14:36:57.712728Z",
"updated_at": "2022-09-04T14:36:57.712754Z",
"structure_string": "Tb2 Ag2 Pb2\n1.0\n2.399980 -4.156887 0.000000\n2.399980 4.156887 -0.000000\n-0.000000 0.000000 7.503881\nTb Ag Pb\n2 2 2\ndirect\n0.000000 0.000000 0.997245 Tb\n0.000000 0.000000 0.497245 Tb\n0.666667 0.333333 0.680474 Ag\n0.333333 0.666667 0.180474 Ag\n0.333333 0.666667 0.777080 Pb\n0.666667 0.333333 0.277080 Pb\n",
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},
{
"id": "jvasp-17734",
"created_at": "2022-09-04T14:38:14.949387Z",
"updated_at": "2022-09-04T14:38:14.949406Z",
"structure_string": "Tm3 Ag3 Pb3\n1.0\n3.746325 -6.488824 -0.000000\n3.746325 6.488824 0.000000\n-0.000000 0.000000 4.452145\nTm Ag Pb\n3 3 3\ndirect\n-0.000000 0.424626 0.499999 Tm\n0.575373 0.575373 0.499999 Tm\n0.424626 -0.000000 0.499999 Tm\n0.250263 0.250263 0.000000 Ag\n0.749736 -0.000000 0.000000 Ag\n-0.000000 0.749736 0.000000 Ag\n0.000000 0.000000 0.499999 Pb\n0.333332 0.666666 0.000000 Pb\n0.666666 0.333332 0.000000 Pb\n",
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"spacegroup": 189
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}