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{
"id": "jvasp-111819",
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"structure_string": "Fe4 Sn4 Pt4\n1.0\n4.018268 -0.000000 -0.000000\n-2.009134 3.479922 0.000000\n0.000000 0.000000 15.955725\nFe Sn Pt\n4 4 4\ndirect\n0.666667 0.333333 0.246038 Fe\n0.666667 0.333333 0.562304 Fe\n0.000000 0.000000 0.179723 Fe\n0.000000 0.000000 0.498596 Fe\n0.666667 0.333333 0.921893 Sn\n0.333334 0.666667 0.108369 Sn\n0.333334 0.666667 0.422242 Sn\n0.333334 0.666667 0.735823 Sn\n0.000000 0.000000 0.831714 Pt\n0.000000 0.000000 0.012630 Pt\n0.000000 0.000000 0.331188 Pt\n0.000000 0.000000 0.649482 Pt\n",
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{
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"structure_string": "Be1 S2\n1.0\n4.211851 0.000000 0.000000\n-2.105926 3.647570 -0.000000\n-0.000000 0.000000 3.693350\nBe S\n1 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.333332 0.666666 0.000000 S\n0.666666 0.333333 0.000000 S\n",
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{
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"structure_string": "Cd1 Sn7\n1.0\n6.619804 0.000000 -0.000000\n0.000000 6.619804 -0.000000\n-0.000000 0.000000 6.619804\nCd Sn\n1 7\ndirect\n0.000000 0.000000 0.500000 Cd\n0.247386 0.247386 0.747386 Sn\n0.000000 0.500000 0.000000 Sn\n0.247386 0.752613 0.252613 Sn\n0.500000 0.000000 0.000000 Sn\n0.752613 0.247386 0.252613 Sn\n0.500000 0.500000 0.500000 Sn\n0.752613 0.752613 0.747386 Sn\n",
"nsites": 8,
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{
"id": "jvasp-118732",
"created_at": "2022-09-04T14:38:53.607990Z",
"updated_at": "2022-09-04T14:38:53.608031Z",
"structure_string": "Mn1 F1\n1.0\n5.291772 0.000000 0.000000\n0.000000 5.291772 0.000000\n0.000000 0.000000 7.408481\nMn F\n1 1\ndirect\n0.000000 0.000000 0.835383 Mn\n0.000000 0.000000 0.164616 F\n",
"nsites": 2,
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"elements": [
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"volume": 207.45858883836436,
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"formula_full": "Mn1 F1",
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{
"id": "jvasp-122012",
"created_at": "2022-09-04T14:38:53.603510Z",
"updated_at": "2022-09-04T14:38:53.603537Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n2.817996 0.071958 0.358569\n1.093191 7.385841 1.222430\n0.023921 -0.020669 11.102129\nLi Mn Co O\n8 2 4 14\ndirect\n0.776959 0.366577 0.079895 Li\n0.942999 0.779316 0.333701 Li\n0.068258 0.219114 0.644556 Li\n0.209015 0.634044 0.947834 Li\n0.357558 0.070259 0.214376 Li\n0.503516 0.498801 0.493556 Li\n0.640907 0.929352 0.789414 Li\n0.577011 0.702663 0.142983 Li\n0.000663 0.993420 0.005629 Mn\n0.286598 0.857431 0.569390 Mn\n0.713268 0.143858 0.429615 Co\n0.856889 0.572691 0.713546 Co\n0.141110 0.433443 0.284094 Co\n0.428131 0.287481 0.856404 Co\n0.884264 0.689363 0.542527 O\n0.403903 0.169075 0.022978 O\n0.545277 0.589560 0.319195 O\n0.686840 0.024617 0.601293 O\n0.833024 0.454650 0.878987 O\n0.962520 0.909590 0.165609 O\n0.117757 0.307218 0.456813 O\n0.259949 0.741976 0.737737 O\n0.179304 0.523519 0.117820 O\n0.311827 0.973672 0.403212 O\n0.452310 0.406973 0.688845 O\n0.598012 0.839445 0.965315 O\n0.736830 0.261097 0.265491 O\n0.025312 0.120795 0.829187 O\n",
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{
"id": "jvasp-118726",
"created_at": "2022-09-04T14:38:53.596374Z",
"updated_at": "2022-09-04T14:38:53.596406Z",
"structure_string": "Mg1 Ta1 O3\n1.0\n2.772973 -2.947920 0.037861\n2.772973 2.947920 0.037861\n-0.708743 0.000000 3.961454\nMg Ta O\n1 1 3\ndirect\n0.474591 0.474591 0.680465 Mg\n0.030764 0.030764 0.949566 Ta\n0.531467 0.018549 0.909181 O\n0.018549 0.531467 0.909181 O\n0.057988 0.057988 0.438253 O\n",
