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{
"id": "mp-1371062",
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"structure_string": "Li8 Mn2 Co4 O14\n1.0\n-5.131494 0.000000 0.000000\n2.454759 7.266192 0.000000\n-0.842903 -3.727141 -6.738650\nLi Mn Co O\n8 2 4 14\ndirect\n0.501274 0.929226 0.853301 Li\n0.493472 0.788500 0.564528 Li\n0.506528 0.211500 0.435472 Li\n0.498726 0.070774 0.146699 Li\n0.500000 0.500000 0.000000 Li\n0.507888 0.366371 0.703216 Li\n0.492112 0.633629 0.296784 Li\n0.000000 0.500000 0.500000 Li\n0.005801 0.784108 0.074604 Mn\n0.994199 0.215892 0.925396 Mn\n0.004516 0.646221 0.777782 Co\n0.995484 0.353779 0.222218 Co\n0.007747 0.086919 0.632780 Co\n0.992253 0.913081 0.367220 Co\n0.780433 0.934377 0.098607 O\n0.789526 0.787821 0.829823 O\n0.772867 0.209260 0.698322 O\n0.761742 0.075772 0.398491 O\n0.776387 0.511540 0.231760 O\n0.770339 0.350972 0.962826 O\n0.758264 0.660658 0.531739 O\n0.238258 0.924228 0.601509 O\n0.227133 0.790740 0.301678 O\n0.210474 0.212179 0.170177 O\n0.219567 0.065623 0.901393 O\n0.223613 0.488460 0.768239 O\n0.241736 0.339342 0.468261 O\n0.229661 0.649028 0.037174 O\n",
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{
"id": "mp-1247358",
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"structure_string": "Li12 Zr4 N8\n1.0\n6.110417 0.000000 0.002900\n0.000000 10.885454 0.000000\n-2.933740 0.000000 5.372595\nLi Zr N\n12 4 8\ndirect\n0.229206 0.063638 0.046234 Li\n0.770794 0.563638 0.453766 Li\n0.770794 0.936362 0.953766 Li\n0.229206 0.436362 0.546234 Li\n0.319595 0.524710 0.042650 Li\n0.680405 0.024710 0.457350 Li\n0.680405 0.475290 0.957350 Li\n0.319595 0.975290 0.542650 Li\n0.027998 0.299084 0.766074 Li\n0.972002 0.799084 0.733926 Li\n0.972002 0.700916 0.233926 Li\n0.027998 0.200916 0.266074 Li\n0.515656 0.203769 0.765974 Zr\n0.484344 0.703769 0.734026 Zr\n0.484344 0.796231 0.234026 Zr\n0.515656 0.296231 0.265974 Zr\n0.612068 0.853639 0.604290 N\n0.387932 0.353639 0.895710 N\n0.387932 0.146361 0.395710 N\n0.612068 0.646361 0.104290 N\n0.488758 0.553013 0.548291 N\n0.511242 0.053013 0.951709 N\n0.511242 0.446987 0.451709 N\n0.488758 0.946987 0.048291 N\n",
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"elements": [
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"formula_full": "Li12 Zr4 N8",
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{
"id": "mp-1225463",
"created_at": "2022-09-04T14:47:17.919949Z",
"structure_string": "Dy2 As7 Rh12\n1.0\n4.987891 -8.639281 0.000000\n4.987891 8.639281 0.000000\n0.000000 0.000000 3.924718\nDy As Rh\n2 7 12\ndirect\n0.333333 0.666667 0.748873 Dy\n0.666667 0.333333 0.250668 Dy\n0.000000 0.000000 0.585721 As\n0.879578 0.592962 0.751936 As\n0.407038 0.286616 0.751936 As\n0.713384 0.120422 0.751936 As\n0.117041 0.405010 0.249726 As\n0.594990 0.712031 0.249726 As\n0.287969 0.882959 0.249726 As\n0.617665 0.551986 0.751224 Rh\n0.448014 0.065679 0.751224 Rh\n0.934321 0.382335 0.751224 Rh\n0.382126 0.448695 0.250797 Rh\n0.551305 0.933431 0.250797 Rh\n0.066569 0.617874 0.250797 Rh\n0.115574 0.846564 0.752021 Rh\n0.153436 0.269010 0.752021 Rh\n0.730990 0.884426 0.752021 Rh\n0.886528 0.145654 0.250635 Rh\n0.854346 0.740874 0.250635 Rh\n0.259126 0.113472 0.250635 Rh\n",
