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{
"id": "jvasp-14049",
"created_at": "2022-09-04T14:37:47.238694Z",
"updated_at": "2022-09-04T14:37:47.238713Z",
"structure_string": "K4 Au4 Br16\n1.0\n0.000000 9.008377 0.088589\n6.634136 0.000000 0.000000\n0.000000 -1.778084 -12.749241\nK Au Br\n4 4 16\ndirect\n0.203796 0.557674 0.181318 K\n0.203796 0.942327 0.681318 K\n0.796205 0.442326 0.818682 K\n0.796205 0.057674 0.318682 K\n0.500000 0.500000 0.500000 Au\n0.500000 0.000000 -0.000000 Au\n0.000000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.493955 0.340413 0.325796 Br\n0.506045 0.840413 0.174204 Br\n0.096561 0.442578 0.688232 Br\n0.903440 0.942579 0.811768 Br\n0.903440 0.557422 0.311768 Br\n0.096561 0.057422 0.188232 Br\n0.856870 0.798191 0.544656 Br\n0.333768 0.726418 0.921343 Br\n0.143131 0.201810 0.455344 Br\n0.856870 0.701810 0.044656 Br\n0.493955 0.159587 0.825796 Br\n0.333768 0.773583 0.421343 Br\n0.666232 0.273583 0.078657 Br\n0.666232 0.226417 0.578657 Br\n0.143131 0.298191 0.955344 Br\n0.506046 0.659588 0.674204 Br\n",
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{
"id": "jvasp-108581",
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"updated_at": "2022-09-04T14:38:27.806329Z",
"structure_string": "Na3 Au1 Br6\n1.0\n6.628303 -0.000000 3.826852\n2.209434 6.249224 3.826852\n-0.000000 -0.000000 7.653705\nNa Au Br\n3 1 6\ndirect\n0.749999 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Au\n0.756469 0.243531 0.243531 Br\n0.243531 0.243531 0.756469 Br\n0.243531 0.756469 0.756469 Br\n0.243531 0.756469 0.243531 Br\n0.756469 0.243531 0.756469 Br\n0.756468 0.756469 0.243531 Br\n",
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"formula_full": "Na3 Au1 Br6",
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{
"id": "jvasp-25403",
"created_at": "2022-09-04T14:38:29.864340Z",
"updated_at": "2022-09-04T14:38:29.864362Z",
"structure_string": "C4\n1.0\n-2.464538 0.000020 -0.000564\n1.232251 2.134363 0.000564\n-0.005601 -0.003233 -24.106139\nC\n4\ndirect\n0.000337 0.999662 0.515656 C\n0.999664 0.000338 0.655289 C\n0.666329 0.333672 0.655310 C\n0.333672 0.666329 0.515635 C\n",
"nsites": 4,
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"volume": 126.80414872457497,
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"spacegroup": 164
},
{
"id": "jvasp-17691",
"created_at": "2022-09-04T14:38:29.426781Z",
"updated_at": "2022-09-04T14:38:29.426798Z",
"structure_string": "Dy1 Th1\n1.0\n3.987455 -0.000000 -0.000000\n-0.000000 3.987455 -0.000000\n0.000000 -0.000000 3.987455\nDy Th\n1 1\ndirect\n0.000000 0.000000 0.000000 Dy\n0.499999 0.499999 0.499999 Th\n",
"nsites": 2,
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"density": 10.333575514301973,
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"volume": 63.39972655000523,
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"spacegroup": 221
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{
"id": "jvasp-79519",
"created_at": "2022-09-04T14:37:11.604019Z",
"updated_at": "2022-09-04T14:37:11.604029Z",
"structure_string": "Ba2 Pd2\n1.0\n-1.117281 0.000000 -5.453570\n-2.512037 -4.441096 0.514752\n-2.512037 4.441096 0.514752\nBa Pd\n2 2\ndirect\n0.250000 0.333338 0.666663 Ba\n0.750000 0.666663 0.333338 Ba\n0.500000 -0.000000 -0.000000 Pd\n0.000000 0.000000 0.000000 Pd\n",
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{
"id": "jvasp-30499",
"created_at": "2022-09-04T14:38:00.161240Z",
"updated_at": "2022-09-04T14:38:00.161248Z",
"structure_string": "C4\n1.0\n-2.464580 -0.000017 -0.000540\n1.232304 2.134381 0.000540\n-0.005365 -0.003097 -24.101890\nC\n4\ndirect\n0.000342 0.999659 0.515670 C\n0.999661 0.000337 0.655276 C\n0.666328 0.333671 0.655296 C\n0.333674 0.666326 0.515648 C\n",
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{
"id": "jvasp-93254",
"created_at": "2022-09-04T14:36:31.481753Z",
"updated_at": "2022-09-04T14:36:31.481780Z",
"structure_string": "Ca3 As2\n1.0\n5.411278 0.000000 0.000000\n0.000000 5.411278 0.000000\n-0.000000 0.000000 5.411278\nCa As\n3 2\ndirect\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.500000 As\n",
