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{
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{
"id": "jvasp-103329",
"created_at": "2022-09-04T14:36:41.810257Z",
"updated_at": "2022-09-04T14:36:41.810271Z",
"structure_string": "Y2 Al1 Cd1\n1.0\n4.498788 -0.000000 2.597377\n1.499596 4.241498 2.597377\n-0.000000 -0.000000 5.194753\nY Al Cd\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Y\n0.750001 0.750000 0.750000 Y\n0.500001 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Cd\n",
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{
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"structure_string": "Ba6 Sc2 N6\n1.0\n8.344056 -0.000000 0.000000\n-4.172022 7.226143 0.000000\n-0.000000 -0.000000 5.754069\nBa Sc N\n6 2 6\ndirect\n0.921789 0.647182 0.250000 Ba\n0.725393 0.078211 0.250000 Ba\n0.352820 0.274608 0.250000 Ba\n0.078212 0.352818 0.750000 Ba\n0.274608 0.921789 0.750000 Ba\n0.647180 0.725391 0.750000 Ba\n0.666667 0.333333 0.750000 Sc\n0.333333 0.666666 0.250000 Sc\n0.886133 0.599707 0.750000 N\n0.713576 0.113867 0.750000 N\n0.400295 0.286428 0.750000 N\n0.113867 0.400293 0.250000 N\n0.286424 0.886133 0.250000 N\n0.599705 0.713572 0.250000 N\n",
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"updated_at": "2022-09-04T14:36:36.461119Z",
"structure_string": "Hg1 N1 Cl3\n1.0\n4.003934 0.000000 0.000000\n-0.000000 4.003934 -0.000000\n0.000000 -0.000000 7.729403\nHg N Cl\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Hg\n0.499999 0.499999 0.500000 N\n0.499999 0.499999 0.000000 Cl\n0.000000 0.000000 0.691898 Cl\n0.000000 0.000000 0.308102 Cl\n",
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{
"id": "jvasp-12894",
"created_at": "2022-09-04T14:38:18.427534Z",
"updated_at": "2022-09-04T14:38:18.427552Z",
"structure_string": "Ca6 Al4 As8\n1.0\n8.287339 0.128175 0.243787\n0.235909 7.284702 2.730040\n0.187777 0.886840 7.730065\nCa Al As\n6 4 8\ndirect\n0.250000 0.847946 0.152054 Ca\n0.635359 0.639698 0.090902 Ca\n0.364642 0.360302 0.909098 Ca\n0.135359 0.090901 0.639698 Ca\n0.750000 0.152054 0.847946 Ca\n0.864642 0.909098 0.360302 Ca\n0.456173 0.807493 0.583284 Al\n0.543828 0.192506 0.416716 Al\n0.043828 0.416716 0.192506 Al\n0.956173 0.583284 0.807494 Al\n0.038815 0.228436 -0.004964 As\n0.669926 0.557631 0.738321 As\n0.830075 0.261678 0.442369 As\n0.169926 0.738321 0.557631 As\n0.330075 0.442369 0.261679 As\n0.961186 0.771563 0.004964 As\n0.538815 -0.004964 0.228436 As\n0.461186 0.004963 0.771564 As\n",
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"elements": [
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"volume": 446.1551170288821,
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{
"id": "jvasp-8399",
"created_at": "2022-09-04T14:37:07.708286Z",
"updated_at": "2022-09-04T14:37:07.708322Z",
"structure_string": "Ti2 S4\n1.0\n4.930232 -0.000000 -2.242322\n-1.019831 4.823600 -2.242322\n-0.085826 -0.105869 6.352547\nTi S\n2 4\ndirect\n0.250000 0.750000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.880582 0.875000 0.250001 S\n0.624999 0.119418 0.750000 S\n0.369417 0.375000 0.250000 S\n0.124999 0.630582 0.750000 S\n",
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{
"id": "jvasp-92948",
"created_at": "2022-09-04T14:36:06.131443Z",
"updated_at": "2022-09-04T14:36:06.131467Z",
"structure_string": "Rb1 Mg6 C1\n1.0\n8.224331 -0.009853 0.000000\n-4.120699 7.117552 0.000000\n0.000000 0.000000 3.390140\nRb Mg C\n1 6 1\ndirect\n0.159926 0.340074 0.250000 Rb\n0.204312 0.957326 0.250000 Mg\n0.542674 0.295688 0.250000 Mg\n0.710063 0.789937 0.250000 Mg\n0.367456 0.794879 0.750000 Mg\n0.705121 0.132545 0.750000 Mg\n0.907577 0.592424 0.750000 Mg\n0.402877 0.097123 0.750000 C\n",
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"formula_full": "Rb1 Mg6 C1",
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"spacegroup": 38
