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{
"id": "jvasp-17452",
"created_at": "2022-09-04T14:38:15.001897Z",
"updated_at": "2022-09-04T14:38:15.001922Z",
"structure_string": "Zr2 Te2 P1\n1.0\n3.790569 0.006542 9.397978\n1.829219 3.320002 9.397978\n0.011053 0.006542 10.133620\nZr Te P\n2 2 1\ndirect\n0.617933 0.617932 0.617934 Zr\n0.382067 0.382066 0.382068 Zr\n0.220717 0.220717 0.220718 Te\n0.779283 0.779281 0.779284 Te\n0.000000 0.000000 0.000000 P\n",
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{
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"structure_string": "Ba1 Ti4 Br1\n1.0\n0.000000 4.239039 4.239039\n4.239039 -0.000000 4.239039\n4.239039 4.239039 0.000000\nBa Ti Br\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.169384 0.610205 0.610205 Ti\n0.610205 0.610205 0.610205 Ti\n0.610205 0.169384 0.610205 Ti\n0.610205 0.610205 0.169384 Ti\n0.000000 0.000000 0.000000 Br\n",
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{
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"structure_string": "Y2 Mg4\n1.0\n5.191783 -0.000000 2.997477\n1.730594 4.894860 2.997477\n-0.000000 -0.000000 5.994954\nY Mg\n2 4\ndirect\n0.250000 0.250000 0.250000 Y\n0.000000 0.000000 0.000000 Y\n0.625000 0.125000 0.625000 Mg\n0.624999 0.625000 0.625001 Mg\n0.124999 0.625000 0.625000 Mg\n0.624999 0.625000 0.125001 Mg\n",
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{
"id": "jvasp-117533",
"created_at": "2022-09-04T14:38:51.679469Z",
"updated_at": "2022-09-04T14:38:51.679493Z",
"structure_string": "Ba1 Br1 Cl4\n1.0\n-0.000000 4.239177 4.239177\n4.239177 0.000000 4.239177\n4.239177 4.239177 -0.000000\nBa Br Cl\n1 1 4\ndirect\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Br\n0.375206 0.375206 0.874385 Cl\n0.375206 0.874385 0.375206 Cl\n0.874385 0.375206 0.375206 Cl\n0.375206 0.375206 0.375206 Cl\n",
"nsites": 6,
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"volume": 152.36129184133483,
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"formula_full": "Ba1 Br1 Cl4",
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{
"id": "jvasp-26974",
"created_at": "2022-09-04T14:38:36.113798Z",
"updated_at": "2022-09-04T14:38:36.113809Z",
"structure_string": "Ce2 Ag2 Sb4\n1.0\n4.405139 0.000000 0.000000\n0.000000 4.405139 0.000000\n-0.000000 0.000000 10.468812\nCe Ag Sb\n2 2 4\ndirect\n0.000000 0.500000 0.235717 Ce\n0.500000 0.000000 0.764282 Ce\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.500000 Ag\n0.500000 0.500000 0.000000 Sb\n0.000000 0.000000 0.000000 Sb\n0.000000 0.500000 0.681938 Sb\n0.500000 0.000000 0.318062 Sb\n",
"nsites": 8,
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"formula_full": "Ce2 Ag2 Sb4",
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"spacegroup": 129
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{
"id": "jvasp-74652",
"created_at": "2022-09-04T14:35:49.058736Z",
"updated_at": "2022-09-04T14:35:49.058757Z",
"structure_string": "Be1 Tl1 Sb2\n1.0\n4.719031 -0.000000 0.000000\n0.000000 4.719031 0.000000\n0.000000 0.000000 4.561442\nBe Tl Sb\n1 1 2\ndirect\n0.000000 -0.000000 0.500000 Be\n0.500000 0.500000 0.500000 Tl\n0.000000 0.500000 -0.000000 Sb\n0.500000 0.000000 0.000000 Sb\n",
"nsites": 4,
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{
"id": "jvasp-23767",
"created_at": "2022-09-04T14:37:41.113089Z",
"updated_at": "2022-09-04T14:37:41.113115Z",
