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"structure_string": "Li7 Co1 O1 F7\n1.0\n2.866925 0.000000 0.000000\n0.000000 5.805572 0.000000\n0.000000 0.000000 8.207959\nLi Co O F\n7 1 1 7\ndirect\n0.000000 0.491714 0.740080 Li\n0.000000 0.012594 0.752224 Li\n0.499999 0.233728 0.000000 Li\n0.000000 0.012594 0.247776 Li\n0.000000 0.491714 0.259920 Li\n0.499999 0.246940 0.500000 Li\n0.499999 0.752605 0.500000 Li\n0.499999 0.776249 0.000000 Co\n0.000000 0.001391 0.000000 O\n0.499999 0.742070 0.740412 F\n0.499999 0.253534 0.742502 F\n0.000000 0.491085 0.000000 F\n0.499999 0.742070 0.259588 F\n0.499999 0.253534 0.257498 F\n0.000000 0.999878 0.500000 F\n0.000000 0.498298 0.500000 F\n",
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"structure_string": "Al2 Te2 I14\n1.0\n0.000000 7.769011 -0.242164\n7.404501 0.000000 0.000000\n0.000000 -3.718428 -13.941911\nAl Te I\n2 2 14\ndirect\n0.694303 0.998598 0.349867 Al\n0.694303 0.001402 0.849867 Al\n0.002646 0.598360 0.492573 Te\n0.002646 0.401640 0.992573 Te\n0.469732 0.821527 0.224844 I\n0.469731 0.178473 0.724844 I\n0.651885 0.339871 0.327672 I\n0.651884 0.660128 0.827672 I\n0.666221 0.883161 0.513625 I\n0.666221 0.116839 0.013625 I\n0.008904 0.067768 0.827557 I\n0.950791 0.634565 0.134027 I\n0.217275 0.844849 0.612439 I\n0.217275 0.155151 0.112439 I\n0.276142 0.423031 0.432874 I\n0.950790 0.365434 0.634027 I\n0.276142 0.576969 0.932874 I\n0.008904 0.932232 0.327557 I\n",
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"structure_string": "Pr4 Pt4 F28\n1.0\n0.000000 9.193075 0.032712\n5.533654 0.000000 0.000000\n0.000000 -5.840374 -10.917677\nPr Pt F\n4 4 28\ndirect\n0.811037 0.762850 0.237230 Pr\n0.188964 0.262850 0.262770 Pr\n0.188964 0.237150 0.762771 Pr\n0.811037 0.737149 0.737230 Pr\n0.272871 0.756342 0.041701 Pt\n0.727130 0.256343 0.458300 Pt\n0.727130 0.243657 0.958300 Pt\n0.272872 0.743657 0.541701 Pt\n0.030347 0.747846 0.452541 F\n0.720784 0.954544 0.373096 F\n0.279217 0.454544 0.126904 F\n0.279217 0.045456 0.626904 F\n0.720785 0.545455 0.873096 F\n0.739092 0.429503 0.324702 F\n0.260909 0.570497 0.675298 F\n0.260909 0.929502 0.175298 F\n0.969654 0.247847 0.047460 F\n0.961441 0.384857 0.771815 F\n0.038561 0.884857 0.728186 F\n0.739092 0.070497 0.824702 F\n0.969654 0.252153 0.547460 F\n0.485489 0.275128 0.365505 F\n0.514513 0.724871 0.634495 F\n0.485489 0.224871 0.865505 F\n0.038560 0.615142 0.228186 F\n0.514512 0.775128 0.134495 F\n0.273005 0.063428 0.962188 F\n0.726997 0.563428 0.537812 F\n0.726997 0.936571 0.037812 F\n0.273004 0.436571 0.462188 F\n0.708336 0.077973 0.588195 F\n0.291666 0.577972 0.911806 F\n0.291666 0.922026 0.411805 F\n0.708335 0.422027 0.088195 F\n0.030347 0.752152 0.952541 F\n0.961441 0.115142 0.271815 F\n",
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"elements": [
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],
"chemical_system": "F-Pr-Pt",
"density": 5.6193783986828185,
"density_atomic": 0.06494218999178815,
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"volume_molar": 9.273079273676315,
"formula_full": "Pr4 Pt4 F28",
"formula_reduced": "PrPtF7",
"formula_anonymous": "ABC7",
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"spacegroup": 14
},
{
"id": "jvasp-5257",
"created_at": "2022-09-04T14:37:39.983340Z",
"updated_at": "2022-09-04T14:37:39.983368Z",
"structure_string": "Ga2 Se2 Br14\n1.0\n0.000000 6.553683 -0.139394\n6.507554 0.000000 0.000000\n0.000000 -3.187617 -14.112550\nGa Se Br\n2 2 14\ndirect\n0.333988 -0.004972 0.499093 Ga\n0.333988 0.004972 0.999093 Ga\n0.052081 0.581140 0.337534 Se\n0.052081 0.418859 0.837534 Se\n0.778305 0.628602 0.870560 Br\n0.778306 0.371398 0.370560 Br\n0.366667 0.353435 0.512125 Br\n0.366667 0.646565 0.012125 Br\n0.559614 0.840182 0.628444 Br\n0.559614 0.159817 0.128444 Br\n0.423529 0.125100 0.857239 Br\n0.850275 0.812126 0.226863 Br\n-0.007188 0.877531 0.498920 Br\n-0.007188 0.122469 -0.001080 Br\n0.195474 0.371928 0.232350 Br\n0.195474 0.628071 0.732350 Br\n0.423530 0.874899 0.357239 Br\n0.850275 0.187874 0.726863 Br\n",
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],
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"density_atomic": 0.029763388066711884,
"volume": 604.7698588498952,
"volume_molar": 20.23338454110778,
"formula_full": "Ga2 Se2 Br14",
"formula_reduced": "GaSeBr7",
"formula_anonymous": "ABC7",
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"spacegroup": 7
},
{
"id": "jvasp-58361",
"created_at": "2022-09-04T14:37:18.432026Z",
"updated_at": "2022-09-04T14:37:18.432040Z",
"structure_string": "Sm2 Zr2 F14\n1.0\n0.000000 6.177904 -0.036606\n5.785094 0.000000 0.000000\n0.000000 -1.823029 -8.159884\nSm Zr F\n2 2 14\ndirect\n0.843439 0.236204 0.813758 Sm\n0.156560 0.736204 0.186242 Sm\n0.688902 0.246991 0.275416 Zr\n0.311097 0.746991 0.724584 Zr\n0.954422 0.036710 0.285459 F\n0.045577 0.536709 0.714541 F\n0.124079 0.038790 0.717908 F\n0.875920 0.538789 0.282092 F\n0.540144 0.490095 0.738887 F\n0.459855 -0.009904 0.261113 F\n0.250572 0.736067 0.477919 F\n0.365015 0.746358 0.972978 F\n0.565663 0.967650 0.724684 F\n0.434336 0.467650 0.275316 F\n0.944143 0.915592 0.970641 F\n0.055856 0.415592 0.029359 F\n0.749427 0.236067 0.522081 F\n0.634984 0.246358 0.027022 F\n",
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],
"chemical_system": "F-Sm-Zr",
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"formula_full": "Sm2 Zr2 F14",
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"spacegroup": 4
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]
}