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{
"id": "jvasp-15088",
"created_at": "2022-09-04T14:36:03.394476Z",
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"structure_string": "Ce1 Cd3\n1.0\n4.463112 -0.000000 2.576780\n1.487704 4.207863 2.576780\n-0.000000 -0.000000 5.153558\nCe Cd\n1 3\ndirect\n0.000000 0.000000 0.000000 Ce\n0.499999 0.500000 0.500001 Cd\n0.250000 0.250000 0.250000 Cd\n0.749999 0.750000 0.750001 Cd\n",
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{
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"structure_string": "Ba1 Na2 Ge1\n1.0\n4.205333 0.000000 0.000000\n0.000000 4.205333 0.000000\n-0.000000 0.000000 7.301103\nBa Na Ge\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.687315 Na\n0.000000 0.000000 0.312685 Na\n0.500000 0.500000 0.500000 Ge\n",
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{
"id": "jvasp-91877",
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{
"id": "jvasp-64808",
"created_at": "2022-09-04T14:36:01.136564Z",
"updated_at": "2022-09-04T14:36:01.136584Z",
"structure_string": "Ba4 In1 Se1\n1.0\n0.000000 4.965276 4.965276\n4.965276 -0.000000 4.965276\n4.965276 4.965276 0.000000\nBa In Se\n4 1 1\ndirect\n0.122175 0.625943 0.625943 Ba\n0.625943 0.625943 0.625943 Ba\n0.625943 0.122175 0.625943 Ba\n0.625943 0.625943 0.122175 Ba\n0.250000 0.250000 0.250000 In\n0.000000 0.000000 0.000000 Se\n",
"nsites": 6,
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"elements": [
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],
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"volume": 244.82748894792513,
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"formula_full": "Ba4 In1 Se1",
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},
{
"id": "jvasp-105672",
"created_at": "2022-09-04T14:35:51.097796Z",
"updated_at": "2022-09-04T14:35:51.097817Z",
"structure_string": "Na2 Li1 Bi1 Br6\n1.0\n6.700246 0.000000 3.868389\n2.233415 6.317053 3.868389\n0.000000 0.000000 7.736778\nNa Li Bi Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500001 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Bi\n0.741176 0.258824 0.258824 Br\n0.258825 0.258824 0.741176 Br\n0.258825 0.741175 0.741176 Br\n0.258825 0.741175 0.258824 Br\n0.741176 0.258824 0.741176 Br\n0.741177 0.741175 0.258824 Br\n",
"nsites": 10,
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"elements": [
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"density_atomic": 0.030537578464616105,
"volume": 327.4653886386899,
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"formula_full": "Na2 Li1 Bi1 Br6",
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{
"id": "jvasp-65252",
"created_at": "2022-09-04T14:35:56.835494Z",
"updated_at": "2022-09-04T14:35:56.835520Z",
"structure_string": "Mg4 Be1 Pb1\n1.0\n0.000000 4.090846 4.090846\n4.090846 -0.000000 4.090846\n4.090846 4.090846 -0.000000\nMg Be Pb\n4 1 1\ndirect\n0.123470 0.625511 0.625511 Mg\n0.625511 0.625511 0.625511 Mg\n0.625511 0.123470 0.625511 Mg\n0.625511 0.625511 0.123470 Mg\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Pb\n",
"nsites": 6,
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"elements": [
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},
{
"id": "jvasp-94194",
"created_at": "2022-09-04T14:35:56.831785Z",
"updated_at": "2022-09-04T14:35:56.831812Z",
"structure_string": "Sr1 Mg6 Ni1\n1.0\n7.399760 0.833776 0.000000\n-2.977808 5.157715 0.000000\n0.000000 0.000000 4.872238\nSr Mg Ni\n1 6 1\ndirect\n0.096553 0.798276 0.250000 Sr\n0.613777 0.302307 0.250000 Mg\n0.613777 0.811471 0.250000 Mg\n0.343060 0.184222 0.750000 Mg\n0.343060 0.658840 0.750000 Mg\n0.923775 0.211889 0.750000 Mg\n0.759437 0.629721 0.750000 Mg\n0.306562 0.403281 0.250000 Ni\n",
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"density": 2.449459462492862,
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"volume": 198.0500335595017,
