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{
"id": "mp-1213556",
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{
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"created_at": "2022-09-04T14:39:57.824948Z",
"structure_string": "Li8 Ti6 V8 Cr4 O36\n1.0\n2.952113 0.000000 0.000000\n0.000000 9.080656 0.000000\n0.000000 0.000000 25.588618\nLi Ti V Cr O\n8 6 8 4 36\ndirect\n0.000000 0.946808 0.988364 Li\n0.000000 0.919865 0.208418 Li\n0.000000 0.080135 0.708418 Li\n0.000000 0.053192 0.488364 Li\n0.000000 0.443438 0.506741 Li\n0.000000 0.429986 0.303200 Li\n0.000000 0.570014 0.803200 Li\n0.000000 0.556562 0.006741 Li\n0.000000 0.745975 0.104536 Ti\n0.000000 0.254025 0.604536 Ti\n0.000000 0.235587 0.393908 Ti\n0.500000 0.405704 0.696071 Ti\n0.500000 0.594296 0.196071 Ti\n0.000000 0.764413 0.893908 Ti\n0.000000 0.772780 0.308221 V\n0.500000 0.897194 0.586354 V\n0.500000 0.102806 0.086354 V\n0.000000 0.227220 0.808221 V\n0.000000 0.253253 0.194282 V\n0.500000 0.399939 0.913036 V\n0.500000 0.600061 0.413036 V\n0.000000 0.746747 0.694282 V\n0.000000 0.749437 0.499738 Cr\n0.500000 0.900832 0.804611 Cr\n0.500000 0.099168 0.304611 Cr\n0.000000 0.250563 0.999738 Cr\n0.000000 0.738802 0.422127 O\n0.000000 0.759892 0.577819 O\n0.500000 0.812135 0.938847 O\n0.500000 0.795006 0.159499 O\n0.500000 0.856954 0.659902 O\n0.000000 0.853641 0.755782 O\n0.500000 0.900090 0.506901 O\n0.500000 0.892148 0.277316 O\n0.000000 0.944747 0.855114 O\n0.000000 0.952971 0.084196 O\n0.000000 0.047029 0.584196 O\n0.000000 0.055253 0.355114 O\n0.500000 0.107852 0.777316 O\n0.500000 0.099910 0.006901 O\n0.000000 0.146359 0.255782 O\n0.500000 0.143046 0.159902 O\n0.500000 0.204994 0.659499 O\n0.500000 0.187865 0.438847 O\n0.000000 0.240108 0.077819 O\n0.000000 0.261198 0.922127 O\n0.500000 0.310072 0.561272 O\n0.500000 0.299490 0.340558 O\n0.500000 0.349080 0.839699 O\n0.000000 0.355947 0.744082 O\n0.500000 0.401706 0.992145 O\n0.500000 0.392360 0.216031 O\n0.000000 0.439459 0.646564 O\n0.000000 0.453005 0.414688 O\n0.000000 0.546995 0.914688 O\n0.000000 0.560541 0.146564 O\n0.500000 0.607640 0.716031 O\n0.500000 0.598294 0.492145 O\n0.000000 0.644053 0.244082 O\n0.500000 0.650920 0.339699 O\n0.500000 0.700510 0.840558 O\n0.500000 0.689928 0.061272 O\n",
"nsites": 62,
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"elements": [
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"V",
"Cr",
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],
"chemical_system": "Cr-Li-O-Ti-V",
"density": 3.713992856974239,
"density_atomic": 0.09038464519618551,
"volume": 685.9572205591462,
"volume_molar": 6.662791834750878,
"formula_full": "Li8 Ti6 V8 Cr4 O36",
"formula_reduced": "Li4Ti3V4Cr2O18",
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"energy": -518.79112556,
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"spacegroup": 26
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{
"id": "mp-36465",
"created_at": "2022-09-04T14:39:57.840312Z",
"structure_string": "Al8 Fe4 O16\n1.0\n-2.852646 4.941060 0.000144\n2.937778 1.696312 4.797490\n5.845423 3.374808 -4.772728\nAl Fe O\n8 4 16\ndirect\n0.999982 0.249995 0.135492 Al\n0.500007 0.749999 0.635495 Al\n0.999993 0.750000 0.864505 Al\n0.500018 0.250004 0.364508 Al\n0.999980 0.500001 0.500008 Al\n0.500020 0.999998 0.999992 Al\n0.999980 0.999996 0.500003 Al\n0.500020 0.500003 0.999996 Al\n0.749999 0.250011 0.750000 Fe\n0.750002 0.749994 0.250000 Fe\n0.249998 0.750011 0.250008 Fe\n0.250002 0.249995 0.749999 Fe\n0.999978 0.492091 0.268338 O\n0.500017 0.992080 0.768332 O\n0.999996 0.007922 0.268340 O\n0.500034 0.507917 0.768331 O\n0.999966 0.992082 0.731668 O\n0.500004 0.492077 0.231659 O\n0.999983 0.507919 0.731667 O\n0.500022 0.007908 0.231661 O\n0.235458 0.749999 0.507523 O\n0.735430 0.249998 0.007565 O\n0.764569 0.750001 0.507556 O\n0.264525 0.250001 0.007511 O\n0.235475 0.249998 0.492488 O\n0.735430 0.749997 0.992443 O\n0.764570 0.250001 0.492435 O\n0.264542 0.750000 0.992477 O\n",