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},
{
"id": "jvasp-101118",
"created_at": "2022-09-04T14:36:40.814920Z",
"updated_at": "2022-09-04T14:36:40.814931Z",
"structure_string": "Sn1 Bi1\n1.0\n4.650643 -0.000252 -0.578137\n-3.629229 2.908123 -0.578137\n0.000089 0.000252 4.686440\nSn Bi\n1 1\ndirect\n0.000000 0.000000 0.000000 Sn\n0.750000 0.250000 0.499999 Bi\n",
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"elements": [
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],
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"density": 8.585469669480506,
"density_atomic": 0.03155594845512087,
"volume": 63.3794925493815,
"volume_molar": 19.084011271487334,
"formula_full": "Sn1 Bi1",
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"spacegroup": 119
},
{
"id": "jvasp-35401",
"created_at": "2022-09-04T14:37:30.685268Z",
"updated_at": "2022-09-04T14:37:30.685282Z",
"structure_string": "Rb2 Pd1 Cl4\n1.0\n7.179436 -0.000000 0.000000\n-0.000000 7.179436 0.000000\n-0.000000 -0.000000 4.303518\nRb Pd Cl\n2 1 4\ndirect\n0.500000 0.000000 0.500000 Rb\n0.000000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Pd\n0.230124 0.230124 0.000000 Cl\n0.769876 0.769876 0.000000 Cl\n0.230124 0.769876 0.000000 Cl\n0.769876 0.230124 0.000000 Cl\n",
"nsites": 7,
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],
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"volume": 221.82182834770916,
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"formula_full": "Rb2 Pd1 Cl4",
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},
{
"id": "jvasp-80622",
"created_at": "2022-09-04T14:37:15.529173Z",
"updated_at": "2022-09-04T14:37:15.529211Z",
"structure_string": "Ca2 Zn1 Ge1\n1.0\n-10.266222 -0.000000 -5.927206\n-6.728371 -1.463225 -0.200533\n-4.975093 3.495791 -3.237297\nCa Zn Ge\n2 1 1\ndirect\n0.749883 -0.000001 -0.000000 Ca\n0.250117 -0.000000 -0.000000 Ca\n0.000000 0.000000 0.000000 Zn\n0.500000 -0.000001 -0.000000 Ge\n",
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},
{
"id": "jvasp-108774",
"created_at": "2022-09-04T14:38:20.052200Z",
"updated_at": "2022-09-04T14:38:20.052226Z",
"structure_string": "K2 Pd1 Br3 Cl1\n1.0\n7.281064 -0.206641 0.000000\n-0.240116 7.280037 0.000000\n-0.000000 -0.000000 4.188056\nK Pd Br Cl\n2 1 3 1\ndirect\n0.510028 0.012489 0.500001 K\n0.987511 0.489972 0.500001 K\n0.998407 0.001593 -0.000000 Pd\n0.230182 0.769818 -0.000000 Br\n0.247838 0.249992 -0.000000 Br\n0.750007 0.752162 -0.000000 Br\n0.776024 0.223975 -0.000000 Cl\n",
"nsites": 7,
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"formula_full": "K2 Pd1 Br3 Cl1",
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},
{
"id": "jvasp-5575",
"created_at": "2022-09-04T14:38:16.755652Z",
"updated_at": "2022-09-04T14:38:16.755678Z",
"structure_string": "Nb8 Te24 I4\n1.0\n0.000000 9.313847 -0.039329\n13.559543 0.000000 0.000000\n0.000000 -3.753654 -9.015653\nNb Te I\n8 24 4\ndirect\n0.824685 0.992967 0.870585 Nb\n0.175316 0.492967 0.629415 Nb\n0.175315 0.007033 0.129415 Nb\n0.824685 0.507033 0.370585 Nb\n0.475790 0.974977 0.631803 Nb\n0.524211 0.474977 0.868196 Nb\n0.524211 0.025023 0.368197 Nb\n0.475790 0.525023 0.131803 Nb\n0.085116 0.090389 0.838488 Te\n0.914885 0.590388 0.661511 Te\n0.545135 0.068652 0.911300 Te\n0.454866 0.568652 0.588700 Te\n0.454865 0.931348 0.088700 Te\n0.348663 0.855752 0.359023 Te\n0.651338 0.144248 0.640977 Te\n0.348663 0.644248 0.859023 Te\n0.085116 0.409611 0.338488 Te\n0.651338 0.355752 0.140977 Te\n0.545135 0.431348 0.411300 Te\n0.914884 0.909611 0.161512 Te\n0.955823 0.332445 0.532779 Te\n0.955823 0.167555 0.032779 Te\n0.044178 0.832445 0.967220 Te\n0.623403 0.692741 0.274312 Te\n0.376597 0.192741 0.225688 Te\n0.376597 0.307259 0.725688 Te\n0.623403 0.807259 0.774311 Te\n0.758916 0.601962 0.088589 Te\n0.241084 0.101962 0.411411 Te\n0.241084 0.398038 0.911411 Te\n0.758916 0.898038 0.588589 Te\n0.044178 0.667555 0.467220 Te\n0.812977 0.084240 0.345656 I\n0.187024 0.915759 0.654344 I\n0.812977 0.415759 0.845656 I\n0.187024 0.584240 0.154344 I\n",
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}