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{
"id": "mp-1213816",
"created_at": "2022-09-04T14:45:58.311128Z",
"structure_string": "Cr4 As4 Ru4\n1.0\n0.000000 -3.987157 0.000000\n-6.060452 0.000000 0.000000\n0.000000 0.000000 -7.316095\nCr As Ru\n4 4 4\ndirect\n0.750000 0.966746 0.307590 Cr\n0.250000 0.033254 0.692410 Cr\n0.250000 0.533254 0.807590 Cr\n0.750000 0.466746 0.192410 Cr\n0.750000 0.748354 0.618458 As\n0.250000 0.251646 0.381542 As\n0.250000 0.751646 0.118458 As\n0.750000 0.248354 0.881542 As\n0.750000 0.842867 0.940829 Ru\n0.250000 0.157133 0.059171 Ru\n0.250000 0.657133 0.440829 Ru\n0.750000 0.342867 0.559171 Ru\n",
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{
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"created_at": "2022-09-04T14:48:13.656547Z",
"structure_string": "Tc12 Bi2 O36\n1.0\n7.265081 0.000000 0.000000\n-0.004411 7.265992 0.000000\n-3.579414 -3.595279 15.433338\nTc Bi O\n12 2 36\ndirect\n0.006557 0.008139 0.998009 Tc\n0.503262 0.982574 0.998118 Tc\n0.164381 0.665741 0.327771 Tc\n0.834061 0.833849 0.164056 Tc\n0.833822 0.346999 0.665366 Tc\n0.667131 0.660026 0.332301 Tc\n0.523094 0.001400 0.499902 Tc\n0.488727 0.500703 0.497696 Tc\n0.338864 0.341161 0.671480 Tc\n0.160644 0.665151 0.834130 Tc\n0.162277 0.164951 0.828826 Tc\n0.832757 0.331789 0.168836 Tc\n0.049589 0.004201 0.502060 Bi\n0.499339 0.462182 0.001706 Bi\n0.702073 0.794251 0.248707 O\n0.248161 0.914451 0.420355 O\n0.362890 0.477336 0.582754 O\n0.054141 0.804306 0.249774 O\n0.154237 0.906257 0.805171 O\n0.945089 0.700981 0.387655 O\n0.946834 0.557188 0.750216 O\n0.021768 0.775011 0.921948 O\n0.023712 0.150773 0.918862 O\n0.731175 0.474315 0.579710 O\n0.646996 0.908427 0.413126 O\n0.515308 0.777269 0.534129 O\n0.599714 0.353522 0.699445 O\n0.726593 0.982634 0.965694 O\n0.796745 0.548564 0.108321 O\n0.588396 0.845103 0.084071 O\n0.584918 0.252067 0.078844 O\n0.696160 0.442855 0.249134 O\n0.416365 0.179202 0.920422 O\n0.300792 0.552279 0.752050 O\n0.404015 0.764544 0.915016 O\n0.196630 0.442005 0.889321 O\n0.400021 0.650595 0.300274 O\n0.483912 0.227173 0.466035 O\n0.275105 0.020739 0.032494 O\n0.274155 0.527388 0.416189 O\n0.330935 0.088681 0.579918 O\n0.052100 0.446242 0.248261 O\n0.969918 0.851057 0.082964 O\n0.970255 0.215452 0.083228 O\n0.840669 0.098177 0.199302 O\n0.062994 0.301151 0.609553 O\n0.952729 0.202163 0.747100 O\n0.735981 0.095000 0.586513 O\n0.643582 0.529748 0.419430 O\n0.309160 0.192506 0.749219 O\n",
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"elements": [
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"volume": 814.6953615753612,
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"formula_full": "Tc12 Bi2 O36",
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{
"id": "mp-1277566",
"created_at": "2022-09-04T14:43:13.404666Z",
"structure_string": "Ca2 La6 Co4 O16\n1.0\n0.001326 -5.378010 -0.000585\n0.000738 0.001156 12.851359\n-5.381981 0.001326 -0.000645\nCa La Co O\n2 6 4 16\ndirect\n0.499884 0.142492 0.998726 Ca\n0.499978 0.643407 0.499298 Ca\n0.999630 0.139999 0.498457 La\n0.999931 0.639809 0.998186 La\n0.999964 0.356383 0.997054 La\n0.000262 0.857144 0.497016 La\n0.500096 0.358983 0.498657 La\n0.500068 0.859629 0.998348 La\n0.499975 0.502487 0.995756 Co\n0.500096 0.005085 0.495825 Co\n0.000083 0.005576 0.996026 Co\n0.000083 0.509307 0.495532 Co\n0.500024 0.321094 0.989735 O\n0.499957 0.825042 0.490478 O\n0.999944 0.321186 0.493160 O\n0.000040 0.818698 0.993123 O\n0.999933 0.177764 0.990597 O\n0.000056 0.676909 0.491037 O\n0.500086 0.176342 0.491374 O\n0.500005 0.679172 0.990921 O\n0.742986 0.497322 0.239419 O\n0.755393 0.997845 0.750463 O\n0.256910 0.497203 0.239366 O\n0.244642 0.997938 0.750373 O\n0.255214 0.497933 0.753728 O\n0.243446 0.998624 0.242900 O\n0.744745 0.498029 0.753701 O\n0.756570 0.998600 0.242745 O\n",