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"density": 4.165793019078194,
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"volume": 277.12477856264945,
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"formula_full": "Al8 Fe4 O16",
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"updated_at": "2021-11-28T01:34:52.650000Z",
"spacegroup": 74
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{
"id": "mp-1390563",
"created_at": "2022-09-04T14:39:57.850506Z",
"structure_string": "W1 F5\n1.0\n-1.870257 2.209382 4.725060\n1.870257 -2.209382 4.725060\n1.870257 2.209382 -4.725060\nW F\n1 5\ndirect\n0.000000 0.000000 0.000000 W\n0.764882 0.500000 0.264882 F\n0.235118 0.500000 0.735118 F\n0.202221 0.202221 0.000000 F\n0.797779 0.797779 0.000000 F\n0.500000 0.000000 0.500000 F\n",
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"elements": [
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"density": 5.92860228269362,
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"spacegroup": 71
},
{
"id": "mp-1077243",
"created_at": "2022-09-04T14:39:57.852142Z",
"structure_string": "K4 Zr2\n1.0\n3.282188 -5.684916 0.000000\n3.282188 5.684916 0.000000\n0.000000 0.000000 7.865048\nK Zr\n4 2\ndirect\n0.666667 0.333333 0.250000 K\n0.333333 0.666667 0.750000 K\n0.000000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.333333 0.666667 0.250000 Zr\n0.666667 0.333333 0.750000 Zr\n",
"nsites": 6,
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"formula_full": "K4 Zr2",
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{
"id": "mp-1185894",
"created_at": "2022-09-04T14:39:57.864767Z",
"structure_string": "Mg1 Mn1 Ir2\n1.0\n0.000000 3.054730 3.054730\n3.054730 0.000000 3.054730\n3.054730 3.054730 0.000000\nMg Mn Ir\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
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{
"id": "mp-1046171",
"created_at": "2022-09-04T14:39:57.872227Z",
"structure_string": "Ca8 Ta8 Cr4 O32\n1.0\n5.431524 -0.114412 -0.083394\n-0.229804 6.313071 8.253411\n0.228925 -12.661733 3.406768\nCa Ta Cr O\n8 8 4 32\ndirect\n0.755200 0.583901 0.563494 Ca\n0.755163 0.583866 0.063511 Ca\n0.247960 0.417126 0.435870 Ca\n0.247977 0.417055 0.935857 Ca\n0.745906 0.423024 0.272096 Ca\n0.745912 0.422967 0.772058 Ca\n0.257151 0.578066 0.727560 Ca\n0.257166 0.578114 0.227619 Ca\n0.750400 0.231226 0.477191 Ta\n0.750430 0.231228 0.977230 Ta\n0.253571 0.769797 0.522671 Ta\n0.253347 0.769697 0.022595 Ta\n0.761759 0.770097 0.879590 Ta\n0.761761 0.770123 0.379577 Ta\n0.241946 0.230573 0.119922 Ta\n0.242032 0.230600 0.619870 Ta\n0.745492 0.004689 0.177872 Cr\n0.260399 0.995502 0.822322 Cr\n0.746025 0.004656 0.677776 Cr\n0.259878 0.995672 0.321830 Cr\n0.087281 0.147788 0.461071 O\n0.087328 0.147783 0.961164 O\n0.916704 0.852921 0.538502 O\n0.916528 0.852929 0.038557 O\n0.435029 0.854291 0.921559 O\n0.435109 0.854285 0.421589 O\n0.568643 0.146617 0.078135 O\n0.568716 0.146645 0.578105 O\n0.596989 0.111766 0.343324 O\n0.597293 0.111678 0.843351 O\n0.408207 0.888483 0.656326 O\n0.407920 0.888493 0.156294 O\n0.949098 0.873834 0.815313 O\n0.948920 0.873886 0.315247 O\n0.055991 0.126527 0.184403 O\n0.056144 0.126590 0.684355 O\n0.485304 0.369240 0.553573 O\n0.485315 0.369229 0.053591 O\n0.517645 0.631416 0.445724 O\n0.517653 0.631434 0.945735 O\n0.020796 0.633813 0.381650 O\n0.020864 0.633781 0.881634 O\n0.981932 0.366710 0.617917 O\n0.981936 0.366706 0.117949 O\n0.337910 0.374404 0.258642 O\n0.337921 0.374398 0.758617 O\n0.665266 0.626687 0.740812 O\n0.665252 0.626695 0.240806 O\n0.161048 0.629474 0.582442 O\n0.161058 0.629460 0.082438 O\n0.842148 0.371353 0.417111 O\n0.842165 0.371338 0.917112 O\n",
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"formula_full": "Ca8 Ta8 Cr4 O32",
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{
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