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{
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{
"id": "mp-1175084",
"created_at": "2022-09-04T14:39:06.649240Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n1.430538 2.635787 0.000000\n-1.430538 2.635787 0.000000\n0.000000 1.475457 29.534099\nLi Mn Co O\n7 2 3 12\ndirect\n0.321646 0.321646 0.912261 Li\n0.011162 0.011162 0.751799 Li\n0.669574 0.669574 0.585132 Li\n0.330241 0.330241 0.415162 Li\n0.001471 0.001471 0.250950 Li\n0.667776 0.667776 0.085036 Li\n0.668055 0.668055 0.832502 Li\n0.996547 0.996547 0.001332 Mn\n0.000821 0.000821 0.500146 Mn\n0.335873 0.335873 0.665787 Co\n0.666419 0.666419 0.332903 Co\n0.333141 0.333141 0.167501 Co\n0.651640 0.651640 0.965047 O\n0.332843 0.332843 0.788814 O\n0.985514 0.985514 0.628867 O\n0.641905 0.641905 0.460873 O\n0.312671 0.312671 0.296001 O\n0.001386 0.001386 0.129814 O\n0.000470 0.000470 0.875928 O\n0.678145 0.678145 0.699816 O\n0.359200 0.359200 0.539238 O\n0.020077 0.020077 0.369766 O\n0.664023 0.664023 0.205109 O\n0.349400 0.349400 0.040218 O\n",
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{
"id": "mp-1246401",
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"structure_string": "Rb4 Ni4 N4\n1.0\n11.004463 0.000000 0.000000\n0.000000 3.475877 0.000000\n0.000000 0.000000 6.308517\nRb Ni N\n4 4 4\ndirect\n0.658625 0.250000 0.069215 Rb\n0.158625 0.250000 0.430785 Rb\n0.341375 0.750000 0.930785 Rb\n0.841375 0.750000 0.569215 Rb\n0.552193 0.250000 0.581807 Ni\n0.052193 0.250000 0.918193 Ni\n0.447807 0.750000 0.418193 Ni\n0.947807 0.750000 0.081807 Ni\n0.929379 0.250000 0.158186 N\n0.429379 0.250000 0.341814 N\n0.070621 0.750000 0.841814 N\n0.570621 0.750000 0.658186 N\n",
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"volume": 241.3017835973705,
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"formula_full": "Rb4 Ni4 N4",
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"spacegroup": 62
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{
"id": "mp-1204932",
"created_at": "2022-09-04T14:39:06.619507Z",
"structure_string": "Ca4 B12 O48\n1.0\n12.823947 0.000000 0.000000\n0.000000 8.589616 0.000000\n0.000000 5.772163 9.527063\nCa B O\n4 12 48\ndirect\n0.356874 0.140739 0.469994 Ca\n0.856874 0.859261 0.030006 Ca\n0.643126 0.859261 0.530006 Ca\n0.143126 0.140739 0.969994 Ca\n0.395187 0.793936 0.436847 B\n0.895187 0.206064 0.063153 B\n0.604813 0.206064 0.563153 B\n0.104813 0.793936 0.936847 B\n0.071508 0.009248 0.275886 B\n0.571508 0.990752 0.224114 B\n0.928492 0.990752 0.724114 B\n0.428492 0.009248 0.775886 B\n0.934095 0.215215 0.281529 B\n0.434095 0.784785 0.218471 B\n0.065905 0.784785 0.718471 B\n0.565905 0.215215 0.781529 B\n0.326213 0.876317 0.478104 O\n0.826213 0.123683 0.021896 O\n0.673787 0.123683 0.521896 O\n0.173787 0.876317 0.978104 O\n0.015076 0.824536 0.330527 O\n0.515076 0.175464 0.169473 O\n0.984924 0.175464 0.669473 O\n0.484924 0.824536 0.830527 O\n0.374357 0.757010 0.331090 O\n0.874357 0.242990 0.168910 O\n0.625643 0.242990 0.668910 O\n0.125643 0.757010 0.831090 O\n0.165497 0.341865 0.421626 O\n0.665497 0.658135 0.078374 O\n0.834503 0.658135 0.578374 O\n0.334503 0.341865 0.921626 O\n0.020563 0.102378 0.328828 O\n0.520563 0.897622 0.171172 O\n0.979437 0.897622 0.671172 O\n0.479437 0.102378 0.828828 O\n0.905869 0.300493 0.350395 O\n0.405869 0.699507 0.149605 O\n0.094131 0.699507 0.649605 O\n0.594131 0.300493 0.850395 O\n0.470911 0.178051 0.276095 O\n0.970911 0.821949 0.223905 O\n0.529089 0.821949 0.723905 O\n0.029089 0.178051 0.776095 O\n0.702789 0.577860 0.394428 O\n0.202789 0.422140 0.105572 O\n0.297211 0.422140 0.605572 O\n0.797211 0.577860 0.894428 O\n0.782549 0.611861 0.323564 O\n0.282549 0.388139 0.176436 O\n0.217451 0.388139 0.676436 O\n0.717451 0.611861 0.823564 O\n0.651971 0.951923 0.304757 O\n0.151971 0.048077 0.195243 O\n0.348029 0.048077 0.695243 O\n0.848029 0.951923 0.804757 O\n0.512803 0.246516 0.493306 O\n0.012803 0.753484 0.006694 O\n0.487197 0.753484 0.506694 O\n0.987197 0.246516 0.993306 O\n0.139605 0.502856 0.346912 O\n0.639605 0.497144 0.153088 O\n0.860395 0.497144 0.653088 O\n0.360395 0.502856 0.846912 O\n",