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"elements": [
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"density": 6.273487896871648,
"density_atomic": 0.07527404314179723,
"volume": 371.97417371689596,
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"formula_full": "Ca2 La6 Co4 O16",
"formula_reduced": "CaLa3(CoO4)2",
"formula_anonymous": "AB2C3D8",
"energy": -223.10381277,
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{
"id": "mp-19348",
"created_at": "2022-09-04T14:39:58.546122Z",
"structure_string": "Al8 Co2 B4 O20\n1.0\n4.399100 0.000000 0.000000\n0.000000 7.268604 0.000000\n0.000000 3.041663 9.124356\nAl Co B O\n8 2 4 20\ndirect\n0.521581 0.296778 0.331919 Al\n0.478419 0.703222 0.668081 Al\n0.005617 0.925101 0.391328 Al\n0.994383 0.074899 0.608672 Al\n0.505617 0.074899 0.108672 Al\n0.494383 0.925101 0.891328 Al\n0.021581 0.703222 0.168081 Al\n0.978419 0.296778 0.831919 Al\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.571222 0.708869 0.351256 B\n0.428778 0.291131 0.648744 B\n0.928778 0.708869 0.851256 B\n0.071222 0.291131 0.148744 B\n0.741870 0.281106 0.155658 O\n0.708569 0.541316 0.315014 O\n0.758130 0.281106 0.655658 O\n0.784662 0.112718 0.438641 O\n0.698989 0.711772 0.495623 O\n0.791431 0.541316 0.815014 O\n0.215338 0.887282 0.561359 O\n0.258130 0.718894 0.844342 O\n0.284662 0.887282 0.061359 O\n0.715338 0.112718 0.938641 O\n0.291431 0.458684 0.684986 O\n0.198989 0.288228 0.004377 O\n0.757457 0.879188 0.743050 O\n0.241870 0.718894 0.344342 O\n0.208569 0.458684 0.184986 O\n0.801011 0.711772 0.995623 O\n0.257457 0.120812 0.756950 O\n0.742543 0.879188 0.243050 O\n0.301011 0.288228 0.504377 O\n0.242543 0.120812 0.256950 O\n",
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"density": 3.9667432425839886,
"density_atomic": 0.11653646826241564,
"volume": 291.75416508623846,
"volume_molar": 5.167601910192958,
"formula_full": "Al8 Co2 B4 O20",
"formula_reduced": "Al4Co(BO5)2",
"formula_anonymous": "AB2C4D10",
"energy": -270.91404452,
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"updated_at": "2021-11-28T01:34:44.273000Z",
"spacegroup": 14
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{
"id": "mp-1041914",
"created_at": "2022-09-04T14:40:03.884003Z",
"structure_string": "Mg2 Mn4 O8\n1.0\n-3.012599 3.012751 4.315846\n3.012599 -3.012751 4.315846\n3.012599 3.012751 -4.315846\nMg Mn O\n2 4 8\ndirect\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.612638 0.862638 0.750000 Mn\n0.387362 0.137362 0.250000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.254992 0.274911 0.980081 O\n0.247445 0.278007 0.530562 O\n0.794830 0.274911 0.519919 O\n0.247445 0.716883 0.969438 O\n0.752555 0.283117 0.030562 O\n0.752555 0.721993 0.469438 O\n0.205170 0.725089 0.480081 O\n0.745008 0.725089 0.019919 O\n",
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"density": 4.2005441007489415,