"structure_string": "Pr4 Zn4 Sn4\n1.0\n2.292926 -3.971465 -0.000000\n2.292926 3.971465 0.000000\n-0.000000 0.000000 16.732462\nPr Zn Sn\n4 4 4\ndirect\n0.000000 0.000000 0.750000 Pr\n0.000000 0.000000 0.250000 Pr\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.666668 0.333334 0.842798 Zn\n0.666668 0.333334 0.657201 Zn\n0.333334 0.666668 0.157201 Zn\n0.333334 0.666668 0.342799 Zn\n0.666668 0.333334 0.115260 Sn\n0.666668 0.333334 0.384740 Sn\n0.333334 0.666668 0.884740 Sn\n0.333334 0.666668 0.615260 Sn\n",
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"formula_full": "Pr4 Zn4 Sn4",
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"spacegroup": 194
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{
"id": "jvasp-106559",
"created_at": "2022-09-04T14:36:46.956927Z",
"updated_at": "2022-09-04T14:36:46.956937Z",
"structure_string": "Mg1 Hg5\n1.0\n6.157608 -0.000000 0.000000\n-3.078804 5.332645 0.000000\n-0.000000 0.000000 4.640591\nMg Hg\n1 5\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.689348 0.500000 Hg\n0.689348 0.000000 0.500000 Hg\n0.310652 0.310651 0.500000 Hg\n0.666667 0.333333 -0.000000 Hg\n0.333334 0.666666 -0.000000 Hg\n",
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"spacegroup": 189
},
{
"id": "jvasp-112985",
"created_at": "2022-09-04T14:38:45.251639Z",
"updated_at": "2022-09-04T14:38:45.251664Z",
"structure_string": "K8 Mo4 S12 O4\n1.0\n7.018768 -0.000000 0.000000\n0.000000 9.053790 0.000000\n-0.000000 -0.000000 11.190742\nK Mo S O\n8 4 12 4\ndirect\n0.250000 0.450473 0.190738 K\n0.250000 0.950473 0.309262 K\n0.750000 0.549527 0.809262 K\n0.750000 0.049527 0.690738 K\n0.250000 0.157774 0.873583 K\n0.250000 0.657774 0.626417 K\n0.750000 0.842226 0.126417 K\n0.750000 0.342226 0.373583 K\n0.750000 0.260353 0.044558 Mo\n0.750000 0.760353 0.455442 Mo\n0.250000 0.239647 0.544557 Mo\n0.250000 0.739647 0.955442 Mo\n0.497108 0.151270 0.122283 S\n0.502892 0.848730 0.877717 S\n-0.002892 0.348730 0.622283 S\n0.002892 0.151270 0.122283 S\n0.497108 0.651270 0.377717 S\n0.002892 0.651270 0.377717 S\n0.250000 0.504799 0.900713 S\n0.502892 0.348730 0.622283 S\n0.750000 0.495201 0.099286 S\n0.750000 0.995201 0.400714 S\n0.250000 0.004799 0.599286 S\n-0.002892 0.848730 0.877717 S\n0.750000 0.744253 0.611294 O\n0.250000 0.255747 0.388706 O\n0.250000 0.755747 0.111294 O\n0.750000 0.244253 0.888706 O\n",
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{
"id": "jvasp-91229",
"created_at": "2022-09-04T14:35:54.904921Z",
"updated_at": "2022-09-04T14:35:54.904948Z",
"structure_string": "K4 Pd6 Se8\n1.0\n6.230249 0.000000 1.488924\n3.115124 5.505599 0.744461\n0.101975 0.000000 13.352681\nK Pd Se\n4 6 8\ndirect\n0.302080 0.250000 0.395840 K\n0.447919 0.250000 0.104160 K\n0.697918 0.750000 0.604160 K\n0.552079 0.750000 0.895839 K\n0.124999 0.750000 0.750000 Pd\n0.626033 0.250000 0.747931 Pd\n0.123965 0.250000 0.752069 Pd\n0.373965 0.750000 0.252069 Pd\n0.876033 0.750000 0.247931 Pd\n0.875000 0.250000 0.250000 Pd\n0.886564 0.084791 0.879211 Se\n0.765776 0.584791 0.120789 Se\n0.971356 0.915210 0.379211 Se\n0.113434 0.915210 0.120789 Se\n0.234223 0.415210 0.879211 Se\n0.028643 0.084791 0.620789 Se\n0.350566 0.415210 0.620789 Se\n0.649433 0.584791 0.379211 Se\n",
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{
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"updated_at": "2022-09-04T14:37:57.873061Z",
"structure_string": "Sm2 Zn1 Hg1\n1.0\n-0.000003 3.703563 3.703569\n3.703565 0.000001 3.703564\n3.703569 3.703563 -0.000002\nSm Zn Hg\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.499998 0.500000 0.499999 Sm\n0.749999 0.750002 0.750001 Zn\n0.249999 0.250000 0.250000 Hg\n",
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{
"id": "jvasp-16266",
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}