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{
"id": "jvasp-117866",
"created_at": "2022-09-04T14:38:53.596075Z",
"updated_at": "2022-09-04T14:38:53.596103Z",
"structure_string": "Pb1 Br1\n1.0\n4.391408 -0.000000 -0.000000\n0.000000 4.391408 0.000000\n0.000000 0.000000 3.560167\nPb Br\n1 1\ndirect\n0.500001 0.500001 0.000000 Pb\n0.000000 0.000000 0.000000 Br\n",
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"density": 6.944010885447633,
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"volume": 68.655913137497,
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"formula_full": "Pb1 Br1",
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"formula_anonymous": "AB",
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"spacegroup": 123
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{
"id": "jvasp-118066",
"created_at": "2022-09-04T14:38:53.595768Z",
"updated_at": "2022-09-04T14:38:53.595797Z",
"structure_string": "Sr2 H1 Cl1\n1.0\n-0.000000 3.714744 3.714744\n3.714744 0.000000 3.714744\n3.714744 3.714744 0.000000\nSr H Cl\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.749999 0.749999 0.749999 Sr\n0.500000 0.500000 0.500000 H\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 4,
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{
"id": "jvasp-123399",
"created_at": "2022-09-04T14:38:53.593192Z",
"updated_at": "2022-09-04T14:38:53.593223Z",
"structure_string": "Zr1 Hg1\n1.0\n1.579348 -2.735508 0.000000\n1.579348 2.735508 0.000000\n0.000000 0.000000 5.097990\nZr Hg\n1 1\ndirect\n0.333334 0.666668 0.750000 Zr\n0.666668 0.333334 0.250000 Hg\n",
"nsites": 2,
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"density": 11.00044926175051,
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{
"id": "jvasp-120293",
"created_at": "2022-09-04T14:38:53.591451Z",
"updated_at": "2022-09-04T14:38:53.591477Z",
"structure_string": "Li2 Y1 O3\n1.0\n4.756910 -2.219574 0.007370\n4.756910 2.219574 0.007370\n-0.006799 0.000000 3.478238\nLi Y O\n2 1 3\ndirect\n0.650888 0.650888 0.000312 Li\n0.349112 0.349112 0.999690 Li\n0.000000 0.000000 0.500001 Y\n0.150603 0.150603 0.000189 O\n0.849397 0.849397 0.999813 O\n0.500000 0.500000 0.500001 O\n",
"nsites": 6,
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{
"id": "jvasp-120463",
"created_at": "2022-09-04T14:38:53.585182Z",
"updated_at": "2022-09-04T14:38:53.585213Z",
"structure_string": "Tm8 Br16\n1.0\n6.550157 -0.000000 0.000000\n0.000000 7.631884 0.000000\n-0.000000 -0.000000 12.730871\nTm Br\n8 16\ndirect\n0.170758 0.547274 0.904322 Tm\n0.829243 0.452726 0.095678 Tm\n0.329242 0.047274 0.095678 Tm\n0.829243 0.952725 0.404322 Tm\n0.670758 0.952725 0.904322 Tm\n0.170758 0.047274 0.595678 Tm\n0.670758 0.452726 0.595678 Tm\n0.329242 0.547274 0.404322 Tm\n0.021016 0.201697 0.954381 Br\n0.521016 0.798302 0.545619 Br\n0.978984 0.798302 0.045619 Br\n0.478984 0.201697 0.454381 Br\n0.978984 0.298302 0.454381 Br\n0.021016 0.701697 0.545619 Br\n0.206830 0.878029 0.294352 Br\n0.706830 0.621970 0.294352 Br\n0.293170 0.378029 0.705648 Br\n0.793170 0.621970 0.794352 Br\n0.521016 0.298302 0.954381 Br\n0.206830 0.378029 0.205648 Br\n0.706830 0.121971 0.205648 Br\n0.293170 0.878029 0.794352 Br\n0.793170 0.121971 0.705648 Br\n0.478984 0.701697 0.045619 Br\n",
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{
"id": "jvasp-120840",
"created_at": "2022-09-04T14:38:53.584663Z",
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"structure_string": "B1 Se1\n1.0\n3.458216 0.000000 -0.000000\n-1.729108 2.994903 0.000000\n-0.000000 -0.000000 3.401286\nB Se\n1 1\ndirect\n0.000000 0.000000 0.000000 B\n0.333332 0.666666 0.000000 Se\n",
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}