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"id": "jvasp-45504",
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"updated_at": "2022-09-04T14:36:51.924761Z",
"structure_string": "Ca4 Ti4 O12\n1.0\n5.387806 -0.000000 0.000000\n-0.000000 5.490889 0.000000\n0.000000 0.000000 7.667134\nCa Ti O\n4 4 12\ndirect\n0.990649 0.044368 0.250000 Ca\n0.490648 0.455632 0.750000 Ca\n0.509352 0.544368 0.250000 Ca\n0.009352 0.955632 0.750000 Ca\n0.500000 0.000000 0.000000 Ti\n0.000000 0.500000 0.000000 Ti\n0.000000 0.500000 0.500000 Ti\n0.500000 0.000000 0.500000 Ti\n0.207898 0.208742 0.958271 O\n0.707898 0.291258 0.041728 O\n0.292103 0.708742 0.958271 O\n0.792103 0.791258 0.041728 O\n0.207898 0.208742 0.541728 O\n0.420430 0.979893 0.250000 O\n0.079570 0.479893 0.250000 O\n0.579570 0.020107 0.750000 O\n0.292103 0.708742 0.541728 O\n0.920431 0.520107 0.750000 O\n0.707898 0.291258 0.458272 O\n0.792103 0.791258 0.458272 O\n",
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{
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{
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"created_at": "2022-09-04T14:38:33.854566Z",
"updated_at": "2022-09-04T14:38:33.854589Z",
"structure_string": "Dy4 Mn4 Ge4\n1.0\n4.105466 -0.000000 0.000000\n-0.000000 7.049724 0.000000\n0.000000 0.000000 7.838271\nDy Mn Ge\n4 4 4\ndirect\n0.250000 0.520441 0.183987 Dy\n0.750001 0.479558 0.816013 Dy\n0.250000 0.020442 0.316013 Dy\n0.750001 0.979558 0.683987 Dy\n0.750001 0.366515 0.443750 Mn\n0.250000 0.133484 0.943750 Mn\n0.750001 0.866515 0.056250 Mn\n0.250000 0.633484 0.556250 Mn\n0.250000 0.275643 0.616170 Ge\n0.750001 0.224356 0.116170 Ge\n0.250000 0.775643 0.883830 Ge\n0.750001 0.724356 0.383830 Ge\n",
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"density": 8.49315596982717,
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{
"id": "jvasp-13246",
"created_at": "2022-09-04T14:38:11.587515Z",
"updated_at": "2022-09-04T14:38:11.587532Z",
"structure_string": "Pr4 S4 O4\n1.0\n0.000000 5.727050 -0.005394\n5.752010 0.000000 -0.000000\n-0.000000 -1.447666 -6.886364\nPr S O\n4 4 4\ndirect\n0.714188 0.000022 0.321324 Pr\n0.285811 0.999978 0.678675 Pr\n0.214188 0.499978 0.321324 Pr\n0.785811 0.500022 0.678674 Pr\n0.853911 0.000058 0.880554 S\n0.353911 0.499942 0.880554 S\n0.146088 0.999942 0.119445 S\n0.646088 0.500058 0.119445 S\n0.499985 0.756100 0.499981 O\n0.999985 0.743900 0.499980 O\n0.000015 0.256100 0.500019 O\n0.500015 0.243900 0.500018 O\n",
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{
"id": "jvasp-13976",
"created_at": "2022-09-04T14:35:44.895237Z",
"updated_at": "2022-09-04T14:35:44.895265Z",
"structure_string": "Li2 Sm2 Al2 F12\n1.0\n2.427577 -4.204686 -0.000000\n2.427577 4.204686 0.000000\n0.000000 0.000000 11.114521\nLi Sm Al F\n2 2 2 12\ndirect\n0.666668 0.333334 0.750000 Li\n0.333334 0.666668 0.250000 Li\n0.000000 0.000000 0.500000 Sm\n0.000000 0.000000 0.000000 Sm\n0.333334 0.666668 0.750000 Al\n0.666668 0.333334 0.250000 Al\n0.643009 0.976232 0.656165 F\n0.643009 0.666778 0.843835 F\n0.333224 0.976232 0.843835 F\n0.666778 0.643009 0.156165 F\n0.976232 0.333224 0.156165 F\n0.356993 0.023769 0.156165 F\n0.333224 0.356993 0.656165 F\n0.023769 0.356993 0.843835 F\n0.666778 0.023769 0.343835 F\n0.356993 0.333224 0.343835 F\n0.023769 0.666778 0.656165 F\n0.976232 0.643009 0.343835 F\n",
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"elements": [
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"formula_full": "Li2 Sm2 Al2 F12",
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{
