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{
"id": "mp-775324",
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"structure_string": "Li11 Co12 P12 O48\n1.0\n7.602639 0.000000 0.000000\n1.266845 11.163660 0.000000\n2.920630 3.696125 10.258733\nLi Co P O\n11 12 12 48\ndirect\n0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.500000 Li\n0.333015 0.833363 0.500222 Li\n0.666950 0.666834 0.500061 Li\n0.333050 0.333166 0.499939 Li\n0.666985 0.166637 0.499778 Li\n0.666464 0.167950 0.999708 Li\n0.000000 0.000000 0.000000 Li\n0.326780 0.336528 0.999222 Li\n0.333536 0.832050 0.000292 Li\n0.673220 0.663472 0.000778 Li\n0.078004 0.332261 0.781925 Co\n0.747562 0.996592 0.779773 Co\n0.412615 0.661796 0.782983 Co\n0.265888 0.016327 0.721201 Co\n0.600660 0.349872 0.721351 Co\n0.933310 0.679345 0.726077 Co\n0.066690 0.320655 0.273923 Co\n0.734112 0.983673 0.278799 Co\n0.399340 0.650128 0.278649 Co\n0.921996 0.667739 0.218075 Co\n0.252438 0.003408 0.220227 Co\n0.587385 0.338204 0.217017 Co\n0.726443 0.474374 0.905358 P\n0.391909 0.142035 0.904776 P\n0.057072 0.808901 0.903928 P\n0.995530 0.245316 0.594586 P\n0.661821 0.911219 0.595420 P\n0.328734 0.578374 0.595373 P\n0.671266 0.421626 0.404627 P\n0.338179 0.088781 0.404580 P\n0.004470 0.754684 0.405414 P\n0.608091 0.857965 0.095224 P\n0.942928 0.191099 0.096072 P\n0.273557 0.525626 0.094642 P\n0.289655 0.532406 0.953252 O\n0.613590 0.863979 0.954802 O\n0.948481 0.197235 0.954998 O\n0.947743 0.707536 0.897404 O\n0.618661 0.368088 0.900906 O\n0.285532 0.034961 0.902147 O\n0.323802 0.280204 0.832325 O\n0.599173 0.143489 0.832550 O\n0.265996 0.809316 0.833298 O\n0.658501 0.614171 0.833313 O\n0.993406 0.949798 0.832777 O\n0.929283 0.475869 0.827290 O\n0.154539 0.198862 0.667253 O\n0.488092 0.531335 0.667995 O\n0.821996 0.864834 0.666168 O\n0.215428 0.669930 0.666875 O\n0.546522 0.002240 0.667225 O\n0.880228 0.335814 0.666662 O\n0.886287 0.136621 0.597793 O\n0.552504 0.802600 0.598993 O\n0.219631 0.470471 0.597952 O\n0.583090 0.334203 0.545149 O\n0.917245 0.667333 0.545826 O\n0.251658 0.000589 0.545144 O\n0.748342 0.999411 0.454856 O\n0.416910 0.665797 0.454851 O\n0.082755 0.332667 0.454174 O\n0.447496 0.197400 0.401007 O\n0.113713 0.863379 0.402207 O\n0.780369 0.529529 0.402048 O\n0.845461 0.801138 0.332747 O\n0.511908 0.468665 0.332005 O\n0.119772 0.664186 0.333338 O\n0.453478 0.997760 0.332775 O\n0.178004 0.135166 0.333832 O\n0.784572 0.330070 0.333125 O\n0.341499 0.385829 0.166687 O\n0.070717 0.524131 0.172710 O\n0.676198 0.719796 0.167675 O\n0.400827 0.856511 0.167450 O\n0.006594 0.050202 0.167223 O\n0.734004 0.190684 0.166702 O\n0.052257 0.292464 0.102596 O\n0.714468 0.965039 0.097853 O\n0.381339 0.631912 0.099094 O\n0.386410 0.136021 0.045198 O\n0.710345 0.467594 0.046748 O\n0.051519 0.802765 0.045002 O\n",
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"elements": [
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],
"chemical_system": "Co-Li-O-P",
"density": 3.667837904114983,
"density_atomic": 0.09532644458112956,
"volume": 870.6922865392416,
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"formula_full": "Li11 Co12 P12 O48",
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"spacegroup": 2
},
{
"id": "mp-768579",
"created_at": "2022-09-04T14:39:09.837465Z",
