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{
"id": "jvasp-9088",
"created_at": "2022-09-04T14:37:03.865856Z",
"updated_at": "2022-09-04T14:37:03.865880Z",
"structure_string": "Ga4 Se6\n1.0\n5.850913 0.040660 3.344814\n1.853242 6.378181 1.059450\n0.001128 0.020330 6.787785\nGa Se\n4 6\ndirect\n0.722466 0.504495 0.494593 Ga\n0.217060 0.004495 0.505407 Ga\n0.415090 0.500747 0.170093 Ga\n0.585183 0.000747 0.829907 Ga\n0.251930 0.888409 0.157434 Se\n0.409365 0.388409 0.842566 Se\n0.789069 0.360808 0.162317 Se\n0.951386 0.860808 0.837683 Se\n0.097450 0.393140 0.523150 Se\n0.620600 0.893140 0.476851 Se\n",
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{
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"structure_string": "Hf2 Cu1\n1.0\n3.055024 0.000000 -0.836487\n-0.229036 3.046426 -0.836487\n-0.003000 -0.003235 5.986072\nHf Cu\n2 1\ndirect\n0.343364 0.343364 0.686729 Hf\n0.656634 0.656636 0.313269 Hf\n0.000000 0.000000 0.000000 Cu\n",
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{
"id": "jvasp-18769",
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"structure_string": "Pu2 Os4\n1.0\n4.580893 0.000000 2.644780\n1.526965 4.318908 2.644780\n0.000000 0.000000 5.289560\nPu Os\n2 4\ndirect\n0.874998 0.875000 0.875000 Pu\n0.125000 0.125000 0.125000 Pu\n0.499999 0.500000 0.500000 Os\n0.499999 0.500000 0.000000 Os\n-0.000001 0.500000 0.500000 Os\n0.500000 -0.000000 0.500000 Os\n",
"nsites": 6,
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"volume": 104.65106403703783,
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{
"id": "jvasp-78477",
"created_at": "2022-09-04T14:37:02.202135Z",
"updated_at": "2022-09-04T14:37:02.202153Z",
"structure_string": "Cr1 Se2\n1.0\n2.821204 1.629057 -0.046753\n2.821204 -1.629057 -0.046753\n-0.101397 0.000000 -6.318617\nCr Se\n1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.666806 0.666806 0.752910 Se\n0.333192 0.333192 0.247090 Se\n",
"nsites": 3,
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"elements": [
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"density": 6.000073473775455,
"density_atomic": 0.05163961274324102,
"volume": 58.09493605067096,
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"formula_full": "Cr1 Se2",
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{
"id": "jvasp-8160",
"created_at": "2022-09-04T14:36:44.368218Z",
"updated_at": "2022-09-04T14:36:44.368243Z",
"structure_string": "U1 O3\n1.0\n1.900329 -3.291465 -0.000000\n1.900329 3.291465 0.000000\n-0.000000 0.000000 4.150577\nU O\n1 3\ndirect\n0.000000 0.000000 0.000000 U\n0.333333 0.666668 0.116279 O\n0.000000 0.000000 0.500000 O\n0.666668 0.333333 0.883722 O\n",
"nsites": 4,
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"elements": [
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"density": 9.14744458840864,
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},
{
"id": "jvasp-104600",
"created_at": "2022-09-04T14:36:55.716435Z",
"updated_at": "2022-09-04T14:36:55.716455Z",
"structure_string": "Na3 Cd1\n1.0\n4.730166 0.000000 2.730962\n1.576722 4.459643 2.730962\n-0.000000 -0.000000 5.461925\nNa Cd\n3 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.750001 0.750000 0.749999 Na\n0.500000 0.500000 0.499999 Na\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
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"density": 2.6140688585295107,
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{
"id": "jvasp-102542",
"created_at": "2022-09-04T14:36:41.626360Z",
"updated_at": "2022-09-04T14:36:41.626375Z",
