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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=4417",
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"results": [
{
"id": "jvasp-98681",
"created_at": "2022-09-04T14:35:45.095496Z",
"updated_at": "2022-09-04T14:35:45.095520Z",
"structure_string": "P4 Pd24\n1.0\n5.725170 -0.023249 0.000000\n-2.867537 7.807206 0.000000\n0.000000 0.000000 9.634771\nP Pd\n4 24\ndirect\n0.123031 0.749121 0.759918 P\n0.876969 0.750880 0.259918 P\n0.876969 0.250879 0.240082 P\n0.123031 0.249121 0.740082 P\n0.957443 0.934593 0.865069 Pd\n0.042557 0.565407 0.365069 Pd\n0.380169 0.248065 0.921208 Pd\n0.619831 0.251935 0.421209 Pd\n0.619831 0.751936 0.078791 Pd\n0.380169 0.748065 0.578791 Pd\n0.134296 0.748567 0.078695 Pd\n0.865704 0.751434 0.578695 Pd\n0.865704 0.251434 0.921304 Pd\n0.134296 0.248566 0.421304 Pd\n0.289145 0.064622 0.633881 Pd\n0.710855 0.935378 0.366119 Pd\n0.957443 0.434593 0.634930 Pd\n0.289144 0.564623 0.866118 Pd\n0.227094 0.933225 0.365890 Pd\n0.772906 0.566776 0.865890 Pd\n0.772906 0.066776 0.634110 Pd\n0.227094 0.433224 0.134110 Pd\n0.471775 0.432711 0.632820 Pd\n0.528225 0.067289 0.132820 Pd\n0.528224 0.567290 0.367179 Pd\n0.471775 0.932711 0.867179 Pd\n0.710855 0.435378 0.133881 Pd\n0.042557 0.065407 0.134930 Pd\n",
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{
"id": "jvasp-35222",
"created_at": "2022-09-04T14:37:36.693459Z",
"updated_at": "2022-09-04T14:37:36.693496Z",
"structure_string": "P12 Pd4\n1.0\n-4.129390 -4.129390 4.129390\n-4.129390 4.129390 -4.129390\n4.129390 -4.129390 -4.129390\nP Pd\n12 4\ndirect\n0.865029 0.636712 0.501741 P\n0.134971 0.363288 0.498259 P\n0.134971 0.636712 0.771683 P\n0.865029 0.363288 0.228317 P\n0.636712 0.501741 0.865029 P\n0.363288 0.498259 0.134971 P\n0.636712 0.771683 0.134971 P\n0.363288 0.228317 0.865029 P\n0.501741 0.865029 0.636712 P\n0.498259 0.134971 0.363288 P\n0.771683 0.134971 0.636712 P\n0.228317 0.865029 0.363288 P\n0.500000 0.500000 0.500000 Pd\n0.500000 0.000000 0.000000 Pd\n0.000000 0.500000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n",
"nsites": 16,
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"elements": [
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"density": 4.700982645888318,
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"volume": 281.6551499323681,
"volume_molar": 10.601043491697657,
"formula_full": "P12 Pd4",
"formula_reduced": "P3Pd",
"formula_anonymous": "AB3",
"energy_above_hull": 2.58212555,
"spacegroup": 204
},
{
"id": "jvasp-3978",
"created_at": "2022-09-04T14:36:40.745639Z",
"updated_at": "2022-09-04T14:36:40.745665Z",
"structure_string": "P4 Pd2\n1.0\n4.232091 -0.021460 -1.678016\n-1.254361 4.174698 -1.313492\n-0.011933 0.004450 5.855121\nP Pd\n4 2\ndirect\n0.023263 0.064184 0.334561 P\n0.229623 0.688703 0.165439 P\n0.770378 0.311298 0.834561 P\n0.976738 0.935817 0.665439 P\n0.500000 0.500000 0.500000 Pd\n0.500000 -0.000000 -0.000000 Pd\n",
"nsites": 6,
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"elements": [
"P",
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"chemical_system": "P-Pd",
"density": 5.416181793901236,
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"volume": 103.23909417646523,
"volume_molar": 10.362005951092831,
"formula_full": "P4 Pd2",
"formula_reduced": "P2Pd",
"formula_anonymous": "AB2",
"energy_above_hull": 2.1106089000000003,
"spacegroup": 15
},
{
"id": "jvasp-16351",
"created_at": "2022-09-04T14:37:56.359656Z",
"updated_at": "2022-09-04T14:37:56.359682Z",
"structure_string": "Pr2 P2 Pd2\n1.0\n2.127190 -3.684402 -0.000000\n2.127190 3.684402 -0.000000\n0.000000 -0.000000 7.958300\nPr P Pd\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.666667 0.333333 0.250000 P\n0.333333 0.666667 0.750000 P\n0.333333 0.666667 0.250000 Pd\n0.666667 0.333333 0.750000 Pd\n",
"nsites": 6,
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"elements": [
"Pr",
"P",
"Pd"
],
"chemical_system": "P-Pd-Pr",
"density": 7.409193016035369,
"density_atomic": 0.04809807067309458,
"volume": 124.74512836034232,
