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{
"id": "jvasp-50828",
"created_at": "2022-09-04T14:37:13.804074Z",
"updated_at": "2022-09-04T14:37:13.804099Z",
"structure_string": "Ca2 Cl4 O12\n1.0\n0.000000 5.718871 3.584874\n5.993633 0.000000 3.584874\n5.993633 5.718871 0.000000\nCa Cl O\n2 4 12\ndirect\n0.997201 0.997200 0.002799 Ca\n0.247201 0.247201 0.252799 Ca\n0.597419 0.024542 0.514177 Cl\n0.386137 0.735823 0.225458 Cl\n0.735823 0.386137 0.652581 Cl\n0.024542 0.597419 0.863863 Cl\n0.148199 0.389791 0.851077 O\n0.639067 0.398922 0.860209 O\n0.269840 0.971908 0.137266 O\n0.818332 0.644342 0.426988 O\n0.644342 0.818332 0.110337 O\n0.389791 0.148198 0.610933 O\n0.398923 0.639066 0.101802 O\n0.139664 0.823011 0.605657 O\n0.823012 0.139663 0.431667 O\n0.629015 0.112734 0.278091 O\n0.971908 0.269840 0.620985 O\n0.112734 0.629015 0.980159 O\n",
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{
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"structure_string": "Ba4 Nb1 Pb1\n1.0\n0.000000 4.971657 4.971657\n4.971657 0.000000 4.971657\n4.971657 4.971657 -0.000000\nBa Nb Pb\n4 1 1\ndirect\n0.123915 0.625362 0.625362 Ba\n0.625362 0.625362 0.625362 Ba\n0.625362 0.123915 0.625362 Ba\n0.625362 0.625362 0.123915 Ba\n0.250000 0.250000 0.250000 Nb\n0.000000 0.000000 0.000000 Pb\n",
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{
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"updated_at": "2022-09-04T14:38:44.750831Z",
"structure_string": "Sm4 Zn2 Pt2 O12\n1.0\n5.842721 0.000000 0.000000\n-0.000000 4.457508 3.090971\n0.000000 0.008080 9.443554\nSm Zn Pt O\n4 2 2 12\ndirect\n0.424622 0.228667 0.749385 Sm\n0.575378 0.771333 0.250615 Sm\n0.924622 0.771333 0.750614 Sm\n0.075378 0.228667 0.249385 Sm\n0.000000 0.500000 0.500000 Zn\n0.500000 0.500000 -0.000000 Zn\n0.000000 0.000000 0.000000 Pt\n0.500000 -0.000000 0.500000 Pt\n0.808575 0.254399 0.054817 O\n0.191424 0.745601 0.945183 O\n0.800510 0.875755 0.442688 O\n0.199490 0.124245 0.557311 O\n0.300510 0.124245 0.057311 O\n0.960049 0.636629 0.248577 O\n0.460049 0.363371 0.251422 O\n0.539951 0.636629 0.748577 O\n0.691424 0.254399 0.554816 O\n0.039951 0.363371 0.751422 O\n0.699490 0.875755 0.942688 O\n0.308575 0.745601 0.445183 O\n",
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"elements": [
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{
"id": "jvasp-105256",
"created_at": "2022-09-04T14:36:56.030423Z",
"updated_at": "2022-09-04T14:36:56.030441Z",
"structure_string": "Sn2 Pb6\n1.0\n6.984667 0.000000 0.000000\n-3.492334 6.048899 0.000000\n0.000000 -0.000000 5.817887\nSn Pb\n2 6\ndirect\n0.333334 0.666667 0.750000 Sn\n0.666667 0.333333 0.250000 Sn\n0.168307 0.336614 0.250000 Pb\n0.663387 0.831693 0.250000 Pb\n0.168307 0.831693 0.250000 Pb\n0.831694 0.663386 0.750000 Pb\n0.336614 0.168307 0.750000 Pb\n0.831694 0.168307 0.750000 Pb\n",
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{
"id": "jvasp-97701",
"created_at": "2022-09-04T14:35:46.934495Z",
"updated_at": "2022-09-04T14:35:46.934505Z",
"structure_string": "Na8 Co2 O8\n1.0\n5.600294 -0.016238 0.919696\n1.841936 5.073847 1.824524\n0.013167 0.015189 8.648298\nNa Co O\n8 2 8\ndirect\n0.963959 0.789636 0.350718 Na\n0.976277 0.603813 0.761076 Na\n0.991131 0.363387 0.175717 Na\n0.480937 0.892402 0.144240 Na\n0.973502 0.241731 0.566920 Na\n0.468585 0.078237 0.733831 Na\n0.453780 0.318699 0.319187 Na\n0.471442 0.440237 0.928019 Na\n0.441525 0.684282 0.501573 Co\n0.003379 0.997745 0.993366 Co\n0.204096 0.672637 0.109118 O\n0.865973 0.995815 0.819732 O\n0.198061 0.210205 0.943249 O\n0.578880 0.686216 0.675226 O\n0.246815 0.471853 0.551664 O\n0.240836 0.009394 0.385807 O\n0.699120 0.547047 0.362845 O\n0.745805 0.134966 0.132115 O\n",
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"spacegroup": 2
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{
"id": "jvasp-52357",
"created_at": "2022-09-04T14:36:12.290907Z",
"updated_at": "2022-09-04T14:36:12.290930Z",
"structure_string": "Li10 Sb2 S2\n1.0\n4.816819 -0.000000 0.060234\n-2.408409 8.298648 -0.030117\n-0.266403 0.000000 6.146331\nLi Sb S\n10 2 2\ndirect\n0.179501 0.924169 0.090410 Li\n0.197796 0.381789 0.994515 Li\n0.364020 0.728039 0.749999 Li\n0.183993 0.381789 0.505484 Li\n0.255331 0.075831 0.590410 Li\n0.744669 0.924169 0.409589 Li\n0.816008 0.618212 0.494515 Li\n0.635981 0.271961 0.249999 Li\n0.802204 0.618212 0.005484 Li\n0.820500 0.075831 0.909589 Li\n0.332827 0.665657 0.249999 Sb\n0.667173 0.334344 0.749999 Sb\n0.074353 0.148707 0.250000 S\n0.925647 0.851293 0.749999 S\n",
