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{
"id": "jvasp-101904",
"created_at": "2022-09-04T14:36:42.342338Z",
"updated_at": "2022-09-04T14:36:42.342355Z",
"structure_string": "Zn1 H4 C4 O4\n1.0\n5.061003 0.003169 0.001490\n2.527215 3.736602 1.776484\n-0.001419 -0.126348 6.556576\nZn H C O\n1 4 4 4\ndirect\n0.811078 0.859996 0.285677 Zn\n0.050839 0.244188 0.769207 H\n0.935563 0.101611 0.595739 H\n0.435195 0.475709 0.802167 H\n0.177263 0.618130 0.975625 H\n0.337105 0.120829 0.533854 C\n0.144141 0.049470 0.695781 C\n0.333673 0.670415 0.875598 C\n0.597865 0.599190 0.037534 C\n0.247542 0.436408 0.403511 O\n0.594084 0.850198 0.533845 O\n0.823928 0.283649 0.167815 O\n0.584061 0.869892 0.037607 O\n",
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"structure_string": "V1 N2 Cl6\n1.0\n-4.649413 -4.649413 -0.000000\n-4.649413 -0.000000 -4.649413\n-0.000000 -4.649413 -4.649413\nV N Cl\n1 2 6\ndirect\n0.000000 0.000000 0.000000 V\n0.250000 0.250000 0.250000 N\n0.750000 0.750000 0.750000 N\n0.756893 0.243106 0.243106 Cl\n0.756893 0.243106 0.756893 Cl\n0.756893 0.756893 0.243106 Cl\n0.243106 0.756893 0.756893 Cl\n0.243106 0.756893 0.243106 Cl\n0.243106 0.243106 0.756893 Cl\n",
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{
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"updated_at": "2022-09-04T14:38:54.546298Z",
"structure_string": "Mg1 P1 O1\n1.0\n3.137165 1.515241 0.000000\n1.109158 5.600963 0.000000\n0.000000 0.000000 3.090989\nMg P O\n1 1 1\ndirect\n0.016392 -0.178585 0.000000 Mg\n-0.081947 0.417527 0.000000 P\n0.286591 0.053904 0.000000 O\n",
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"volume": 49.11737125347981,
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"spacegroup": 25
},
{
"id": "jvasp-34761",
"created_at": "2022-09-04T14:38:32.503473Z",
"updated_at": "2022-09-04T14:38:32.503506Z",
"structure_string": "K2 Cl2 O6\n1.0\n0.000000 4.630269 0.079100\n5.582849 0.000000 0.000000\n0.000000 -2.417216 -6.572535\nK Cl O\n2 2 6\ndirect\n0.643243 0.250000 0.291943 K\n0.356756 0.750000 0.708056 K\n0.879280 0.250000 0.828469 Cl\n0.120719 0.750000 0.171530 Cl\n0.143146 0.965972 0.304149 O\n0.856853 0.465972 0.695850 O\n0.856853 0.034028 0.695850 O\n0.143146 0.534028 0.304149 O\n0.407302 0.750000 0.118141 O\n0.592697 0.250000 0.881858 O\n",
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"volume": 168.83318803977193,
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"formula_full": "K2 Cl2 O6",
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"spacegroup": 11
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{
"id": "jvasp-43427",
"created_at": "2022-09-04T14:35:49.206443Z",
"updated_at": "2022-09-04T14:35:49.206468Z",
"structure_string": "K4 O2\n1.0\n0.000000 4.270734 0.246018\n8.165876 0.000000 0.000000\n0.000000 -1.912676 -3.831135\nK O\n4 2\ndirect\n0.000264 0.875848 0.998722 K\n0.333531 0.622525 0.665782 K\n0.666466 0.122524 0.334217 K\n-0.000266 0.375848 0.001276 K\n0.333087 0.251628 0.667772 O\n0.666911 0.751629 0.332226 O\n",
"nsites": 6,
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"formula_full": "K4 O2",
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{
"id": "jvasp-113649",
"created_at": "2022-09-04T14:38:45.530436Z",
"updated_at": "2022-09-04T14:38:45.530463Z",
"structure_string": "Al1 H2 O2\n1.0\n2.911883 0.000000 -0.000000\n-1.455942 2.521765 0.000000\n-0.000000 -0.000000 5.721107\nAl H O\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.666665 0.333333 0.357368 H\n0.333332 0.666666 0.642632 H\n0.333332 0.666666 0.835522 O\n0.666665 0.333333 0.164479 O\n",
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"volume": 42.01057289828068,
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{
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"created_at": "2022-09-04T14:37:19.417423Z",
"updated_at": "2022-09-04T14:37:19.417452Z",
"structure_string": "Rb6 C5\n1.0\n3.837630 -6.646971 -0.000000\n3.837630 6.646971 0.000000\n-0.000000 -0.000000 7.733420\nRb C\n6 5\ndirect\n0.389072 0.389072 0.500000 Rb\n0.610927 0.000000 0.500000 Rb\n0.653579 0.653579 0.000000 Rb\n0.346421 0.000000 0.000000 Rb\n0.000000 0.346421 0.000000 Rb\n0.000000 0.610927 0.500000 Rb\n0.333333 0.666667 0.761704 C\n0.000000 0.000000 0.500000 C\n0.666667 0.333333 0.238296 C\n0.666667 0.333333 0.761704 C\n0.333333 0.666667 0.238296 C\n",
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"elements": [
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"volume": 394.53767175634584,