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"volume": 1049.4324778705327,
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"formula_full": "Ca4 B12 O48",
"formula_reduced": "Ca(BO4)3",
"formula_anonymous": "AB3C12",
"energy": -411.31438136,
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"updated_at": "2021-11-28T01:34:31.239000Z",
"spacegroup": 14
},
{
"id": "mp-19051",
"created_at": "2022-09-04T14:39:06.645672Z",
"structure_string": "La2 Co2 O6\n1.0\n-0.009589 -0.032776 5.449068\n4.814321 -0.014134 2.631792\n1.568511 4.564393 2.611702\nLa Co O\n2 2 6\ndirect\n0.250470 0.749472 0.749743 La\n0.749530 0.250529 0.250256 La\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.310953 0.254078 0.679178 O\n0.689047 0.745922 0.320823 O\n0.183157 0.822044 0.252920 O\n0.816843 0.177956 0.747081 O\n0.744670 0.682475 0.822495 O\n0.255328 0.317525 0.177505 O\n",
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"density": 6.789355866819111,
"density_atomic": 0.0831577003592321,
"volume": 120.25344564365179,
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"formula_full": "La2 Co2 O6",
"formula_reduced": "LaCoO3",
"formula_anonymous": "ABC3",
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"updated_at": "2021-11-28T01:34:42.612000Z",
"spacegroup": 167
},
{
"id": "mp-1211506",
"created_at": "2022-09-04T14:39:06.694789Z",
"structure_string": "K4 Tm8 F28\n1.0\n3.970608 7.138718 0.000000\n-3.970608 7.138718 0.000000\n0.000000 6.827246 9.701522\nK Tm F\n4 8 28\ndirect\n0.761586 0.761586 0.480763 K\n0.267878 0.267878 0.154140 K\n0.732122 0.732122 0.845860 K\n0.238414 0.238414 0.519237 K\n0.240776 0.759224 0.500000 Tm\n0.759224 0.240776 0.500000 Tm\n0.741743 0.741743 0.179381 Tm\n0.258257 0.258257 0.820619 Tm\n0.264331 0.739447 0.819765 Tm\n0.739447 0.264331 0.819765 Tm\n0.260553 0.735669 0.180235 Tm\n0.735669 0.260553 0.180235 Tm\n0.378998 0.856876 0.263147 F\n0.856876 0.378998 0.263147 F\n0.366409 0.831402 0.586205 F\n0.831402 0.366409 0.586205 F\n0.994830 0.994830 0.229774 F\n0.603444 0.603444 0.753014 F\n0.894801 0.894801 0.575891 F\n0.004235 0.672975 0.000951 F\n0.672975 0.004235 0.000951 F\n0.396556 0.396556 0.246986 F\n0.995765 0.327025 0.999049 F\n0.327025 0.995765 0.999049 F\n0.143124 0.621002 0.736853 F\n0.621002 0.143124 0.736853 F\n0.319996 0.680004 0.000000 F\n0.680004 0.319996 0.000000 F\n0.005170 0.005170 0.770226 F\n0.603786 0.603786 0.412486 F\n0.999805 0.655218 0.238707 F\n0.655218 0.999805 0.238707 F\n0.000195 0.344782 0.761293 F\n0.344782 0.000195 0.761293 F\n0.387374 0.387374 0.882809 F\n0.105199 0.105199 0.424109 F\n0.396214 0.396214 0.587514 F\n0.168598 0.633591 0.413795 F\n0.633591 0.168598 0.413795 F\n0.612626 0.612626 0.117191 F\n",
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"volume": 549.9802678651904,
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"formula_full": "K4 Tm8 F28",
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{
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"created_at": "2022-09-04T14:39:06.719128Z",
"structure_string": "Y1 Ho1 C4\n1.0\n2.590801 -3.100822 0.000000\n2.590801 3.100822 0.000000\n0.000000 0.000000 5.181218\nY Ho C\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Ho\n0.604837 0.395163 0.000000 C\n0.105169 0.894831 0.500000 C\n0.894831 0.105169 0.500000 C\n0.395163 0.604837 0.000000 C\n",