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"elements": [
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"density_atomic": 0.05695201486371667,
"volume": 245.8209781252042,
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"formula_full": "Li10 Sb2 S2",
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"formula_anonymous": "ABC5",
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"spacegroup": 15
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{
"id": "jvasp-119560",
"created_at": "2022-09-04T14:38:50.268468Z",
"updated_at": "2022-09-04T14:38:50.268495Z",
"structure_string": "Sm4 Ga4 Pd4\n1.0\n4.508330 -0.000000 0.000000\n0.000000 7.071324 0.000000\n-0.000000 -0.000000 7.711077\nSm Ga Pd\n4 4 4\ndirect\n0.250000 0.017597 0.300331 Sm\n0.250000 0.517597 0.199669 Sm\n0.750000 0.982402 0.699669 Sm\n0.750000 0.482403 0.800332 Sm\n0.250000 0.677963 0.578519 Ga\n0.250000 0.177963 0.921482 Ga\n0.750000 0.322037 0.421482 Ga\n0.750000 0.822036 0.078519 Ga\n0.250000 0.285562 0.593459 Pd\n0.250000 0.785562 0.906542 Pd\n0.750000 0.714438 0.406542 Pd\n0.750000 0.214438 0.093458 Pd\n",
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],
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"density": 8.82195403115859,
"density_atomic": 0.048814604128212626,
"volume": 245.82807162548605,
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"formula_full": "Sm4 Ga4 Pd4",
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"spacegroup": 62
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{
"id": "jvasp-109837",
"created_at": "2022-09-04T14:38:13.305153Z",
"updated_at": "2022-09-04T14:38:13.305177Z",
"structure_string": "Na2 Al1 Ag1 Cl6\n1.0\n6.089481 -0.000000 3.515763\n2.029827 5.741218 3.515763\n-0.000000 -0.000000 7.031527\nNa Al Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Ag\n0.766154 0.233846 0.233845 Cl\n0.233846 0.233846 0.766154 Cl\n0.233846 0.766154 0.766154 Cl\n0.233846 0.766154 0.233845 Cl\n0.766154 0.233846 0.766154 Cl\n0.766154 0.766154 0.233845 Cl\n",
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{
"id": "jvasp-105279",
"created_at": "2022-09-04T14:36:50.712209Z",
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"structure_string": "Y2 Ho6\n1.0\n7.141251 -0.000000 0.000000\n-3.570625 6.184505 0.000000\n-0.000000 -0.000000 5.566909\nY Ho\n2 6\ndirect\n0.333333 0.666667 0.750000 Y\n0.666666 0.333334 0.250000 Y\n0.165952 0.331904 0.250000 Ho\n0.668095 0.834049 0.250000 Ho\n0.165952 0.834049 0.250000 Ho\n0.834048 0.668096 0.750000 Ho\n0.331904 0.165952 0.750000 Ho\n0.834048 0.165952 0.750000 Ho\n",
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{
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"created_at": "2022-09-04T14:35:51.565477Z",
"updated_at": "2022-09-04T14:35:51.565503Z",
"structure_string": "Ba4 Nb1 In1\n1.0\n0.000000 4.972326 4.972326\n4.972326 0.000000 4.972326\n4.972326 4.972326 -0.000000\nBa Nb In\n4 1 1\ndirect\n0.125303 0.624899 0.624899 Ba\n0.624899 0.624899 0.624899 Ba\n0.624899 0.125303 0.624899 Ba\n0.624899 0.624899 0.125303 Ba\n0.000000 0.000000 0.000000 Nb\n0.250000 0.250000 0.250000 In\n",
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{
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"structure_string": "Zr2 Br6\n1.0\n3.374759 -5.845254 -0.000000\n3.374759 5.845254 0.000000\n-0.000000 0.000000 6.232535\nZr Br\n2 6\ndirect\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.000000 0.672191 0.750001 Br\n0.327809 0.000000 0.250000 Br\n0.000000 0.327809 0.250000 Br\n0.672191 0.000000 0.750001 Br\n0.327809 0.327809 0.750001 Br\n0.672191 0.672191 0.250000 Br\n",
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{
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"structure_string": "Dy2 Cu6 S6\n1.0\n5.968974 -0.003698 4.424984\n2.225878 5.538423 4.424984\n-0.005475 -0.003698 7.430282\nDy Cu S\n2 6 6\ndirect\n0.833513 0.833511 0.833511 Dy\n0.166488 0.166487 0.166487 Dy\n0.965287 0.622853 0.280085 Cu\n0.280086 0.965286 0.622853 Cu\n0.622855 0.280084 0.965286 Cu\n0.377146 0.719914 0.034713 Cu\n0.719915 0.034713 0.377146 Cu\n0.034714 0.377146 0.719914 Cu\n0.746194 0.418075 0.087455 S\n0.418076 0.087454 0.746194 S\n0.087456 0.746194 0.418075 S\n0.912545 0.253805 0.581924 S\n0.581925 0.912544 0.253805 S\n0.253807 0.581924 0.912544 S\n",
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]
}