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{
"id": "jvasp-116461",
"created_at": "2022-09-04T14:38:47.308771Z",
"updated_at": "2022-09-04T14:38:47.308800Z",
"structure_string": "Zn3 Mo3 O8\n1.0\n5.374950 0.389120 3.496471\n2.026257 4.993575 3.496471\n0.478746 0.348179 6.405271\nZn Mo O\n3 3 8\ndirect\n0.000000 0.000000 0.000000 Zn\n0.366137 0.366137 0.366121 Zn\n0.633864 0.633863 0.633878 Zn\n0.000000 0.000000 0.500000 Mo\n0.500000 -0.000000 -0.000000 Mo\n0.000000 0.500000 -0.000000 Mo\n0.248417 0.248416 0.248755 O\n0.754463 0.754462 0.228973 O\n0.227811 0.755371 0.756426 O\n0.755372 0.227810 0.756426 O\n0.751585 0.751583 0.751244 O\n0.245538 0.245538 0.771026 O\n0.772190 0.244628 0.243573 O\n0.244629 0.772189 0.243573 O\n",
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{
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"structure_string": "Si2 Cl2\n1.0\n3.511228 0.000000 -0.000000\n0.000000 3.511228 -0.000000\n-0.000000 -0.000000 7.426096\nSi Cl\n2 2\ndirect\n0.000000 0.000000 0.540950 Si\n0.500000 0.500000 0.459051 Si\n0.000000 0.000000 0.821169 Cl\n0.500000 0.500000 0.178832 Cl\n",
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{
"id": "jvasp-115641",
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"updated_at": "2022-09-04T14:38:47.307280Z",
"structure_string": "Hf1 Be1 P1\n1.0\n4.981610 -0.801055 0.000000\n-0.720491 3.503236 0.000000\n0.000000 0.000000 3.029928\nHf Be P\n1 1 1\ndirect\n0.430333 0.083926 0.000000 Hf\n-0.181742 -0.222111 0.000000 Be\n0.023436 0.380475 0.000000 P\n",
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{
"id": "jvasp-102692",
"created_at": "2022-09-04T14:38:47.305284Z",
"updated_at": "2022-09-04T14:38:47.305291Z",
"structure_string": "Ni6 Sn1 Te2\n1.0\n3.718005 -0.016313 -9.265523\n-0.153841 3.714856 -9.265523\n0.015720 0.016313 9.983648\nNi Sn Te\n6 1 2\ndirect\n0.501245 0.501246 0.000001 Ni\n0.906590 0.406591 0.500000 Ni\n0.406590 0.906591 0.500001 Ni\n0.095065 0.595065 0.500000 Ni\n0.595064 0.095065 0.500000 Ni\n0.809981 0.809983 0.000001 Ni\n0.000422 0.000422 0.000000 Sn\n0.315492 0.315493 0.000000 Te\n0.679148 0.679150 0.000001 Te\n",
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"density": 8.67410275244856,
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"formula_full": "Ni6 Sn1 Te2",
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"formula_anonymous": "AB2C6",
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"spacegroup": 107
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{
"id": "jvasp-115596",
"created_at": "2022-09-04T14:38:47.303652Z",
"updated_at": "2022-09-04T14:38:47.303671Z",
"structure_string": "Ba2 O1\n1.0\n7.168259 -0.556272 -0.292917\n-0.483510 -7.200827 2.111278\n0.111950 2.988247 -3.137099\nBa O\n2 1\ndirect\n0.188124 0.593095 -0.002491 Ba\n0.735965 0.929051 0.003115 Ba\n0.081220 0.927669 -0.000021 O\n",
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{
"id": "jvasp-115595",
"created_at": "2022-09-04T14:38:47.303125Z",
"updated_at": "2022-09-04T14:38:47.303152Z",
"structure_string": "Ba1 O1\n1.0\n4.328189 0.000000 -0.000000\n-2.164095 3.748322 0.000000\n-0.000000 -0.000000 4.694542\nBa O\n1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333334 0.666666 0.000000 O\n",
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{
"id": "jvasp-105020",
"created_at": "2022-09-04T14:38:47.301912Z",
"updated_at": "2022-09-04T14:38:47.301932Z",
