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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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{
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"formula_full": "Ba6 Tm2 Ru4 O18",
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"spacegroup": 194
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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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"density_atomic": 0.04895873519574017,
"volume": 612.76092774983,
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"formula_full": "Ta2 H12 C4 Se2 Cl10",
"formula_reduced": "TaH6C2SeCl5",
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"spacegroup": 36
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{
"id": "mp-1113594",
"created_at": "2022-09-04T14:40:05.846896Z",
"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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"density": 4.87745936865782,
"density_atomic": 0.024379184711757925,
"volume": 410.18598932789837,
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"formula_full": "Cs2 Ga1 Ag1 I6",
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"updated_at": "2021-11-28T01:34:51.375000Z",
"spacegroup": 225
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{
"id": "mp-1026645",
"created_at": "2022-09-04T14:40:05.847326Z",
"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",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Hf-Mg-Na",
"density": 2.41749507282968,
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"formula_full": "Na1 Hf1 Mg14",
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{
"id": "mp-1190700",
"created_at": "2022-09-04T14:40:05.797872Z",
"structure_string": "Nd6 Be2 Cr2 S14\n1.0\n4.990958 -8.644592 0.000000\n4.990958 8.644592 0.000000\n0.000000 0.000000 5.990384\nNd Be Cr S\n6 2 2 14\ndirect\n0.860548 0.250266 0.254110 Nd\n0.749734 0.610282 0.254110 Nd\n0.389718 0.139452 0.254110 Nd\n0.139452 0.749734 0.754110 Nd\n0.250266 0.389718 0.754110 Nd\n0.610282 0.860548 0.754110 Nd\n0.666667 0.333333 0.837975 Be\n0.333333 0.666667 0.337975 Be\n0.000000 0.000000 0.484616 Cr\n0.000000 0.000000 0.984616 Cr\n0.922396 0.142407 0.728030 S\n0.857593 0.779988 0.728030 S\n0.220012 0.077604 0.728030 S\n0.077604 0.857593 0.228030 S\n0.142407 0.220012 0.228030 S\n0.779988 0.922396 0.228030 S\n0.590423 0.109555 0.970280 S\n0.890445 0.480868 0.970280 S\n0.519132 0.409577 0.970280 S\n0.409577 0.890445 0.470280 S\n0.109555 0.519132 0.470280 S\n0.480868 0.590423 0.470280 S\n0.666667 0.333333 0.488132 S\n0.333333 0.666667 0.988132 S\n",
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{
"id": "mp-1225920",
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"structure_string": "Cu12 As4 S13\n1.0\n8.773929 0.000000 0.000000\n-2.857849 8.304249 0.000000\n-2.957690 -4.148158 7.261870\nCu As S\n12 4 13\ndirect\n0.750099 0.499516 0.248962 Cu\n0.749772 0.250646 0.499315 Cu\n0.499609 0.249811 0.749829 Cu\n0.251243 0.750875 0.501467 Cu\n0.248360 0.498959 0.750175 Cu\n0.499666 0.749792 0.249960 Cu\n0.201877 0.962427 0.202714 Cu\n0.758736 0.798150 0.001827 Cu\n0.043712 0.242292 0.241329 Cu\n0.799189 0.994249 0.755721 Cu\n0.237506 0.240701 0.041347 Cu\n0.997919 0.800964 0.757205 Cu\n0.997330 0.997545 0.524672 As\n0.002613 0.528406 0.002745 As\n0.472559 0.475095 0.472840 As\n0.525342 0.996756 0.999859 As\n0.479250 0.999262 0.240515 S\n0.520891 0.523291 0.761537 S\n0.003655 0.481990 0.242949 S\n0.521188 0.762291 0.518141 S\n0.480032 0.241384 0.001814 S\n0.002725 0.242250 0.479767 S\n0.762535 0.238938 0.759272 S\n0.758276 0.759880 0.238133 S\n0.238115 0.760390 0.758200 S\n0.240767 0.999216 0.478748 S\n0.243460 0.481628 0.001960 S\n0.761745 0.522182 0.518499 S\n0.998231 0.997511 0.000499 S\n",
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"formula_full": "Cu12 As4 S13",
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{
"id": "mp-696630",
"created_at": "2022-09-04T14:40:05.808033Z",
"structure_string": "K4 Mn2 H4 O2 F10\n1.0\n6.040080 -0.000310 -0.811203\n-0.000480 8.345416 -0.000515\n-0.086699 -0.000386 6.289058\nK Mn H O F\n4 2 4 2 10\ndirect\n0.100216 0.249964 0.520278 K\n0.899298 0.750003 0.479671 K\n0.505966 0.249967 0.103066 K\n0.494095 0.749975 0.896822 K\n0.999979 0.000196 0.000026 Mn\n0.000223 0.499980 0.000148 Mn\n0.637606 0.344716 0.624216 H\n0.362085 0.844646 0.375682 H\n0.362064 0.655328 0.375688 H\n0.637469 0.155424 0.624100 H\n0.566452 0.250129 0.548895 O\n0.433164 0.749952 0.450931 O\n0.952466 0.249991 0.032049 F\n0.047597 0.749979 0.968078 F\n0.205084 0.494786 0.262588 F\n0.795301 0.994961 0.737570 F\n0.795610 0.504980 0.737883 F\n0.204745 0.005175 0.262263 F\n0.236132 0.465050 0.842465 F\n0.764139 0.965154 0.157537 F\n0.764441 0.534746 0.157868 F\n0.235868 0.034900 0.842176 F\n",
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{
"id": "mp-1214169",
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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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}