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{
"id": "mp-1367745",
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{
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{
"id": "mp-1187805",
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"structure_string": "Y3 Sn1\n1.0\n-2.341085 2.341085 5.264175\n2.341085 -2.341085 5.264175\n2.341085 2.341085 -5.264175\nY Sn\n3 1\ndirect\n0.750000 0.250000 0.500000 Y\n0.250000 0.750000 0.500000 Y\n0.500000 0.500000 0.000000 Y\n0.000000 0.000000 0.000000 Sn\n",
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{
"id": "mp-27111",
"created_at": "2022-09-04T14:40:05.831106Z",
"structure_string": "Li9 Sb9 P12 O48\n1.0\n9.203368 0.000000 0.000000\n-0.118388 9.257059 0.000000\n-0.152664 -1.011575 13.076427\nLi Sb P O\n9 9 12 48\ndirect\n0.114603 0.774365 0.154928 Li\n0.880852 0.892457 0.518709 Li\n0.383821 0.250567 0.147047 Li\n0.382948 0.596761 0.481145 Li\n0.386779 0.950885 0.820925 Li\n0.621413 0.076296 0.182954 Li\n0.612769 0.418290 0.521284 Li\n0.121707 0.414772 0.813289 Li\n0.887023 0.244820 0.851900 Li\n0.460519 0.670608 0.145058 Sb\n0.851025 0.557745 0.204225 Sb\n0.017678 0.160002 0.170234 Sb\n0.992533 0.513041 0.497916 Sb\n0.038400 0.841413 0.815361 Sb\n0.642929 0.707644 0.865301 Sb\n0.144564 0.109938 0.459277 Sb\n0.533598 0.005135 0.517849 Sb\n0.494314 0.316562 0.832096 Sb\n0.815264 0.857444 0.068530 P\n0.321836 0.966650 0.267802 P\n0.718030 0.330078 0.051602 P\n0.679919 0.704130 0.397801 P\n0.213102 0.492265 0.269349 P\n0.192088 0.821312 0.603601 P\n0.795582 0.176914 0.398478 P\n0.798515 0.492244 0.716583 P\n0.288190 0.339215 0.611324 P\n0.293335 0.667358 0.938032 P\n0.691224 0.011804 0.735455 P\n0.189450 0.140810 0.940049 P\n0.915681 0.991010 0.073087 O\n0.661652 0.883394 0.104081 O\n0.159782 0.963996 0.234522 O\n0.267833 0.718380 0.054182 O\n0.899088 0.741543 0.130356 O\n0.327537 0.003678 0.388575 O\n0.375749 0.805662 0.255428 O\n0.707292 0.501766 0.080634 O\n0.626147 0.865352 0.413254 O\n0.671335 0.669065 0.276846 O\n0.102691 0.590251 0.217217 O\n0.102930 0.932436 0.539876 O\n0.710163 0.950084 0.621307 O\n0.363684 0.500283 0.208491 O\n0.841908 0.706327 0.431407 O\n0.877600 0.303584 0.092136 O\n0.337714 0.785315 0.557363 O\n0.598474 0.251184 0.104309 O\n0.233604 0.539874 0.382192 O\n0.188793 0.175106 0.059670 O\n0.212251 0.893205 0.717198 O\n0.586569 0.598232 0.450524 O\n0.170079 0.329979 0.252319 O\n0.606607 0.893101 0.795064 O\n0.082296 0.694186 0.612559 O\n0.139522 0.976151 0.921576 O\n0.861639 0.333085 0.410785 O\n0.799595 0.659944 0.754463 O\n0.417036 0.070607 0.215068 O\n0.818978 0.482912 0.597746 O\n0.768675 0.128739 0.286502 O\n0.402693 0.422000 0.557717 O\n0.397742 0.776947 0.892760 O\n0.817449 0.797393 0.951572 O\n0.126447 0.375922 0.584187 O\n0.142601 0.666926 0.878375 O\n0.646879 0.181068 0.461953 O\n0.639169 0.440975 0.732854 O\n0.897156 0.070871 0.451939 O\n0.914708 0.413694 0.771400 O\n0.305411 0.356058 0.730059 O\n0.294333 0.170629 0.577298 O\n0.353959 0.513988 0.931927 O\n0.574823 0.133874 0.733381 O\n0.713515 0.302496 0.934243 O\n0.091012 0.241127 0.886751 O\n0.835915 0.053995 0.784900 O\n0.349277 0.142083 0.901842 O\n",
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],
"chemical_system": "Li-O-P-Sb",
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"density_atomic": 0.07001412885435401,
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"formula_full": "Li9 Sb9 P12 O48",
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"spacegroup": 1
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{
"id": "mp-1208793",
"created_at": "2022-09-04T14:40:05.836025Z",
