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{
"id": "jvasp-106774",
"created_at": "2022-09-04T14:37:17.553713Z",
"updated_at": "2022-09-04T14:37:17.553730Z",
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{
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{
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"structure_string": "Hg4 C4 N8\n1.0\n5.596945 0.037465 0.000000\n-2.686015 6.370689 0.000000\n0.000000 0.000000 7.065834\nHg C N\n4 4 8\ndirect\n0.007296 0.255700 0.886144 Hg\n0.992706 0.744300 0.113855 Hg\n0.992706 0.244300 0.386145 Hg\n0.007296 0.755700 0.613855 Hg\n0.431429 0.776077 0.361224 C\n0.431429 0.276077 0.138776 C\n0.568573 0.223924 0.638776 C\n0.568573 0.723924 0.861223 C\n0.816598 0.284677 0.638373 N\n0.339812 0.674220 0.863144 N\n0.660190 0.825780 0.363145 N\n0.183404 0.715324 0.361627 N\n0.660190 0.325780 0.136855 N\n0.816599 0.784677 0.861627 N\n0.183404 0.215324 0.138373 N\n0.339812 0.174220 0.636855 N\n",
"nsites": 16,
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"density": 6.325652402640799,
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"volume": 252.65322062780274,
"volume_molar": 9.509457863049773,
"formula_full": "Hg4 C4 N8",
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},
{
"id": "jvasp-80254",
"created_at": "2022-09-04T14:37:17.532738Z",
"updated_at": "2022-09-04T14:37:17.532757Z",
"structure_string": "K2 Rb1 Bi1\n1.0\n-17.048928 -0.000001 -9.843204\n-10.260381 -1.410228 -1.914906\n-8.438315 3.743352 -5.070816\nK Rb Bi\n2 1 1\ndirect\n0.673099 0.000001 0.000000 K\n0.326900 0.000000 0.000000 K\n0.000000 0.000000 0.000000 Rb\n0.500000 0.000001 0.000000 Bi\n",
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"formula_full": "K2 Rb1 Bi1",
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"spacegroup": 71
},
{
"id": "jvasp-81229",
"created_at": "2022-09-04T14:37:10.037752Z",
"updated_at": "2022-09-04T14:37:10.037784Z",
"structure_string": "Hf1 V1 Au2\n1.0\n-7.346197 -2.667774 -8.445706\n-4.515693 -1.914928 -1.695780\n-3.368578 1.332180 -3.711668\nHf V Au\n1 1 2\ndirect\n0.500000 -0.000000 0.000001 Hf\n0.000000 0.000000 0.000000 V\n0.742575 0.015266 0.015242 Au\n0.257425 -0.015266 -0.015240 Au\n",
"nsites": 4,
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"density": 15.695079423267984,
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},
{
"id": "jvasp-81233",
"created_at": "2022-09-04T14:37:10.080926Z",
"updated_at": "2022-09-04T14:37:10.080938Z",
"structure_string": "Mg2 Ga1 Pd1\n1.0\n-12.515417 0.000000 -7.225778\n-7.456823 -0.690015 -1.535961\n-6.332137 2.491078 -3.483975\nMg Ga Pd\n2 1 1\ndirect\n0.682320 0.000000 -0.000000 Mg\n0.317680 0.000000 -0.000000 Mg\n0.000000 0.000000 0.000000 Ga\n0.500000 0.000000 -0.000000 Pd\n",
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{
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"created_at": "2022-09-04T14:37:18.466152Z",
"updated_at": "2022-09-04T14:37:18.466168Z",
"structure_string": "Li2 In1 Pb1\n1.0\n-8.885894 3.071557 -7.638188\n-5.011048 0.259391 -0.774952\n-5.220055 4.714578 -4.533267\nLi In Pb\n2 1 1\ndirect\n0.750396 0.000357 -0.000358 Li\n0.249604 -0.000359 0.000359 Li\n0.000000 0.000000 0.000000 In\n0.500000 -0.000001 0.000000 Pb\n",
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{
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"created_at": "2022-09-04T14:37:17.528512Z",
"updated_at": "2022-09-04T14:37:17.528539Z",
"structure_string": "Nb1 Si1 Tc2\n1.0\n-0.000000 3.097392 3.097392\n3.097392 0.000000 3.097392\n3.097392 3.097392 -0.000000\nNb Si Tc\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Nb\n0.750000 0.750000 0.750000 Si\n0.000000 0.000000 0.000000 Tc\n0.500000 0.500000 0.500000 Tc\n",
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},
{
"id": "jvasp-80175",
"created_at": "2022-09-04T14:37:17.525014Z",
"updated_at": "2022-09-04T14:37:17.525042Z",
"structure_string": "Hf2 Zn1 Os1\n1.0\n-12.170008 0.000000 -7.026357\n-7.284859 -0.417825 -1.434969\n-6.287991 2.401743 -3.161595\nHf Zn Os\n2 1 1\ndirect\n0.680241 -0.000000 -0.000000 Hf\n0.319760 -0.000000 -0.000000 Hf\n0.000000 0.000000 0.000000 Zn\n0.500000 -0.000000 -0.000000 Os\n",
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{
"id": "jvasp-80193",
"created_at": "2022-09-04T14:37:17.508090Z",
"updated_at": "2022-09-04T14:37:17.508103Z",
"structure_string": "Ca2 Mg1 Al1\n1.0\n-16.604613 1.737177 -6.749324\n-10.056560 0.122917 -1.258528\n-8.801888 3.671910 -3.431803\nCa Mg Al\n2 1 1\ndirect\n0.488856 0.174131 0.174132 Ca\n0.511143 0.825869 0.825871 Ca\n0.000000 0.000000 0.000000 Mg\n0.499999 0.000000 0.000001 Al\n",
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{
"id": "jvasp-79945",
"created_at": "2022-09-04T14:37:17.502343Z",
"updated_at": "2022-09-04T14:37:17.502358Z",
"structure_string": "V2 Cr1 Re1\n1.0\n0.000000 2.979839 2.979839\n2.979839 -0.000000 2.979839\n2.979839 2.979839 0.000000\nV Cr Re\n2 1 1\ndirect\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.250001 0.250001 0.250001 Cr\n0.750000 0.750000 0.750000 Re\n",
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{
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"created_at": "2022-09-04T14:37:17.498961Z",
"updated_at": "2022-09-04T14:37:17.498983Z",
"structure_string": "Mg4 Co4 O8\n1.0\n-2.969280 0.001609 0.006078\n-0.004284 -7.430547 -0.042433\n0.015871 2.458105 6.868848\nMg Co O\n4 4 8\ndirect\n0.759087 0.797932 0.939887 Mg\n0.259024 0.176374 0.079283 Mg\n0.259097 0.928980 0.318106 Mg\n0.759021 0.045332 0.701067 Mg\n0.258871 0.419694 0.821462 Co\n0.258961 0.667013 0.548810 Co\n0.759151 0.307298 0.470362 Co\n0.759239 0.554615 0.197709 Co\n0.259135 0.416496 0.320790 O\n0.259047 0.166010 0.575908 O\n0.759065 0.808302 0.443264 O\n0.758967 0.557814 0.698382 O\n0.758956 0.294678 0.949646 O\n0.259038 0.926162 0.822928 O\n0.259151 0.679630 0.069526 O\n0.759071 0.048147 0.196245 O\n",
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