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{
"id": "jvasp-93771",
"created_at": "2022-09-04T14:35:48.542825Z",
"updated_at": "2022-09-04T14:35:48.542858Z",
"structure_string": "Dy2 Al2 Ge2\n1.0\n4.064808 0.000000 0.000000\n-2.032404 5.226588 0.000000\n0.000000 -0.000000 5.764065\nDy Al Ge\n2 2 2\ndirect\n0.312137 0.624271 0.250000 Dy\n0.687866 0.375729 0.750001 Dy\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.609135 0.218267 0.250000 Ge\n0.390867 0.781733 0.750001 Ge\n",
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{
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"structure_string": "Be1 Hg2 Ru1\n1.0\n-1.980066 1.980066 4.248846\n1.980066 -1.980066 4.248846\n1.980066 1.980066 -4.248846\nBe Hg Ru\n1 2 1\ndirect\n0.750001 0.250000 0.500001 Be\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.000000 Hg\n0.250000 0.750001 0.500001 Ru\n",
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{
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"structure_string": "Li2 Sn1 Pt1\n1.0\n3.891178 -0.000000 2.246573\n1.297059 3.668638 2.246573\n-0.000000 -0.000000 4.493146\nLi Sn Pt\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Sn\n0.750000 0.750000 0.749999 Pt\n",
"nsites": 4,
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"elements": [
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"density": 8.483151871874536,
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"formula_full": "Li2 Sn1 Pt1",
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"spacegroup": 216
},
{
"id": "jvasp-60638",
"created_at": "2022-09-04T14:35:44.930489Z",
"updated_at": "2022-09-04T14:35:44.930520Z",
"structure_string": "U2 Br8\n1.0\n7.011504 0.039011 0.437630\n0.352764 6.875629 1.578618\n0.048863 -0.029646 7.063107\nU Br\n2 8\ndirect\n0.438144 0.802453 0.802454 U\n0.561854 0.197547 0.197547 U\n0.333294 0.559073 0.174661 Br\n0.666705 0.825339 0.440927 Br\n0.756576 0.942151 0.942152 Br\n0.243422 0.057849 0.057849 Br\n0.855790 0.333432 0.333432 Br\n0.144208 0.666568 0.666569 Br\n0.333294 0.174661 0.559074 Br\n0.666705 0.440926 0.825340 Br\n",
"nsites": 10,
"nelements": 2,
"elements": [
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"chemical_system": "Br-U",
"density": 5.43766464735267,
"density_atomic": 0.029361320560919304,
"volume": 340.58413616825754,
"volume_molar": 20.51045608628254,
"formula_full": "U2 Br8",
"formula_reduced": "UBr4",
"formula_anonymous": "AB4",
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"spacegroup": 12
},
{
"id": "jvasp-12080",
"created_at": "2022-09-04T14:37:29.200587Z",
"updated_at": "2022-09-04T14:37:29.200606Z",
"structure_string": "U2 Br8\n1.0\n7.011114 0.038819 0.437366\n0.352482 6.875575 1.578836\n0.048595 -0.029407 7.063092\nU Br\n2 8\ndirect\n0.438146 0.802447 0.802448 U\n0.561853 0.197552 0.197553 U\n0.333208 0.559051 0.174619 Br\n0.666791 0.825381 0.440950 Br\n0.756602 0.942147 0.942148 Br\n0.243397 0.057852 0.057853 Br\n0.855718 0.333515 0.333516 Br\n0.144281 0.666484 0.666485 Br\n0.333208 0.174618 0.559051 Br\n0.666791 0.440948 0.825382 Br\n",
"nsites": 10,
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"elements": [
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"density": 5.438039727873502,
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"volume": 340.56064489537727,
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"formula_full": "U2 Br8",
"formula_reduced": "UBr4",
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"spacegroup": 12
},
{
"id": "jvasp-35736",
"created_at": "2022-09-04T14:37:18.073603Z",
"updated_at": "2022-09-04T14:37:18.073628Z",