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},
{
"id": "mp-1219142",
"created_at": "2022-09-04T14:47:17.926715Z",
"structure_string": "Sc6 Ga10 Ni2\n1.0\n0.000000 0.000000 -6.815754\n-3.973572 5.876606 -3.407877\n3.975319 5.877809 3.407877\nSc Ga Ni\n6 10 2\ndirect\n0.430801 0.467650 0.955366 Sc\n0.943085 0.532350 0.044634 Sc\n0.781312 0.270548 0.731571 Sc\n0.320289 0.729452 0.268429 Sc\n0.419991 0.050762 0.544283 Sc\n0.926470 0.949238 0.455717 Sc\n0.210162 0.263187 0.751129 Ga\n0.722220 0.736813 0.248871 Ga\n0.364257 0.127522 0.143780 Ga\n0.347999 0.872478 0.856220 Ga\n0.814063 0.638519 0.626045 Ga\n0.826537 0.361481 0.373955 Ga\n0.972824 0.839169 0.835493 Ga\n0.976499 0.160831 0.164507 Ga\n0.237069 0.500000 0.500000 Ga\n0.726212 0.000000 0.000000 Ga\n0.468807 0.330185 0.335587 Ni\n0.463405 0.669815 0.664413 Ni\n",
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"density": 5.654940347564214,
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"volume": 318.4134931481738,
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"formula_full": "Sc6 Ga10 Ni2",
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"spacegroup": 5
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{
"id": "mp-5599",
"created_at": "2022-09-04T14:47:17.932801Z",
"structure_string": "U20 Re20 Si36\n1.0\n8.141689 -14.101818 0.000000\n8.141689 14.101818 0.000000\n0.000000 0.000000 5.630544\nU Re Si\n20 20 36\ndirect\n0.333333 0.666667 0.750000 U\n0.666667 0.333333 0.250000 U\n0.839418 0.527104 0.750000 U\n0.312314 0.839418 0.250000 U\n0.527104 0.687686 0.250000 U\n0.472896 0.312314 0.750000 U\n0.687686 0.160582 0.750000 U\n0.160582 0.472896 0.250000 U\n0.684827 0.650803 0.750000 U\n0.034024 0.684827 0.250000 U\n0.650803 0.965976 0.250000 U\n0.349197 0.034024 0.750000 U\n0.965976 0.315173 0.750000 U\n0.315173 0.349197 0.250000 U\n0.993022 0.118087 0.750000 U\n0.874935 0.993022 0.250000 U\n0.118087 0.125065 0.250000 U\n0.881913 0.874935 0.750000 U\n0.125065 0.006978 0.750000 U\n0.006978 0.881913 0.250000 U\n0.576320 0.794701 0.750000 Re\n0.781619 0.576320 0.250000 Re\n0.794701 0.218381 0.250000 Re\n0.205299 0.781619 0.750000 Re\n0.218381 0.423680 0.750000 Re\n0.423680 0.205299 0.250000 Re\n0.761639 0.971230 0.750000 Re\n0.790409 0.761639 0.250000 Re\n0.971230 0.209591 0.250000 Re\n0.028770 0.790409 0.750000 Re\n0.209591 0.238361 0.750000 Re\n0.238361 0.028770 0.250000 Re\n0.500000 0.000000 0.000000 Re\n0.500000 0.500000 0.500000 Re\n0.000000 0.500000 0.500000 Re\n0.000000 0.500000 0.000000 Re\n0.500000 0.500000 0.000000 Re\n0.500000 0.000000 0.500000 Re\n0.666667 0.333333 0.750000 Re\n0.333333 0.666667 0.250000 Re\n0.123163 0.290688 0.027829 Si\n0.832475 0.123163 0.527829 Si\n0.290688 0.167525 0.527829 Si\n0.709312 0.832475 0.027829 Si\n0.167525 0.876837 0.027829 Si\n0.876837 0.709312 0.527829 Si\n0.876837 0.709312 0.972171 Si\n0.167525 0.876837 0.472171 Si\n0.709312 0.832475 0.472171 Si\n0.290688 0.167525 0.972171 Si\n0.832475 0.123163 0.972171 Si\n0.123163 0.290688 0.472171 Si\n0.177931 0.649499 0.030941 Si\n0.528432 0.177931 0.530941 Si\n0.649499 0.471568 0.530941 Si\n0.350501 0.528432 0.030941 Si\n0.471568 0.822069 0.030941 Si\n0.822069 0.350501 0.530941 Si\n0.822069 0.350501 0.969059 Si\n0.471568 