"structure_string": "Sm1 Mg5 Sb4\n1.0\n2.335799 -4.045722 0.000000\n2.335799 4.045722 0.000000\n0.000000 0.000000 14.608174\nSm Mg Sb\n1 5 4\ndirect\n0.000000 0.000000 0.000000 Sm\n0.333333 0.666667 0.328073 Mg\n0.666667 0.333333 0.671927 Mg\n0.000000 0.000000 0.500000 Mg\n0.333333 0.666667 0.808695 Mg\n0.666667 0.333333 0.191305 Mg\n0.333333 0.666667 0.124188 Sb\n0.666667 0.333333 0.875812 Sb\n0.333333 0.666667 0.610021 Sb\n0.666667 0.333333 0.389979 Sb\n",
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"volume": 276.0942958269715,
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"formula_full": "Sm1 Mg5 Sb4",
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"energy": -35.01928573,
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{
"id": "mp-1192701",
"created_at": "2022-09-04T14:40:05.845124Z",
"structure_string": "Ta2 H12 C4 Se2 Cl10\n1.0\n4.215414 -6.325618 0.000000\n4.215414 6.325618 0.000000\n0.000000 0.000000 11.489943\nTa H C Se Cl\n2 12 4 2 10\ndirect\n0.789401 0.210599 0.693521 Ta\n0.210599 0.789401 0.193521 Ta\n0.456747 0.212682 0.440883 H\n0.787318 0.543253 0.440883 H\n0.543253 0.787318 0.940883 H\n0.212682 0.456747 0.940883 H\n0.281994 0.151309 0.556808 H\n0.848691 0.718006 0.556808 H\n0.718006 0.848691 0.056808 H\n0.151309 0.281994 0.056808 H\n0.317463 0.355812 0.466705 H\n0.644188 0.682537 0.466705 H\n0.682537 0.644188 0.966705 H\n0.355812 0.317463 0.966705 H\n0.385345 0.266955 0.506681 C\n0.733045 0.614655 0.506681 C\n0.614655 0.733045 0.006681 C\n0.266955 0.385345 0.006681 C\n0.572481 0.427519 0.618785 Se\n0.427519 0.572481 0.118785 Se\n0.964626 0.035374 0.749558 Cl\n0.035374 0.964626 0.249558 Cl\n0.492316 0.955313 0.691354 Cl\n0.044687 0.507684 0.691354 Cl\n0.507684 0.044687 0.191354 Cl\n0.955313 0.492316 0.191354 Cl\n0.825102 0.174898 0.493910 Cl\n0.174898 0.825102 0.993910 Cl\n0.720415 0.279585 0.883381 Cl\n0.279585 0.720415 0.383381 Cl\n",
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{
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"structure_string": "Cs2 Ga1 Ag1 I6\n1.0\n0.000000 5.897260 5.897260\n5.897260 0.000000 5.897260\n5.897260 5.897260 0.000000\nCs Ga Ag I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ag\n0.755649 0.244351 0.244350 I\n0.244350 0.244351 0.755649 I\n0.244350 0.755649 0.755649 I\n0.244350 0.755650 0.244351 I\n0.755649 0.244351 0.755649 I\n0.755649 0.755649 0.244350 I\n",
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{
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"structure_string": "Na1 Hf1 Mg14\n1.0\n6.439221 -0.036633 0.000000\n-3.251336 5.631478 0.000000\n0.000000 0.000000 10.295687\nNa Hf Mg\n1 1 14\ndirect\n0.169090 0.334544 0.125000 Na\n0.173564 0.836782 0.125000 Hf\n0.166548 0.333273 0.625000 Mg\n0.166385 0.833192 0.625000 Mg\n0.661737 0.335683 0.125000 Mg\n0.667407 0.333881 0.625000 Mg\n0.661737 0.826053 0.125000 Mg\n0.667407 0.833525 0.625000 Mg\n0.331878 0.160067 0.375080 Mg\n0.331878 0.160067 0.874920 Mg\n0.331878 0.671811 0.375080 Mg\n0.331878 0.671811 0.874920 Mg\n0.830243 0.165122 0.375560 Mg\n0.830243 0.165122 0.874440 Mg\n0.839065 0.669533 0.372797 Mg\n0.839065 0.669533 0.877203 Mg\n",
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{
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"structure_string": "Ca10 Co2 Pb6\n1.0\n4.755921 -8.237496 0.000000\n4.755921 8.237496 0.000000\n0.000000 0.000000 6.761321\nCa Co Pb\n10 2 6\ndirect\n0.250976 0.000000 0.250000 Ca\n0.749024 0.000000 0.750000 Ca\n0.000000 0.250976 0.250000 Ca\n0.000000 0.749024 0.750000 Ca\n0.749024 0.749024 0.250000 Ca\n0.250976 0.250976 0.750000 Ca\n0.333333 0.666667 0.000000 Ca\n0.666667 0.333333 0.000000 Ca\n0.666667 0.333333 0.500000 Ca\n0.333333 0.666667 0.500000 Ca\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.605414 0.000000 0.250000 Pb\n0.394586 0.000000 0.750000 Pb\n0.000000 0.605414 0.250000 Pb\n0.000000 0.394586 0.750000 Pb\n0.394586 0.394586 0.250000 Pb\n0.605414 0.605414 0.750000 Pb\n",
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{
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}