"structure_string": "Ce2 Pd2\n1.0\n-3.821593 0.000000 0.000000\n-0.000000 -0.000000 -4.489249\n-1.910797 -5.512860 -0.000000\nCe Pd\n2 2\ndirect\n0.136521 0.750000 0.726959 Ce\n0.863479 0.250000 0.273041 Ce\n0.408147 0.750000 0.183707 Pd\n0.591853 0.250000 0.816293 Pd\n",
"nsites": 4,
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"elements": [
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"formula_full": "Ce2 Pd2",
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},
{
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"created_at": "2022-09-04T14:37:40.441485Z",
"updated_at": "2022-09-04T14:37:40.441504Z",
"structure_string": "Sr1 Li1 Al1 Sb2\n1.0\n4.575491 -0.000000 0.000000\n-2.287745 3.962491 0.000000\n-0.000000 -0.000000 7.811211\nSr Li Al Sb\n1 1 1 2\ndirect\n0.333332 0.666666 0.026155 Sr\n0.666666 0.333333 0.365251 Li\n0.000000 0.000000 0.603229 Al\n0.000000 0.000000 0.266248 Sb\n0.666666 0.333333 0.739116 Sb\n",
"nsites": 5,
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"elements": [
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"volume": 141.6199261461633,
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"formula_full": "Sr1 Li1 Al1 Sb2",
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"formula_anonymous": "ABCD2",
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"spacegroup": 156
},
{
"id": "jvasp-75041",
"created_at": "2022-09-04T14:35:46.910922Z",
"updated_at": "2022-09-04T14:35:46.910938Z",
"structure_string": "Na2 Be1 P1\n1.0\n5.050776 0.000000 0.000000\n-0.000000 5.050776 0.000000\n-0.000000 0.000000 2.925039\nNa Be P\n2 1 1\ndirect\n0.500000 0.000000 0.000000 Na\n0.000000 0.500000 0.000000 Na\n0.500000 0.500000 0.500000 Be\n0.000000 0.000000 0.500000 P\n",
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"volume": 74.61873414455468,
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"formula_full": "Na2 Be1 P1",
"formula_reduced": "Na2BeP",
"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-78402",
"created_at": "2022-09-04T14:37:08.811953Z",
"updated_at": "2022-09-04T14:37:08.811973Z",
"structure_string": "Rb1 P1\n1.0\n0.000000 -4.898355 0.000000\n3.629643 -2.449177 -2.200911\n3.285800 -2.449177 2.692831\nRb P\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500001 0.500000 0.500000 P\n",
"nsites": 2,
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},
{
"id": "jvasp-78455",
"created_at": "2022-09-04T14:37:15.742366Z",
"updated_at": "2022-09-04T14:37:15.742389Z",
"structure_string": "Rb1 P1\n1.0\n2.723305 2.449687 3.242274\n2.723305 -2.449687 3.242274\n4.885963 0.000000 -0.425251\nRb P\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.499999 0.499999 0.500001 P\n",
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},
{
"id": "jvasp-56458",
"created_at": "2022-09-04T14:37:39.321331Z",
"updated_at": "2022-09-04T14:37:39.321347Z",
"structure_string": "Ba4 Ga2 Ge2 N2\n1.0\n0.000000 7.286317 0.004337\n4.224644 0.000000 0.000000\n0.000000 -3.032424 -8.872536\nBa Ga Ge N\n4 2 2 2\ndirect\n0.809661 0.749999 0.617906 Ba\n0.794539 0.749999 0.037725 Ba\n0.190340 0.250000 0.382094 Ba\n0.205462 0.250000 0.962276 Ba\n0.538146 0.250000 0.753935 Ga\n0.461855 0.749999 0.246065 Ga\n0.663818 0.250000 0.298639 Ge\n0.336182 0.749999 0.701362 Ge\n0.815195 0.250000 0.828312 N\n0.184806 0.749999 0.171688 N\n",
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{
"id": "jvasp-68606",
"created_at": "2022-09-04T14:36:05.718932Z",
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"structure_string": "Be1 Ge1 Pb2\n1.0\n-2.150960 2.150960 5.187327\n2.150960 -2.150960 5.187327\n2.150960 2.150960 -5.187327\nBe Ge Pb\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Be\n0.750000 0.250000 0.500000 Ge\n0.000000 0.000000 0.000000 Pb\n0.250000 0.750000 0.500000 Pb\n",
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