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{
"id": "mp-780397",
"created_at": "2022-09-04T14:45:20.194320Z",
"structure_string": "Ca16 Cr8 O32\n1.0\n5.644404 0.000000 0.000000\n0.000000 9.663164 0.000000\n0.000000 0.000000 13.594283\nCa Cr O\n16 8 32\ndirect\n0.719907 0.772121 0.048910 Ca\n0.685372 0.417791 0.120701 Ca\n0.226691 0.995523 0.128272 Ca\n0.181289 0.645098 0.202338 Ca\n0.681289 0.145098 0.297662 Ca\n0.726691 0.495523 0.371728 Ca\n0.185372 0.917791 0.379299 Ca\n0.219907 0.272121 0.451090 Ca\n0.780093 0.772121 0.548910 Ca\n0.814628 0.417791 0.620701 Ca\n0.273309 0.995523 0.628272 Ca\n0.318711 0.645098 0.702338 Ca\n0.818711 0.145098 0.797662 Ca\n0.773309 0.495523 0.871728 Ca\n0.314628 0.917791 0.879299 Ca\n0.280093 0.272121 0.951090 Ca\n0.776363 0.127515 0.029661 Cr\n0.176582 0.283872 0.226402 Cr\n0.676582 0.783872 0.273598 Cr\n0.276363 0.627515 0.470339 Cr\n0.723637 0.127515 0.529661 Cr\n0.323418 0.283872 0.726402 Cr\n0.823418 0.783872 0.773598 Cr\n0.223637 0.627515 0.970339 Cr\n0.557844 0.997585 0.016978 O\n0.956467 0.559439 0.026892 O\n0.285725 0.772644 0.048347 O\n0.352892 0.245223 0.119669 O\n0.869971 0.194705 0.148102 O\n0.613684 0.639712 0.191264 O\n0.942401 0.845102 0.198314 O\n0.493119 0.936508 0.257977 O\n0.993119 0.436508 0.242023 O\n0.442401 0.345102 0.301686 O\n0.113684 0.139712 0.308736 O\n0.369971 0.694705 0.351898 O\n0.852892 0.745223 0.380331 O\n0.785725 0.272644 0.451653 O\n0.456467 0.059439 0.473108 O\n0.057844 0.497585 0.483022 O\n0.942156 0.997585 0.516978 O\n0.543533 0.559439 0.526892 O\n0.214275 0.772644 0.548347 O\n0.147108 0.245223 0.619669 O\n0.630029 0.194705 0.648102 O\n0.886316 0.639712 0.691264 O\n0.557599 0.845102 0.698314 O\n0.006881 0.936508 0.757977 O\n0.506881 0.436508 0.742023 O\n0.057599 0.345102 0.801686 O\n0.386316 0.139712 0.808736 O\n0.130029 0.694705 0.851898 O\n0.647108 0.745223 0.880331 O\n0.714275 0.272644 0.951653 O\n0.043533 0.059439 0.973108 O\n0.442156 0.497585 0.983022 O\n",
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"spacegroup": 33
},
{
"id": "mp-570292",
"created_at": "2022-09-04T14:45:20.195288Z",
"structure_string": "La7 Os4 C9\n1.0\n2.714545 6.016082 0.000000\n-2.714545 6.016082 0.000000\n0.000000 4.271338 11.214988\nLa Os C\n7 4 9\ndirect\n0.373485 0.373485 0.842894 La\n0.146934 0.146934 0.679221 La\n0.853066 0.853066 0.320779 La\n0.137025 0.137025 0.382567 La\n0.862975 0.862975 0.617433 La\n0.000000 0.000000 0.000000 La\n0.626515 0.626515 0.157106 La\n0.357638 0.357638 0.141229 Os\n0.566153 0.566153 0.571211 Os\n0.433847 0.433847 0.428789 Os\n0.642362 0.642362 0.858771 Os\n0.384565 0.384565 0.290660 C\n0.922023 0.922023 0.820227 C\n0.392026 0.392026 0.612528 C\n0.196033 0.196033 0.144555 C\n0.803967 0.803967 0.855445 C\n0.500000 0.500000 0.000000 C\n0.077977 0.077977 0.179773 C\n0.615435 0.615435 0.709340 C\n0.607974 0.607974 0.387472 C\n",
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"elements": [
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"formula_full": "La7 Os4 C9",
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},
{
"id": "mp-1040836",
"created_at": "2022-09-04T14:45:20.226087Z",
"structure_string": "La2 Cr2 Co2 O12\n1.0\n5.271665 -0.000706 0.036110\n-0.000764 6.154132 0.000291\n0.040450 0.000369 7.510711\nLa Cr Co O\n2 2 2 12\ndirect\n0.013638 0.872921 0.745231 La\n0.514048 0.627173 0.245493 La\n0.534134 0.078738 0.482444 Cr\n0.034259 0.420981 0.982342 Cr\n0.559659 0.076398 0.984767 Co\n0.060173 0.423842 0.484832 Co\n0.078298 0.467778 0.239329 O\n0.202562 0.190277 0.958966 O\n0.218135 0.161749 0.560294 O\n0.234246 0.646095 0.974708 O\n0.244894 0.657349 0.530862 O\n0.423807 0.030008 0.273846 O\n0.578348 0.032125 0.739116 O\n0.702564 0.309734 0.458947 O\n0.718381 0.338272 0.060250 O\n0.734651 0.853718 0.474496 O\n0.744301 0.843065 0.030718 O\n0.923966 0.469777 0.773774 O\n",
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"formula_full": "La2 Cr2 Co2 O12",