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"formula_full": "Rb6 C5",
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{
"id": "jvasp-7778",
"created_at": "2022-09-04T14:37:03.601312Z",
"updated_at": "2022-09-04T14:37:03.601338Z",
"structure_string": "Na4 C1 O4\n1.0\n5.090657 -0.099811 -1.782496\n-0.804657 4.520996 -2.551188\n-0.332825 -0.145540 5.255412\nNa C O\n4 1 4\ndirect\n0.466102 0.747950 0.682233 Na\n0.533897 0.065715 0.317765 Na\n0.881988 0.490064 0.263751 Na\n0.118012 0.226312 0.736247 Na\n-0.000000 0.774203 -0.000000 C\n0.110331 0.842132 0.831142 O\n0.889668 0.010988 0.168857 O\n0.215452 0.726258 0.227414 O\n0.784548 0.498843 0.772584 O\n",
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"volume": 115.66460460489509,
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"formula_full": "Na4 C1 O4",
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"formula_anonymous": "AB4C4",
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"spacegroup": 5
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{
"id": "jvasp-20967",
"created_at": "2022-09-04T14:38:34.620095Z",
"updated_at": "2022-09-04T14:38:34.620110Z",
"structure_string": "Li4 Si4 O10\n1.0\n4.817435 -0.000329 0.000130\n0.000430 5.412220 -2.148644\n-0.000214 0.011504 7.919721\nLi Si O\n4 4 10\ndirect\n0.596818 0.705366 0.113925 Li\n0.096818 0.591442 0.886076 Li\n0.096818 0.402179 0.113923 Li\n0.596819 0.288257 0.886077 Li\n0.094384 0.005783 0.705029 Si\n0.094383 0.987838 0.294971 Si\n0.594384 0.300754 0.294970 Si\n0.594384 0.692868 0.705030 Si\n0.534822 0.496810 0.500001 O\n0.931268 0.763790 0.726380 O\n0.431267 0.037411 0.273620 O\n0.431267 0.956210 0.726380 O\n0.931267 0.229831 0.273620 O\n-0.003376 0.735338 0.141470 O\n-0.003376 0.258283 0.858529 O\n0.496624 0.399755 0.141471 O\n0.496625 0.593869 0.858531 O\n0.034821 0.996809 0.499999 O\n",
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"formula_full": "Li4 Si4 O10",
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{
"id": "jvasp-110228",
"created_at": "2022-09-04T14:38:28.371306Z",
"updated_at": "2022-09-04T14:38:28.371323Z",
"structure_string": "K2 S2 O4 F2\n1.0\n5.600061 0.000000 0.000000\n-0.000000 4.444387 1.320911\n-0.000000 0.029396 6.764850\nK S O F\n2 2 4 2\ndirect\n0.245453 0.347867 0.294461 K\n0.745453 0.652134 0.705539 K\n0.725628 0.955259 0.157173 S\n0.225628 0.044743 0.842827 S\n0.034419 0.165173 0.691171 O\n0.534419 0.834829 0.308829 O\n0.756624 0.283387 0.119419 O\n0.256624 0.716614 0.880581 O\n0.987876 0.823899 0.327868 F\n0.487876 0.176103 0.672132 F\n",
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"formula_full": "K2 S2 O4 F2",
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{
"id": "jvasp-116880",
"created_at": "2022-09-04T14:38:34.582193Z",
"updated_at": "2022-09-04T14:38:34.582222Z",
"structure_string": "Li14 Mn2 O6 F6\n1.0\n5.244136 -0.050750 1.243316\n-3.518997 5.417175 0.627611\n-0.079235 -0.053192 10.133871\nLi Mn O F\n14 2 6 6\ndirect\n0.095737 0.099271 0.222921 Li\n0.963207 0.906089 0.730096 Li\n0.882478 0.390250 0.276351 Li\n0.517172 0.008722 0.617689 Li\n0.477796 0.500564 0.891019 Li\n0.758698 0.805124 0.534134 Li\n0.727536 0.248573 0.055494 Li\n0.697109 0.115526 0.815526 Li\n0.202375 0.684252 0.957068 Li\n0.273294 0.230907 0.444695 Li\n0.542326 0.541290 0.123477 Li\n0.447720 0.945858 0.394230 Li\n0.093079 0.612315 0.749414 Li\n0.297232 0.383402 0.671478 Li\n0.102422 0.064630 0.950176 Mn\n0.985641 0.448793 0.516183 Mn\n0.934119 0.129765 0.624061 O\n0.622394 0.269312 0.465297 O\n0.061492 0.354115 0.874738 O\n0.392060 0.254303 0.042925 O\n0.255026 0.924680 0.809271 O\n0.347506 0.690918 0.559987 O\n0.726676 0.585761 0.707896 F\n0.094561 0.932960 0.380745 F\n0.245920 0.421365 0.295119 F\n0.909756 0.582569 0.121454 F\n0.608119 0.790264 0.953443 F\n0.738581 0.078438 0.215112 F\n",
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{
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"created_at": "2022-09-04T14:36:08.182044Z",
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"structure_string": "Ca2 Si4\n1.0\n-1.946080 -3.370710 -0.000000\n1.946080 -3.370710 -0.000000\n0.000000 -2.247141 10.098305\nCa Si\n2 4\ndirect\n0.080270 0.080270 0.759189 Ca\n0.919730 0.919730 0.240811 Ca\n0.182997 0.182997 0.451009 Si\n0.817003 0.817003 0.548991 Si\n0.347514 0.347514 0.957459 Si\n0.652486 0.652486 0.042541 Si\n",
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}
]
}