"structure_string": "Pd2 Au6\n1.0\n5.769502 0.000000 0.000000\n-2.884751 4.996535 0.000000\n0.000000 -0.000000 4.796500\nPd Au\n2 6\ndirect\n0.666667 0.333334 0.250000 Pd\n0.333334 0.666667 0.750000 Pd\n0.832041 0.167959 0.750000 Au\n0.335916 0.167959 0.750000 Au\n0.832042 0.664085 0.750000 Au\n0.167959 0.832042 0.250000 Au\n0.664085 0.832042 0.250000 Au\n0.167959 0.335916 0.250000 Au\n",
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{
"id": "jvasp-50026",
"created_at": "2022-09-04T14:37:02.136210Z",
"updated_at": "2022-09-04T14:37:02.136224Z",
"structure_string": "Al8 O12\n1.0\n0.000000 3.187565 -0.020460\n12.127537 0.000000 0.000000\n0.000000 -1.444322 -5.055851\nAl O\n8 12\ndirect\n0.580900 0.166030 0.158352 Al\n0.819928 0.433218 0.179000 Al\n0.180073 0.933218 0.321000 Al\n0.419102 0.666030 0.341648 Al\n0.580900 0.333970 0.658351 Al\n0.819929 0.066782 0.679000 Al\n0.180074 0.566782 0.820999 Al\n0.419102 0.833970 0.841648 Al\n0.327123 -0.007790 0.690151 O\n0.672879 0.492210 0.809848 O\n0.018803 0.373663 0.506591 O\n0.596545 0.194292 0.505610 O\n0.403457 0.805708 0.494390 O\n0.596545 0.305708 0.005610 O\n0.327123 0.507790 0.190151 O\n0.672879 0.007790 0.309848 O\n0.403457 0.694293 0.994389 O\n0.018802 0.126337 0.006591 O\n0.981199 0.626337 0.493408 O\n0.981200 0.873663 0.993408 O\n",
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"elements": [
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"density": 3.4587790260896774,
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"volume": 195.80399070760646,
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"formula_full": "Al8 O12",
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"spacegroup": 14
},
{
"id": "jvasp-103290",
"created_at": "2022-09-04T14:36:42.075004Z",
"updated_at": "2022-09-04T14:36:42.075024Z",
"structure_string": "Pd3 I1\n1.0\n3.863786 -0.067481 -2.983198\n-0.972769 3.739936 -2.983198\n0.053122 0.067481 4.881137\nPd I\n3 1\ndirect\n0.750000 0.250000 0.500000 Pd\n0.250000 0.750001 0.500000 Pd\n0.500000 0.500001 0.000000 Pd\n0.000000 0.000000 0.000000 I\n",
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"volume": 71.79055718757509,
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"formula_full": "Pd3 I1",
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{
"id": "jvasp-15693",
"created_at": "2022-09-04T14:36:55.726212Z",
"updated_at": "2022-09-04T14:36:55.726226Z",
"structure_string": "Mn4 Sb2\n1.0\n2.252318 -3.901130 -0.000000\n2.252318 3.901130 0.000000\n0.000000 -0.000000 5.443677\nMn Sb\n4 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.333333 0.666667 0.250000 Mn\n0.666667 0.333333 0.750000 Mn\n0.333333 0.666667 0.750000 Sb\n0.666667 0.333333 0.250000 Sb\n",
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{
"id": "jvasp-106699",
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"structure_string": "V1 Pd3\n1.0\n2.731033 0.002566 8.647732\n1.335204 2.382389 8.647732\n0.004375 0.002566 9.068726\nV Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 V\n0.254772 0.254773 0.254772 Pd\n0.499999 0.500002 0.499999 Pd\n0.745226 0.745231 0.745227 Pd\n",
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{
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"created_at": "2022-09-04T14:36:56.870406Z",
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"structure_string": "Pt1 O2\n1.0\n1.581205 -2.738728 0.000000\n1.581205 2.738728 -0.000000\n0.000000 0.000000 4.111704\nPt O\n1 2\ndirect\n0.000000 0.000000 0.000000 Pt\n0.666666 0.333331 0.772398 O\n0.333331 0.666666 0.227601 O\n",
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