0.822069 0.469059 Si\n0.350501 0.528432 0.469059 Si\n0.649499 0.471568 0.969059 Si\n0.528432 0.177931 0.969059 Si\n0.177931 0.649499 0.469059 Si\n0.377001 0.866693 0.750000 Si\n0.510308 0.377001 0.250000 Si\n0.866693 0.489692 0.250000 Si\n0.133307 0.510308 0.750000 Si\n0.489692 0.622999 0.750000 Si\n0.622999 0.133307 0.250000 Si\n0.041813 0.643480 0.750000 Si\n0.398333 0.041813 0.250000 Si\n0.643480 0.601667 0.250000 Si\n0.356520 0.398333 0.750000 Si\n0.601667 0.958187 0.750000 Si\n0.958187 0.356520 0.250000 Si\n",
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{
"id": "mp-1355028",
"created_at": "2022-09-04T14:47:17.936577Z",
"structure_string": "Rb6 Al2 Sb6 O21\n1.0\n2.851991 15.751731 0.000000\n-2.851991 15.751731 0.000000\n0.000000 0.017416 8.456358\nRb Al Sb O\n6 2 6 21\ndirect\n0.783111 0.783111 0.396844 Rb\n0.105121 0.105121 0.392620 Rb\n0.448872 0.448872 0.378158 Rb\n0.216889 0.216889 0.603156 Rb\n0.551128 0.551128 0.621842 Rb\n0.894879 0.894879 0.607380 Rb\n0.333875 0.333875 0.801245 Al\n0.666125 0.666125 0.198755 Al\n0.223732 0.223732 0.158260 Sb\n0.558505 0.558505 0.138316 Sb\n0.886372 0.886372 0.128625 Sb\n0.776268 0.776268 0.841740 Sb\n0.113628 0.113628 0.871375 Sb\n0.441495 0.441495 0.861684 Sb\n0.556119 0.057846 0.729496 O\n0.921137 0.345675 0.701434 O\n0.247393 0.693105 0.723348 O\n0.942154 0.443881 0.270504 O\n0.306895 0.752607 0.276652 O\n0.654325 0.078863 0.298566 O\n0.057846 0.556119 0.729496 O\n0.345675 0.921137 0.701434 O\n0.693105 0.247393 0.723348 O\n0.726724 0.726724 0.710526 O\n0.062565 0.062565 0.735031 O\n0.387717 0.387717 0.737382 O\n0.443881 0.942154 0.270504 O\n0.752607 0.306895 0.276652 O\n0.078863 0.654325 0.298566 O\n0.343628 0.343628 0.009663 O\n0.656372 0.656372 0.990337 O\n0.000000 0.000000 0.000000 O\n0.273276 0.273276 0.289474 O\n0.612283 0.612283 0.262618 O\n0.937435 0.937435 0.264969 O\n",
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{
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"structure_string": "Th2 Rh4\n1.0\n2.376329 -4.115923 0.000000\n2.376329 4.115923 0.000000\n0.000000 0.000000 5.962755\nTh Rh\n2 4\ndirect\n0.666667 0.333333 0.750000 Th\n0.333333 0.666667 0.250000 Th\n0.333333 0.666667 0.750000 Rh\n0.000000 0.000000 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n0.666667 0.333333 0.250000 Rh\n",
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{
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{
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"structure_string": "Tb4 Zr1 Al15\n1.0\n12.140946 -3.034541 0.000000\n12.140946 3.034541 0.000000\n11.382485 0.000000 5.200967\nTb Zr Al\n4 1 15\ndirect\n0.869156 0.869156 0.869156 Tb\n0.130844 0.130844 0.130844 Tb\n0.600156 0.600156 0.600156 Tb\n0.399844 0.399844 0.399844 Tb\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.363588 0.871688 0.363588 Al\n0.363588 0.363588 0.871688 Al\n0.871688 0.363588 0.363588 Al\n0.636412 0.128312 0.636412 Al\n0.636412 0.636412 0.128312 Al\n0.128312 0.636412 0.636412 Al\n0.117035 0.572158 0.117035 Al\n0.117035 0.117035 0.572158 Al\n0.572158 0.117035 0.117035 Al\n0.882965 0.427842 0.882965 Al\n0.882965 0.882965 0.427842 Al\n0.427842 0.882965 0.882965 Al\n",
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