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"formula_full": "Pr2 P2 Pd2",
"formula_reduced": "PrPPd",
"formula_anonymous": "ABC",
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"spacegroup": 194
},
{
"id": "jvasp-4534",
"created_at": "2022-09-04T14:37:36.213287Z",
"updated_at": "2022-09-04T14:37:36.213314Z",
"structure_string": "P8 Pd8 S8\n1.0\n5.731121 0.000000 0.000000\n-0.000000 5.756243 0.000000\n0.000000 0.000000 13.588363\nP Pd S\n8 8 8\ndirect\n0.869039 0.217619 0.581248 P\n0.869039 0.282381 0.418751 P\n0.630961 0.782381 0.081248 P\n0.369038 0.217619 0.918751 P\n0.369038 0.282381 0.081248 P\n0.130961 0.717618 0.581248 P\n0.130961 0.782381 0.418751 P\n0.630961 0.717618 0.918751 P\n0.252015 0.660635 0.112079 Pd\n0.252015 0.839364 0.887921 Pd\n0.247984 0.160636 0.387921 Pd\n0.247984 0.339364 0.612079 Pd\n0.747984 0.339364 0.887921 Pd\n0.747984 0.160636 0.112079 Pd\n0.752015 0.839364 0.612079 Pd\n0.752015 0.660635 0.387921 Pd\n0.363671 0.953064 0.652640 S\n0.136329 0.046936 0.152640 S\n0.136329 0.453064 0.847359 S\n0.636329 0.453064 0.652640 S\n0.863671 0.546936 0.152640 S\n0.863671 0.953064 0.847359 S\n0.363671 0.546936 0.347360 S\n0.636329 0.046936 0.347360 S\n",
"nsites": 24,
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"elements": [
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"S"
],
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"density": 5.021775302996859,
"density_atomic": 0.053538402015806646,
"volume": 448.27636045084523,
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"formula_full": "P8 Pd8 S8",
"formula_reduced": "PPdS",
"formula_anonymous": "ABC",
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"spacegroup": 60
},
{
"id": "jvasp-9375",
"created_at": "2022-09-04T14:38:32.575864Z",
"updated_at": "2022-09-04T14:38:32.575892Z",
"structure_string": "P2 Pd3 S8\n1.0\n3.458416 -5.990152 -0.000000\n3.458416 5.990152 -0.000000\n0.000000 -0.000000 7.335417\nP Pd S\n2 3 8\ndirect\n0.666667 0.333334 0.334145 P\n0.333334 0.666667 0.665855 P\n0.500000 0.000000 0.000000 Pd\n0.000000 0.500000 0.000000 Pd\n0.500001 0.500001 0.000000 Pd\n0.179170 0.358340 0.813098 S\n0.333334 0.666667 0.404176 S\n0.666667 0.333334 0.595825 S\n0.820831 0.641662 0.186903 S\n0.820831 0.179170 0.186903 S\n0.358340 0.179170 0.186903 S\n0.641662 0.820831 0.813098 S\n0.179170 0.820831 0.813098 S\n",
"nsites": 13,
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"elements": [
"P",
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"S"
],
"chemical_system": "P-Pd-S",
"density": 3.4842906957123074,
"density_atomic": 0.042773370611593385,
"volume": 303.9274159160245,
"volume_molar": 14.079182149764337,
"formula_full": "P2 Pd3 S8",
"formula_reduced": "P2Pd3S8",
"formula_anonymous": "A2B3C8",
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"spacegroup": 164
},
{
"id": "jvasp-19025",
"created_at": "2022-09-04T14:36:50.821919Z",
"updated_at": "2022-09-04T14:36:50.821946Z",
"structure_string": "P8 Pd8 Se8\n1.0\n5.899200 -0.000000 0.000000\n0.000000 5.936904 0.000000\n0.000000 0.000000 13.896693\nP Pd Se\n8 8 8\ndirect\n0.623825 0.287053 0.078376 P\n0.623825 0.212946 0.921624 P\n0.876175 0.787053 0.421624 P\n0.876175 0.712946 0.578376 P\n0.376175 0.712946 0.921624 P\n0.376175 0.787053 0.078376 P\n0.123825 0.212946 0.578376 P\n0.123825 0.287053 0.421624 P\n0.259293 0.154984 0.108674 Pd\n0.259293 0.345016 0.891326 Pd\n0.240707 0.654983 0.391326 Pd\n0.240707 0.845016 0.608674 Pd\n0.740707 0.845016 0.891326 Pd\n0.740707 0.654983 0.108674 Pd\n0.759294 0.345016 0.608674 Pd\n0.759294 0.154984 0.391326 Pd\n0.366097 0.040309 0.343517 Se\n0.366097 0.459691 0.656483 Se\n0.133903 0.540309 0.156483 Se\n0.133903 0.959690 0.843517 Se\n0.633903 0.959690 0.656483 Se\n0.633903 0.540309 0.343517 Se\n0.866097 0.459691 0.843517 Se\n0.866097 0.040309 0.156483 Se\n",
"nsites": 24,
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"elements": [
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],
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"density_atomic": 0.04931132039448608,