"structure_string": "Na4 Mn2 B2 P2 O14\n1.0\n6.395467 0.000000 0.000000\n0.000000 5.335801 0.000000\n0.000000 0.347862 9.096092\nNa Mn B P O\n4 2 2 2 14\ndirect\n0.995820 0.762334 0.774724 Na\n0.504180 0.762334 0.774724 Na\n0.495820 0.237666 0.225276 Na\n0.004180 0.237666 0.225276 Na\n0.250000 0.220001 0.655410 Mn\n0.750000 0.779999 0.344590 Mn\n0.250000 0.272058 0.918564 B\n0.750000 0.727942 0.081436 B\n0.750000 0.280433 0.567349 P\n0.250000 0.719567 0.432651 P\n0.750000 0.696875 0.939499 O\n0.250000 0.044046 0.845697 O\n0.250000 0.463248 0.805288 O\n0.941831 0.208425 0.664972 O\n0.558169 0.208425 0.664972 O\n0.250000 0.867534 0.574897 O\n0.750000 0.568567 0.530643 O\n0.250000 0.431433 0.469357 O\n0.750000 0.132466 0.425103 O\n0.441831 0.791575 0.335028 O\n0.058169 0.791575 0.335028 O\n0.750000 0.536752 0.194712 O\n0.750000 0.955954 0.154303 O\n0.250000 0.303125 0.060501 O\n",
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"formula_full": "Na4 Mn2 B2 P2 O14",
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{
"id": "mp-779739",
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"structure_string": "Hf16 N16 O8\n1.0\n8.709683 0.000000 0.000000\n-2.895093 8.225433 0.000000\n-2.892260 -4.085384 7.146455\nHf N O\n16 16 8\ndirect\n0.482709 0.991296 0.989692 Hf\n0.723418 0.973671 0.753293 Hf\n0.754892 0.716388 0.966950 Hf\n0.249545 0.784961 0.534031 Hf\n0.966622 0.258778 0.217156 Hf\n0.458572 0.234092 0.700986 Hf\n0.514230 0.500734 0.502255 Hf\n0.994581 0.003846 0.490297 Hf\n0.786624 0.542398 0.250980 Hf\n0.012060 0.501510 0.001594 Hf\n0.205171 0.469713 0.747946 Hf\n0.538190 0.751038 0.282349 Hf\n0.031388 0.749729 0.793324 Hf\n0.252229 0.287445 0.037482 Hf\n0.749083 0.209083 0.466535 Hf\n0.289323 0.030708 0.248495 Hf\n0.969377 0.225752 0.960209 N\n0.518418 0.049344 0.775330 N\n0.042566 0.534091 0.275550 N\n0.224902 0.987672 0.457019 N\n0.771772 0.009226 0.545571 N\n0.539059 0.486830 0.267272 N\n0.273435 0.726492 0.759056 N\n0.764847 0.773220 0.227741 N\n0.951356 0.464472 0.728332 N\n0.260856 0.036751 0.988179 N\n0.011992 0.237819 0.462939 N\n0.273736 0.544369 0.032464 N\n0.768450 0.738779 0.726346 N\n0.488827 0.954616 0.224908 N\n0.544021 0.274254 0.511858 N\n0.030910 0.772112 0.048117 N\n0.448629 0.721984 0.485358 O\n0.229823 0.270075 0.277431 O\n0.721255 0.455744 0.966855 O\n0.985999 0.760497 0.534498 O\n0.738880 0.964641 0.016365 O\n0.239257 0.228791 0.773182 O\n0.466499 0.507754 0.741255 O\n0.726496 0.269323 0.230804 O\n",
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"formula_full": "Hf16 N16 O8",
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{
"id": "mp-769809",
"created_at": "2022-09-04T14:39:09.743449Z",
"structure_string": "Gd6 Ta2 O14\n1.0\n3.784817 -5.344433 0.000000\n3.784818 5.344433 0.000000\n0.000000 0.000000 7.589869\nGd Ta O\n6 2 14\ndirect\n0.466161 0.000289 0.252649 Gd\n0.999711 0.533839 0.247351 Gd\n0.480919 0.480919 0.000000 Gd\n0.519081 0.519081 0.500000 Gd\n0.533839 0.999711 0.752649 Gd\n0.000289 0.466161 0.747351 Gd\n0.001449 0.001449 0.500000 Ta\n0.998551 0.998551 0.000000 Ta\n0.937283 0.062717 0.750000 O\n0.637534 0.362466 0.750000 O\n0.312549 0.060820 0.535609 O\n0.939180 0.687451 0.964391 O\n0.628686 0.371314 0.250000 O\n0.922187 0.677088 0.528311 O\n0.322912 0.077813 0.971689 O\n0.077813 0.322912 0.028311 O\n0.677088 0.922187 0.471689 O\n0.371314 0.628686 0.750000 O\n0.687451 0.939180 0.035609 O\n0.060820 0.312549 0.464391 O\n0.362466 0.637534 0.250000 O\n0.062717 0.937283 0.250000 O\n",
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],
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"density": 8.270956527781504,
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"volume": 307.05124016960946,