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"structure_string": "Ga2 Ag2 Te2 Se2\n1.0\n5.688247 0.022016 -4.607083\n-1.260515 5.442686 -4.729706\n0.032202 -0.022016 7.319859\nGa Ag Te Se\n2 2 2 2\ndirect\n0.130922 0.880923 0.250000 Ga\n0.369077 0.619077 0.750000 Ga\n0.639401 0.389401 0.250000 Ag\n0.860599 0.110599 0.750001 Ag\n0.250000 0.510323 0.260323 Te\n0.750000 0.989678 0.239677 Te\n0.466242 0.250000 0.716243 Se\n0.033756 0.750000 0.783757 Se\n",
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"density_atomic": 0.03525703030627952,
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"formula_full": "Ga2 Ag2 Te2 Se2",
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"spacegroup": 24
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{
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"created_at": "2022-09-04T14:37:07.670120Z",
"updated_at": "2022-09-04T14:37:07.670147Z",
"structure_string": "Ca2 Tb4 O8\n1.0\n0.000000 6.845655 0.000000\n3.422829 -3.422828 4.841964\n6.845657 0.000000 -0.000000\nTb Ca O\n4 2 8\ndirect\n0.375000 0.250000 0.375000 Tb\n0.874999 0.250000 0.375000 Tb\n0.374999 0.749999 0.375001 Tb\n0.374999 0.749999 0.875001 Tb\n0.000001 0.000002 0.999999 Ca\n0.749998 0.499998 0.750002 Ca\n0.137472 0.274944 0.137352 O\n0.612527 0.225056 0.162296 O\n0.587706 0.725058 0.137471 O\n0.137351 0.725058 0.137471 O\n0.612527 0.225056 0.612649 O\n0.137472 0.274944 0.587705 O\n0.162292 0.774940 0.612531 O\n0.612647 0.774940 0.612531 O\n",
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"volume": 226.90898832434354,
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"formula_full": "Ca2 Tb4 O8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 227
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{
"id": "jvasp-66629",
"created_at": "2022-09-04T14:36:14.495619Z",
"updated_at": "2022-09-04T14:36:14.495644Z",
"structure_string": "Ba4 Mo1 W1\n1.0\n0.000000 4.841096 4.841096\n4.841096 -0.000000 4.841096\n4.841096 4.841096 0.000000\nBa Mo W\n4 1 1\ndirect\n0.124149 0.625284 0.625284 Ba\n0.625284 0.625284 0.625284 Ba\n0.625284 0.124149 0.625284 Ba\n0.625284 0.625284 0.124149 Ba\n0.250000 0.250000 0.250000 Mo\n0.000000 0.000000 0.000000 W\n",
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{
"id": "jvasp-86017",
"created_at": "2022-09-04T14:35:50.952319Z",
"updated_at": "2022-09-04T14:35:50.952354Z",
"structure_string": "Li2 U1 Mo2 O10\n1.0\n5.244928 0.015195 -1.003132\n-1.761253 5.227936 -1.829808\n-0.033263 -0.011169 8.278357\nLi U Mo O\n2 1 2 10\ndirect\n0.480377 0.215807 0.423927 Li\n0.519625 0.784195 0.576074 Li\n0.000000 0.000000 0.000000 U\n0.913707 0.656268 0.303489 Mo\n0.086295 0.343733 0.696512 Mo\n0.783310 0.126183 0.540482 O\n0.784690 0.793901 0.150625 O\n0.683106 0.947846 0.836736 O\n0.980963 0.375823 0.177479 O\n0.314683 0.431824 0.583398 O\n0.019039 0.624179 0.822522 O\n0.215312 0.206100 0.849376 O\n0.685319 0.568177 0.416603 O\n0.216692 0.873818 0.459519 O\n0.316896 0.052155 0.163265 O\n",
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"created_at": "2022-09-04T14:38:06.231927Z",
"updated_at": "2022-09-04T14:38:06.231938Z",
"structure_string": "Na6 Al2 H12\n1.0\n0.000000 5.339660 0.000135\n5.527076 0.000000 0.000000\n0.000000 -5.336457 -7.689258\nNa Al H\n6 2 12\ndirect\n0.500000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.242926 0.953134 0.752931 Na\n0.757074 0.453134 0.747070 Na\n0.757075 0.046867 0.247070 Na\n0.242926 0.546867 0.252931 Na\n0.000000 0.000000 0.000000 Al\n-0.000000 0.500000 0.500000 Al\n0.681862 0.452691 0.282980 H\n0.318138 0.952691 0.217020 H\n0.772309 0.669392 0.544851 H\n0.227691 0.169391 0.955150 H\n0.227691 0.330609 0.455149 H\n0.902537 0.268710 0.062998 H\n0.097464 0.731291 0.937003 H\n0.902536 0.231290 0.562998 H\n0.681862 0.047309 0.782981 H\n0.097464 0.768710 0.437003 H\n0.772309 0.830610 0.044851 H\n0.318138 0.547310 0.717020 H\n",
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}