"volume": 486.7036576591781,
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"formula_full": "P8 Pd8 Se8",
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"formula_anonymous": "ABC",
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"spacegroup": 60
},
{
"id": "jvasp-4418",
"created_at": "2022-09-04T14:36:38.399058Z",
"updated_at": "2022-09-04T14:36:38.399070Z",
"structure_string": "P8 Pd8 Se8\n1.0\n5.899147 0.000000 0.000000\n0.000000 5.936698 0.000000\n0.000000 0.000000 13.896971\nP Pd Se\n8 8 8\ndirect\n0.623830 0.287052 0.578373 P\n0.623830 0.212948 0.421627 P\n0.876170 0.787052 0.921627 P\n0.876170 0.712948 0.078373 P\n0.376170 0.712948 0.421627 P\n0.376170 0.787052 0.578373 P\n0.123830 0.212948 0.078373 P\n0.123830 0.287052 0.921627 P\n0.259301 0.154981 0.608666 Pd\n0.259301 0.345019 0.391334 Pd\n0.240699 0.654981 0.891334 Pd\n0.240699 0.845019 0.108666 Pd\n0.740700 0.845019 0.391334 Pd\n0.740700 0.654981 0.608666 Pd\n0.759301 0.345019 0.108666 Pd\n0.759301 0.154981 0.891334 Pd\n0.366101 0.040306 0.843522 Se\n0.366101 0.459694 0.156478 Se\n0.133900 0.540306 0.656478 Se\n0.133900 0.959694 0.343522 Se\n0.633900 0.959694 0.156478 Se\n0.633900 0.540306 0.843522 Se\n0.866101 0.459694 0.343522 Se\n0.866101 0.040306 0.656478 Se\n",
"nsites": 24,
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"formula_full": "P8 Pd8 Se8",
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{
"id": "jvasp-16352",
"created_at": "2022-09-04T14:37:52.149270Z",
"updated_at": "2022-09-04T14:37:52.149296Z",
"structure_string": "Sm2 P2 Pd2\n1.0\n2.106679 -3.648875 0.000000\n2.106679 3.648875 0.000000\n-0.000000 -0.000000 7.721692\nSm P Pd\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Sm\n0.000000 0.000000 0.000000 Sm\n0.666667 0.333334 0.250000 P\n0.333334 0.666667 0.750000 P\n0.333334 0.666667 0.250000 Pd\n0.666667 0.333334 0.750000 Pd\n",
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"formula_full": "Sm2 P2 Pd2",
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"formula_anonymous": "ABC",
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},
{
"id": "jvasp-35469",
"created_at": "2022-09-04T14:37:37.292759Z",
"updated_at": "2022-09-04T14:37:37.292774Z",
"structure_string": "Sn1 P1 Pd5\n1.0\n3.991628 0.000000 0.000000\n0.000000 3.991628 0.000000\n0.000000 -0.000000 7.049401\nSn P Pd\n1 1 5\ndirect\n0.500000 0.500000 0.000000 Sn\n0.000000 0.000000 0.500000 P\n0.000000 0.500000 0.298646 Pd\n0.000000 0.500000 0.701354 Pd\n0.500000 0.000000 0.298646 Pd\n0.500000 0.000000 0.701354 Pd\n0.000000 0.000000 0.000000 Pd\n",
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{
"id": "jvasp-15194",
"created_at": "2022-09-04T14:35:54.537337Z",
"updated_at": "2022-09-04T14:35:54.537364Z",
"structure_string": "Sr1 P2 Pd2\n1.0\n3.979022 -0.000000 -1.591382\n-0.636462 3.927790 -1.591382\n0.001562 0.001835 5.774083\nSr P Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.614678 0.614679 0.229358 P\n0.385321 0.385322 0.770642 P\n0.250000 0.750001 0.500000 Pd\n0.750000 0.250001 0.500000 Pd\n",
"nsites": 5,
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"elements": [
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],
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"density": 6.666944551782819,
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"volume": 90.26501524912949,
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"spacegroup": 139
},
{
"id": "jvasp-102628",
"created_at": "2022-09-04T14:36:55.006330Z",
"updated_at": "2022-09-04T14:36:55.006348Z",
"structure_string": "Tb1 P2 Pd2\n1.0\n3.837959 -0.011323 -4.283888\n-0.569677 3.795462 -4.283888\n0.009779 0.011323 5.751655\nTb P Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.388858 0.388858 -0.000000 P\n0.611142 0.611142 -0.000001 P\n0.750000 0.250000 0.499999 Pd\n0.249999 0.749999 0.499998 Pd\n",
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"volume": 84.11953889727415,
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"formula_anonymous": "AB2C2",
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}
]
}