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{
"id": "mp-759502",
"created_at": "2022-09-04T14:39:06.815519Z",
"structure_string": "Li2 V2 Cr2 P4 H4 O20\n1.0\n5.198991 0.000000 0.000000\n-1.966875 7.097018 0.000000\n-1.724824 -2.875271 9.630246\nLi V Cr P H O\n2 2 2 4 4 20\ndirect\n0.351937 0.128903 0.279266 Li\n0.648063 0.871097 0.720734 Li\n0.744578 0.743201 0.248848 V\n0.255422 0.256799 0.751152 V\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.613764 0.286047 0.063029 P\n0.888858 0.207513 0.437384 P\n0.111142 0.792487 0.562616 P\n0.386236 0.713953 0.936971 P\n0.148754 0.794992 0.142304 H\n0.329991 0.682738 0.345508 H\n0.670009 0.317262 0.654492 H\n0.851246 0.205008 0.857696 H\n0.790669 0.157429 0.088018 O\n0.344771 0.219164 0.108408 O\n0.439468 0.715962 0.093434 O\n0.777369 0.502432 0.152984 O\n0.709536 0.998939 0.342052 O\n0.034842 0.881296 0.162520 O\n0.163832 0.269306 0.396920 O\n0.481010 0.625189 0.343777 O\n0.711997 0.339547 0.411728 O\n0.063052 0.789359 0.406143 O\n0.936948 0.210641 0.593857 O\n0.288003 0.660453 0.588272 O\n0.518990 0.374811 0.656223 O\n0.836168 0.730694 0.603080 O\n0.965158 0.118704 0.837480 O\n0.290464 0.001061 0.657948 O\n0.222631 0.497568 0.847016 O\n0.560532 0.284038 0.906566 O\n0.655229 0.780836 0.891592 O\n0.209331 0.842571 0.911982 O\n",
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"formula_full": "Li2 V2 Cr2 P4 H4 O20",
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"spacegroup": 2
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{
"id": "mp-1222030",
"created_at": "2022-09-04T14:39:06.828826Z",
"structure_string": "Mn4 Fe8 P8 O44\n1.0\n7.920902 0.000000 0.000000\n0.000000 9.546198 0.000000\n0.000000 0.000000 9.673987\nMn Fe P O\n4 8 8 44\ndirect\n0.359977 0.383333 0.792417 Mn\n0.859977 0.616667 0.207583 Mn\n0.859977 0.116667 0.292417 Mn\n0.359977 0.883333 0.707583 Mn\n0.998810 0.502081 0.751235 Fe\n0.498810 0.997919 0.251235 Fe\n0.498810 0.497919 0.248765 Fe\n0.998810 0.002081 0.748765 Fe\n0.137492 0.879884 0.208131 Fe\n0.637492 0.120116 0.791869 Fe\n0.637492 0.620116 0.708131 Fe\n0.137492 0.379884 0.291869 Fe\n0.715439 0.392416 0.961752 P\n0.784713 0.892806 0.043079 P\n0.215439 0.607584 0.038248 P\n0.284713 0.107194 0.956921 P\n0.284713 0.607194 0.543079 P\n0.215439 0.107584 0.461752 P\n0.784713 0.392806 0.456921 P\n0.715439 0.892416 0.538248 P\n0.582569 0.470755 0.866578 O\n0.912778 0.975097 0.140279 O\n0.082569 0.529245 0.133422 O\n0.412778 0.024903 0.859721 O\n0.412778 0.524903 0.640279 O\n0.082569 0.029245 0.366578 O\n0.912778 0.475097 0.359721 O\n0.582569 0.970755 0.633422 O\n0.674777 0.234285 0.962055 O\n0.831398 0.734462 0.049967 O\n0.174777 0.765715 0.037945 O\n0.331398 0.265538 0.950033 O\n0.331398 0.765538 0.549967 O\n0.174777 0.265715 0.462055 O\n0.831398 0.234462 0.450033 O\n0.674777 0.734285 0.537945 O\n0.857299 0.149492 0.720606 O\n0.650363 0.654553 0.275205 O\n0.357299 0.850508 0.279394 O\n0.150363 0.345447 0.724795 O\n0.150363 0.845447 0.775205 O\n0.357299 0.350508 0.220606 O\n0.650363 0.154553 0.224795 O\n0.857299 0.649492 0.779394 O\n0.489319 0.255891 0.704922 O\n0.989319 0.744109 0.295078 O\n0.489319 0.755891 0.795078 O\n0.989319 0.244109 0.204922 O\n0.709405 0.453614 0.111307 O\n0.796828 0.943176 0.891628 O\n0.209405 0.546386 0.888693 O\n0.296828 0.056824 0.108372 O\n0.296828 0.556824 0.391628 O\n0.209405 0.046386 0.611307 O\n0.796828 0.443176 0.608372 O\n0.709405 0.953614 0.388693 O\n0.895503 0.411942 0.904468 O\n0.603330 0.913622 0.094439 O\n0.395503 0.588058 0.095532 O\n0.103330 0.086378 0.905561 O\n0.103330 0.586378 0.594439 O\n0.395503 0.088058 0.404468 O\n0.603330 0.413622 0.405561 O\n0.895503 0.911942 0.595532 O\n",
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{
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