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"formula_full": "Gd6 Ta2 O14",
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{
"id": "mp-571341",
"created_at": "2022-09-04T14:39:09.751100Z",
"structure_string": "In4 Hg24 As16 Cl28\n1.0\n12.441442 0.000000 0.000000\n0.000000 12.441442 0.000000\n0.000000 0.000000 12.441442\nIn Hg As Cl\n4 24 16 28\ndirect\n0.000000 0.000000 0.500000 In\n0.500000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 In\n0.000000 0.500000 0.000000 In\n0.698706 0.953616 0.313438 Hg\n0.198706 0.546384 0.686562 Hg\n0.813438 0.698706 0.546384 Hg\n0.546384 0.813438 0.698706 Hg\n0.698706 0.546384 0.813438 Hg\n0.453616 0.313438 0.801294 Hg\n0.546384 0.686562 0.198706 Hg\n0.686562 0.198706 0.546384 Hg\n0.046384 0.813438 0.801294 Hg\n0.301294 0.453616 0.186562 Hg\n0.801294 0.453616 0.313438 Hg\n0.301294 0.046384 0.686562 Hg\n0.953616 0.313438 0.698706 Hg\n0.186562 0.198706 0.953616 Hg\n0.813438 0.801294 0.046384 Hg\n0.046384 0.686562 0.301294 Hg\n0.313438 0.698706 0.953616 Hg\n0.186562 0.301294 0.453616 Hg\n0.801294 0.046384 0.813438 Hg\n0.453616 0.186562 0.301294 Hg\n0.198706 0.953616 0.186562 Hg\n0.686562 0.301294 0.046384 Hg\n0.313438 0.801294 0.453616 Hg\n0.953616 0.186562 0.198706 Hg\n0.733600 0.733600 0.733600 As\n0.651093 0.151093 0.348907 As\n0.266400 0.266400 0.266400 As\n0.766400 0.233600 0.733600 As\n0.848907 0.848907 0.848907 As\n0.348907 0.651093 0.151093 As\n0.233600 0.766400 0.266400 As\n0.151093 0.348907 0.651093 As\n0.233600 0.733600 0.766400 As\n0.266400 0.233600 0.766400 As\n0.766400 0.266400 0.233600 As\n0.848907 0.651093 0.348907 As\n0.151093 0.151093 0.151093 As\n0.651093 0.348907 0.848907 As\n0.733600 0.766400 0.233600 As\n0.348907 0.848907 0.651093 As\n0.303618 0.540132 0.453583 Cl\n0.040132 0.453583 0.196382 Cl\n0.696382 0.040132 0.046417 Cl\n0.500000 0.000000 0.500000 Cl\n0.459868 0.953583 0.196382 Cl\n0.196382 0.459868 0.953583 Cl\n0.453583 0.196382 0.040132 Cl\n0.000000 0.000000 0.000000 Cl\n0.959868 0.953583 0.303618 Cl\n0.453583 0.303618 0.540132 Cl\n0.803618 0.540132 0.046417 Cl\n0.046417 0.696382 0.040132 Cl\n0.546417 0.696382 0.459868 Cl\n0.953583 0.303618 0.959868 Cl\n0.696382 0.459868 0.546417 Cl\n0.803618 0.959868 0.546417 Cl\n0.500000 0.500000 0.000000 Cl\n0.000000 0.500000 0.500000 Cl\n0.540132 0.046417 0.803618 Cl\n0.303618 0.959868 0.953583 Cl\n0.040132 0.046417 0.696382 Cl\n0.953583 0.196382 0.459868 Cl\n0.196382 0.040132 0.453583 Cl\n0.540132 0.453583 0.303618 Cl\n0.046417 0.803618 0.540132 Cl\n0.546417 0.803618 0.959868 Cl\n0.959868 0.546417 0.803618 Cl\n0.459868 0.546417 0.696382 Cl\n",
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"formula_full": "In4 Hg24 As16 Cl28",
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{
"id": "mp-1516623",
"created_at": "2022-09-04T14:39:09.755755Z",
"structure_string": "Ba1 Sr1 Cr1 Sn1 O6\n1.0\n0.000000 -4.054295 -4.054295\n4.054295 0.000000 -4.054295\n4.054295 -4.054295 -0.000000\nBa Sr Cr Sn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n0.000000 -0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Sn\n0.755763 0.244237 0.244237 O\n0.244237 0.755763 0.755763 O\n0.755763 0.244237 0.755763 O\n0.244237 0.755763 0.244237 O\n0.755763 0.755763 0.244237 O\n0.244237 0.244237 0.755763 O\n",
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"formula_full": "Ba1 Sr1 Cr1 Sn1 O6",
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{
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