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{
"id": "jvasp-122109",
"created_at": "2022-09-04T14:38:55.357740Z",
"updated_at": "2022-09-04T14:38:55.357767Z",
"structure_string": "Na2 Tb2 Cl8\n1.0\n6.522036 0.077183 -0.209760\n-1.249839 6.551798 0.031602\n0.023756 -0.009754 6.945305\nTb Na Cl\n2 2 8\ndirect\n0.788768 0.700012 0.942944 Tb\n0.211233 0.299988 0.057055 Tb\n0.225678 0.810847 0.457335 Na\n0.774323 0.189154 0.542664 Na\n0.604642 0.779711 0.622626 Cl\n0.395359 0.220289 0.377373 Cl\n0.089760 0.001471 0.786253 Cl\n0.910242 -0.001471 0.213746 Cl\n0.056269 0.500150 0.750834 Cl\n0.943733 0.499851 0.249165 Cl\n0.575820 0.302166 0.886162 Cl\n0.424181 0.697835 0.113837 Cl\n",
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"volume": 297.482408683952,
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"formula_full": "Na2 Tb2 Cl8",
"formula_reduced": "NaTbCl4",
"formula_anonymous": "ABC4",
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"spacegroup": 2
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{
"id": "jvasp-120917",
"created_at": "2022-09-04T14:38:53.915224Z",
"updated_at": "2022-09-04T14:38:53.915249Z",
"structure_string": "Tl1 Br4 O1\n1.0\n-4.244674 4.244673 2.063918\n4.244674 -4.244673 2.063918\n4.244673 4.244674 -2.063918\nTl Br O\n1 4 1\ndirect\n-0.017685 -0.017685 -0.000000 Tl\n0.118706 0.654185 0.808656 Br\n0.845528 0.310050 0.191344 Br\n0.654184 0.845528 0.535478 Br\n0.310050 0.118706 0.464521 Br\n0.482313 0.482313 -0.000000 O\n",
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"volume": 148.74453211292635,
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{
"id": "jvasp-19057",
"created_at": "2022-09-04T14:37:05.072991Z",
"updated_at": "2022-09-04T14:37:05.073016Z",
"structure_string": "K4 Au4 S20\n1.0\n7.507025 0.000000 3.308164\n2.398058 8.906969 4.729935\n-0.085470 0.052936 10.365662\nK Au S\n4 4 20\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 -0.000000 K\n0.250000 0.750000 0.750000 K\n0.750000 0.250000 0.250000 K\n0.250000 0.388403 0.111597 Au\n0.750000 0.611597 0.888403 Au\n0.750000 0.888403 0.611597 Au\n0.250000 0.111597 0.388403 Au\n0.559479 0.657373 0.342627 S\n0.059480 0.842627 0.157373 S\n0.940520 0.157373 0.842627 S\n0.440520 0.342628 0.657372 S\n0.147947 0.288334 0.005920 S\n0.942200 0.211666 0.494080 S\n0.183630 0.432717 0.780469 S\n0.852052 0.711666 0.994080 S\n0.057799 0.788334 0.505920 S\n0.647947 0.505920 0.788334 S\n0.442201 0.994081 0.711666 S\n0.396815 0.219531 0.567284 S\n0.683630 0.280470 0.932716 S\n0.103185 0.932716 0.280469 S\n0.816369 0.567284 0.219531 S\n0.603184 0.780469 0.432716 S\n0.316370 0.719531 0.067284 S\n0.896815 0.067284 0.719531 S\n0.557799 0.005920 0.288334 S\n0.352053 0.494081 0.211666 S\n",
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{
"id": "jvasp-78804",
"created_at": "2022-09-04T14:37:09.673603Z",
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"structure_string": "Ce2 Mg2\n1.0\n3.141277 0.000000 0.000000\n-1.570639 2.720425 -0.000000\n-0.000000 0.000000 11.604584\nCe Mg\n2 2\ndirect\n0.333334 0.666668 0.134193 Ce\n0.666668 0.333334 0.865806 Ce\n0.666668 0.333334 0.386140 Mg\n0.333334 0.666668 0.613860 Mg\n",
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{
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"created_at": "2022-09-04T14:35:46.696838Z",
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{
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"created_at": "2022-09-04T14:36:37.643693Z",
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"structure_string": "Ho1 Hg2\n1.0\n4.419721 -0.540090 -0.660683\n-2.677593 4.637726 -0.000000\n-0.296310 -0.171076 3.967647\nHo Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.666598 0.333299 0.664958 Hg\n0.333403 0.666701 0.335044 Hg\n",
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}