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"volume": 156.6861097132328,
"volume_molar": 6.739898627356366,
"formula_full": "Mg2 Mn4 O8",
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"energy": -111.55378692,
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{
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"structure_string": "Cr2 P4 O14\n1.0\n0.043313 -0.000470 4.800775\n6.675407 0.000123 -2.014417\n-0.000092 8.024498 -0.000790\nCr P O\n2 4 14\ndirect\n0.219723 0.727516 0.505195 Cr\n0.780234 0.272488 0.005168 Cr\n0.613000 0.491902 0.687933 P\n0.387015 0.508068 0.187867 P\n0.233812 0.103849 0.771145 P\n0.766171 0.896225 0.271102 P\n0.279475 0.511923 0.365612 O\n0.720600 0.488030 0.865613 O\n0.139804 0.913492 0.671752 O\n0.860130 0.086466 0.171741 O\n0.972350 0.171551 0.826344 O\n0.027723 0.828479 0.326322 O\n0.430185 0.093294 0.922905 O\n0.569855 0.906695 0.422921 O\n0.419056 0.269764 0.642149 O\n0.580889 0.730237 0.142136 O\n0.582001 0.366355 0.178696 O\n0.418042 0.633682 0.678780 O\n0.145052 0.460821 0.057911 O\n0.854887 0.539162 0.557907 O\n",
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{
"id": "mp-1522919",
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"structure_string": "Sr1 Nd1 Eu1 Sb1 O6\n1.0\n0.000000 -4.280960 -4.280960\n4.280960 0.000000 -4.280960\n4.280960 -4.280960 0.000000\nSr Nd Eu Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Nd\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Sb\n0.732996 0.267004 0.267004 O\n0.267004 0.732996 0.732996 O\n0.732996 0.267004 0.732996 O\n0.267004 0.732996 0.267004 O\n0.732996 0.732996 0.267004 O\n0.267004 0.267004 0.732996 O\n",
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{
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"created_at": "2022-09-04T14:42:49.046388Z",
"structure_string": "Ba8 Pr4 Zr4 O24\n1.0\n8.854182 0.000000 0.000000\n0.000000 8.854182 0.000000\n0.000000 0.000000 8.854182\nBa Pr Zr O\n8 4 4 24\ndirect\n0.500000 0.500000 0.500000 Ba\n-0.000000 -0.000000 0.000000 Ba\n-0.000000 -0.000000 0.500000 Ba\n-0.000000 0.500000 0.000000 Ba\n0.500000 -0.000000 0.000000 Ba\n0.500000 0.500000 0.000000 Ba\n0.500000 -0.000000 0.500000 Ba\n-0.000000 0.500000 0.500000 Ba\n0.750000 0.750000 0.750000 Pr\n0.750000 0.250000 0.250000 Pr\n0.250000 0.750000 0.250000 Pr\n0.250000 0.250000 0.750000 Pr\n0.250000 0.250000 0.250000 Zr\n0.250000 0.750000 0.750000 Zr\n0.750000 0.250000 0.750000 Zr\n0.750000 0.750000 0.250000 Zr\n0.225313 0.278129 0.486806 O\n0.225313 0.721871 0.513194 O\n0.774687 0.278129 0.513194 O\n0.774687 0.721871 0.486806 O\n0.278129 0.486806 0.225313 O\n0.721871 0.513194 0.225313 O\n0.278129 0.513194 0.774687 O\n0.721871 0.486806 0.774687 O\n0.486806 0.225313 0.278129 O\n0.513194 0.225313 0.721871 O\n0.513194 0.774687 0.278129 O\n0.486806 0.774687 0.721871 O\n0.274687 0.221871 0.013194 O\n0.274687 0.778129 0.986806 O\n0.725313 0.221871 0.986806 O\n0.725313 0.778129 0.013194 O\n0.221871 0.013194 0.274687 O\n0.778129 0.986806 0.274687 O\n0.221871 0.986806 0.725313 O\n0.778129 0.013194 0.725313 O\n0.013194 0.274687 0.221871 O\n0.986806 0.274687 0.778129 O\n0.986806 0.725313 0.221871 O\n0.013194 0.725313 0.778129 O\n",
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{
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{
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}