"volume_molar": 14.908564745225538,
"formula_full": "Sr1 Mg6 Ni1",
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"spacegroup": 38
},
{
"id": "jvasp-85326",
"created_at": "2022-09-04T14:35:50.766160Z",
"updated_at": "2022-09-04T14:35:50.766187Z",
"structure_string": "Eu1 Cd1\n1.0\n3.765430 -0.000000 0.000000\n-0.000000 3.765430 -0.000000\n0.000000 -0.000000 3.765430\nEu Cd\n1 1\ndirect\n0.500000 0.500000 0.500000 Eu\n0.000000 0.000000 0.000000 Cd\n",
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"elements": [
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"volume": 53.388010253775,
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"formula_full": "Eu1 Cd1",
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"spacegroup": 221
},
{
"id": "jvasp-64724",
"created_at": "2022-09-04T14:35:47.989652Z",
"updated_at": "2022-09-04T14:35:47.989677Z",
"structure_string": "Ba4 Ga1 Cu1\n1.0\n0.000000 4.961917 4.961917\n4.961917 0.000000 4.961917\n4.961917 4.961917 0.000000\nBa Ga Cu\n4 1 1\ndirect\n0.124271 0.625244 0.625244 Ba\n0.625244 0.625244 0.625244 Ba\n0.625244 0.124271 0.625244 Ba\n0.625244 0.625244 0.124271 Ba\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Cu\n",
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"formula_full": "Ba4 Ga1 Cu1",
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"spacegroup": 216
},
{
"id": "jvasp-92200",
"created_at": "2022-09-04T14:35:51.410436Z",
"updated_at": "2022-09-04T14:35:51.410471Z",
"structure_string": "Ce1 Mg6 Cu1\n1.0\n6.890046 -0.405215 0.000000\n-3.795949 5.764347 0.000000\n0.000000 0.000000 4.819581\nCe Mg Cu\n1 6 1\ndirect\n0.297850 0.202151 0.750000 Ce\n0.190738 0.817263 0.250000 Mg\n0.682738 0.309263 0.250000 Mg\n0.697217 0.802785 0.250000 Mg\n0.323914 0.680433 0.750000 Mg\n0.819569 0.176087 0.750000 Mg\n0.853057 0.646946 0.750000 Mg\n0.134923 0.365078 0.250000 Cu\n",
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"formula_full": "Ce1 Mg6 Cu1",
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"spacegroup": 38
},
{
"id": "jvasp-105636",
"created_at": "2022-09-04T14:36:03.545855Z",
"updated_at": "2022-09-04T14:36:03.545875Z",
"structure_string": "K2 In1 Au1 I6\n1.0\n7.205415 0.000000 4.160048\n2.401805 6.793330 4.160048\n0.000000 0.000000 8.320097\nK In Au I\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 In\n0.500001 0.500000 0.500000 Au\n0.747093 0.252908 0.252908 I\n0.252908 0.252908 0.747092 I\n0.252909 0.747092 0.747092 I\n0.252909 0.747092 0.252908 I\n0.747093 0.252908 0.747092 I\n0.747093 0.747092 0.252908 I\n",
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{
"id": "jvasp-91402",
"created_at": "2022-09-04T14:35:53.439344Z",
"updated_at": "2022-09-04T14:35:53.439367Z",
"structure_string": "Ba4 Mg6 F20\n1.0\n5.697595 0.000000 -1.832872\n-0.902879 7.260793 -2.806652\n0.004954 0.010640 9.787492\nBa Mg F\n4 6 20\ndirect\n0.717436 0.315029 0.434875 Ba\n0.282562 0.684971 0.565124 Ba\n0.614027 0.719592 0.228056 Ba\n0.385972 0.280408 0.771944 Ba\n0.253734 -0.000000 0.000000 Mg\n0.177197 0.016179 0.354395 Mg\n0.746265 -0.000000 0.000000 Mg\n0.073825 0.453853 0.147651 Mg\n0.926173 0.546147 0.852348 Mg\n0.822801 0.983821 0.645605 Mg\n0.866345 0.256602 0.732691 F\n0.780513 0.500000 0.000000 F\n0.219486 0.500000 0.000000 F\n0.517107 0.180965 0.034215 F\n0.482891 0.819035 0.965785 F\n0.236520 0.281027 0.473041 F\n0.763478 0.718973 0.526959 F\n0.133653 0.743397 0.267309 F\n0.021788 0.181971 0.043576 F\n0.089840 0.526911 0.704154 F\n0.614313 0.526911 0.704154 F\n0.910158 0.473089 0.295845 F\n0.385686 0.473089 0.295845 F\n-0.000000 -0.000000 0.500000 F\n0.636347 0.973910 0.778625 F\n0.857722 0.026090 0.221374 F\n0.363651 0.026090 0.221374 F\n0.142276 0.973910 0.778625 F\n0.978210 0.818028 0.956424 F\n0.499999 -0.000000 0.500000 F\n",
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