"structure_string": "K2 Sb1 Au1 I6\n1.0\n7.275187 -0.000000 4.200331\n2.425062 6.859112 4.200331\n-0.000000 -0.000000 8.400662\nK Sb Au I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Au\n0.746107 0.253893 0.253893 I\n0.253893 0.253893 0.746107 I\n0.253893 0.746107 0.746107 I\n0.253893 0.746107 0.253893 I\n0.746107 0.253893 0.746106 I\n0.746107 0.746107 0.253893 I\n",
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"volume": 419.20414328859414,
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"formula_full": "K2 Sb1 Au1 I6",
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"spacegroup": 225
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{
"id": "jvasp-117763",
"created_at": "2022-09-04T14:38:47.295149Z",
"updated_at": "2022-09-04T14:38:47.295159Z",
"structure_string": "Rb1 Ca1 Br3\n1.0\n5.647646 0.000000 0.000700\n0.000000 5.647659 0.000000\n-0.000479 0.000000 5.647591\nRb Ca Br\n1 1 3\ndirect\n0.000182 0.500000 0.010860 Rb\n0.499986 0.000000 0.512050 Ca\n0.999976 0.000000 0.512473 Br\n0.499917 0.000000 0.012147 Br\n0.499939 0.500000 0.512470 Br\n",
"nsites": 5,
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"density": 3.3670488783319383,
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"volume": 180.1354444788596,
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"formula_full": "Rb1 Ca1 Br3",
"formula_reduced": "RbCaBr3",
"formula_anonymous": "ABC3",
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"spacegroup": 221
},
{
"id": "jvasp-118751",
"created_at": "2022-09-04T14:38:47.290352Z",
"updated_at": "2022-09-04T14:38:47.290371Z",
"structure_string": "Mo2 Br2\n1.0\n4.595087 -0.390095 0.096238\n-1.709396 -3.138946 0.012800\n-0.443052 3.233339 -7.222891\nMo Br\n2 2\ndirect\n0.877457 -0.037729 0.844405 Mo\n0.533235 0.284844 0.844240 Mo\n0.051760 0.815824 0.537695 Br\n0.358949 0.431350 0.150960 Br\n",
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"spacegroup": 12
},
{
"id": "jvasp-118945",
"created_at": "2022-09-04T14:38:47.289358Z",
"updated_at": "2022-09-04T14:38:47.289380Z",
"structure_string": "Rb1 Te1 Au1\n1.0\n3.400341 0.000000 -0.000000\n0.000000 3.400341 0.000000\n0.000000 -0.000000 9.188798\nRb Te Au\n1 1 1\ndirect\n0.000000 0.000000 0.635075 Rb\n0.000000 0.000000 0.000842 Te\n0.000000 0.000000 0.298692 Au\n",
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{
"id": "jvasp-118749",
"created_at": "2022-09-04T14:38:47.285890Z",
"updated_at": "2022-09-04T14:38:47.285918Z",
"structure_string": "Mo1 Br2\n1.0\n4.906902 -0.386595 -0.037976\n4.243017 -5.217706 -0.663394\n-1.159050 -0.550283 -3.001883\nMo Br\n1 2\ndirect\n0.083711 0.858568 0.035542 Mo\n0.752181 0.280115 0.370851 Br\n0.752273 0.768870 0.368655 Br\n",
"nsites": 3,
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{
"id": "jvasp-117048",
"created_at": "2022-09-04T14:38:47.278946Z",
"updated_at": "2022-09-04T14:38:47.278963Z",
"structure_string": "Li6 Mn3 N6\n1.0\n6.352746 -0.004965 0.331126\n10.650784 4.673099 -0.000000\n0.008414 -0.019178 4.934984\nLi Mn N\n6 3 6\ndirect\n0.706855 0.961816 0.814702 Li\n0.706856 0.331327 0.814702 Li\n0.293146 0.038182 0.185298 Li\n0.293145 0.668672 0.185298 Li\n0.183016 0.908492 0.717048 Li\n0.816985 0.091507 0.282952 Li\n-0.000001 0.500000 0.000000 Mn\n-0.000000 0.404177 0.500000 Mn\n-0.000001 0.595823 0.500000 Mn\n0.597659 0.844944 0.793060 N\n0.597660 0.557394 0.793060 N\n0.402342 0.155055 0.206940 N\n0.402342 0.442605 0.206940 N\n0.534163 0.732918 0.336712 N\n0.465838 0.267081 0.663288 N\n",
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