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{
"id": "mp-1094377",
"created_at": "2022-09-04T14:45:20.236166Z",
"structure_string": "Mg4 Ti2\n1.0\n5.360462 -2.647024 0.000000\n5.360462 2.647024 0.000000\n4.053347 0.000000 4.394504\nMg Ti\n4 2\ndirect\n0.000000 0.668516 0.331484 Mg\n0.331484 0.000000 0.668516 Mg\n0.500000 0.500000 0.500000 Mg\n0.668516 0.331484 0.000000 Mg\n0.167577 0.167577 0.167577 Ti\n0.832423 0.832423 0.832423 Ti\n",
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{
"id": "mp-22352",
"created_at": "2022-09-04T14:45:20.240020Z",
"structure_string": "Ba6 In2 Ru4 O18\n1.0\n2.956507 -5.120821 0.000000\n2.956507 5.120821 0.000000\n0.000000 0.000000 14.450552\nBa In Ru O\n6 2 4 18\ndirect\n0.333333 0.666667 0.589016 Ba\n0.666667 0.333333 0.089016 Ba\n0.666667 0.333333 0.410984 Ba\n0.333333 0.666667 0.910984 Ba\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.500000 In\n0.000000 0.000000 0.000000 In\n0.333333 0.666667 0.336532 Ru\n0.666667 0.333333 0.836532 Ru\n0.666667 0.333333 0.663468 Ru\n0.333333 0.666667 0.163468 Ru\n0.173267 0.826733 0.085903 O\n0.173267 0.346534 0.085903 O\n0.653466 0.826733 0.085903 O\n0.346534 0.173267 0.585903 O\n0.826733 0.653466 0.914097 O\n0.826733 0.173267 0.585903 O\n0.826733 0.653466 0.585903 O\n0.173267 0.826733 0.414097 O\n0.653466 0.826733 0.414097 O\n0.346534 0.173267 0.914097 O\n0.826733 0.173267 0.914097 O\n0.173267 0.346534 0.414097 O\n0.489307 0.978614 0.250000 O\n0.510693 0.489307 0.750000 O\n0.978614 0.489307 0.750000 O\n0.021386 0.510693 0.250000 O\n0.489307 0.510693 0.250000 O\n0.510693 0.021386 0.750000 O\n",
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"formula_full": "Ba6 In2 Ru4 O18",
"formula_reduced": "Ba3InRu2O9",
"formula_anonymous": "AB2C3D9",
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"spacegroup": 194
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{
"id": "mp-976876",
"created_at": "2022-09-04T14:45:20.272604Z",
"structure_string": "K2 Pt1 C2\n1.0\n2.590925 -4.487614 0.000000\n2.590925 4.487614 0.000000\n0.000000 0.000000 5.243604\nK Pt C\n2 1 2\ndirect\n0.333333 0.666667 0.275457 K\n0.666667 0.333333 0.724543 K\n0.000000 0.000000 0.000000 Pt\n0.000000 0.000000 0.378221 C\n0.000000 0.000000 0.621779 C\n",
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{
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"structure_string": "K8 Nb4 Cu4 S8\n1.0\n5.719695 0.000000 0.000000\n2.859847 6.069894 0.000000\n2.859847 0.000000 17.535158\nK Nb Cu S\n8 4 4 8\ndirect\n0.545022 0.262770 0.578076 K\n0.876901 0.737230 0.578076 K\n0.192207 0.262770 0.421924 K\n0.204978 0.237230 0.921924 K\n0.385869 0.737230 0.421924 K\n0.873099 0.762770 0.921924 K\n0.557793 0.237230 0.078076 K\n0.364131 0.762770 0.078076 K\n0.875000 0.250000 0.250000 Nb\n0.875000 0.750000 0.250000 Nb\n0.875000 0.250000 0.750000 Nb\n0.375000 0.750000 0.750000 Nb\n0.375000 0.250000 0.250000 Cu\n0.375000 0.750000 0.250000 Cu\n0.375000 0.250000 0.750000 Cu\n0.875000 0.750000 0.750000 Cu\n0.034347 0.232538 0.119870 S\n0.845783 0.767462 0.119870 S\n0.733115 0.232538 0.880130 S\n0.715653 0.267462 0.380130 S\n0.386756 0.767462 0.880130 S\n0.904217 0.732538 0.380130 S\n0.016885 0.267462 0.619870 S\n0.363244 0.732538 0.619870 S\n",
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{
"id": "mp-989544",
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"structure_string": "Cs2 Se1 Cl1 F6\n1.0\n0.000000 4.885884 4.885884\n4.885884 0.000000 4.885884\n4.885884 4.885884 0.000000\nCs Se Cl F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.000000 0.000000 0.000000 Se\n0.500000 0.500000 0.500000 Cl\n0.196374 0.803626 0.803626 F\n0.196374 0.803626 0.196374 F\n0.803626 0.196374 0.803626 F\n0.803626 0.803626 0.196374 F\n0.196374 0.196374 0.803626 F\n0.803626 0.196374 0.196374 F\n",
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{
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