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{
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{
"id": "mp-561799",
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"structure_string": "Yb8 Ga16 S32\n1.0\n0.000000 10.064282 10.075707\n6.099747 0.000000 10.075707\n6.099747 10.064282 0.000000\nYb Ga S\n8 16 32\ndirect\n0.751916 0.751916 0.248084 Yb\n0.498084 0.498084 0.001916 Yb\n0.001916 0.001916 0.498084 Yb\n0.000000 0.000000 0.000000 Yb\n0.750000 0.750000 0.750000 Yb\n0.500000 0.500000 0.500000 Yb\n0.248084 0.248084 0.751916 Yb\n0.250000 0.250000 0.250000 Yb\n0.488990 0.761274 0.237726 Ga\n0.983483 0.264937 0.657650 Ga\n0.761274 0.488990 0.512011 Ga\n0.266517 0.985063 0.592350 Ga\n0.592350 0.156070 0.266517 Ga\n0.012274 0.737989 0.761010 Ga\n0.488726 0.761010 0.737989 Ga\n0.737989 0.012274 0.488726 Ga\n0.264937 0.983483 0.093930 Ga\n0.156070 0.592350 0.985063 Ga\n0.512011 0.237726 0.761274 Ga\n0.093930 0.657650 0.264937 Ga\n0.985063 0.266517 0.156070 Ga\n0.761010 0.488726 0.012274 Ga\n0.237726 0.512011 0.488990 Ga\n0.657650 0.093930 0.983483 Ga\n0.709603 0.212430 0.539356 S\n0.466522 0.282473 0.970910 S\n0.213873 0.209334 0.036900 S\n0.970910 0.280094 0.466522 S\n0.307020 0.439740 0.777163 S\n0.282473 0.466522 0.280094 S\n0.710107 0.213100 0.040666 S\n0.439740 0.307020 0.476077 S\n0.037570 0.540397 0.711389 S\n0.540397 0.037570 0.710644 S\n0.213100 0.710107 0.036127 S\n0.472837 0.773923 0.942980 S\n0.710644 0.711389 0.540397 S\n0.280094 0.970910 0.282473 S\n0.711389 0.710644 0.037570 S\n0.040666 0.036127 0.710107 S\n0.538611 0.539356 0.212430 S\n0.539356 0.538611 0.709603 S\n0.279090 0.969906 0.783478 S\n0.967527 0.783478 0.969906 S\n0.036900 0.539893 0.213873 S\n0.212430 0.709603 0.538611 S\n0.777163 0.476077 0.307020 S\n0.942980 0.810260 0.472837 S\n0.773923 0.472837 0.810260 S\n0.783478 0.967527 0.279090 S\n0.539893 0.036900 0.209334 S\n0.969906 0.279090 0.967527 S\n0.810260 0.942980 0.773923 S\n0.209334 0.213873 0.539893 S\n0.036127 0.040666 0.213100 S\n0.476077 0.777163 0.439740 S\n",
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"formula_full": "Yb8 Ga16 S32",
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"updated_at": "2021-11-28T01:36:40.390000Z",
"spacegroup": 70
},
{
"id": "mp-29117",
"created_at": "2022-09-04T14:44:46.002531Z",
"structure_string": "Ta6 Te2 I14\n1.0\n3.843801 -6.657658 0.000000\n3.843801 6.657658 0.000000\n0.000000 0.000000 15.073683\nTa Te I\n6 2 14\ndirect\n0.130681 0.869319 0.750511 Ta\n0.261362 0.130681 0.250511 Ta\n0.869319 0.738638 0.250511 Ta\n0.130681 0.261362 0.750511 Ta\n0.738638 0.869319 0.750511 Ta\n0.869319 0.130681 0.250511 Ta\n0.000000 0.000000 0.890848 Te\n0.000000 0.000000 0.390848 Te\n0.498497 0.996995 0.351135 I\n0.501503 0.003005 0.851135 I\n0.996995 0.498497 0.851135 I\n0.498497 0.501503 0.351135 I\n0.003005 0.501503 0.351135 I\n0.501503 0.498497 0.851135 I\n0.333333 0.666667 0.654099 I\n0.666667 0.333333 0.154099 I\n0.832777 0.167223 0.626271 I\n0.665554 0.832777 0.126272 I\n0.167223 0.334446 0.126272 I\n0.832777 0.665554 0.626271 I\n0.334446 0.167223 0.626271 I\n0.167223 0.832777 0.126272 I\n",
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"elements": [
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"density": 6.710127226754088,
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"volume": 771.4925752767815,
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"formula_full": "Ta6 Te2 I14",
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"updated_at": "2021-11-28T01:36:42.974000Z",
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},
{
"id": "mp-752724",
"created_at": "2022-09-04T14:44:43.713579Z",
"structure_string": "Ho4 Ti2 O10\n1.0\n2.038037 -5.502728 0.000000\n2.038037 5.502728 0.000000\n0.000000 0.000000 10.494647\nHo Ti O\n4 2 10\ndirect\n0.142305 0.857695 0.930385 Ho\n0.142305 0.857695 0.569615 Ho\n0.857695 0.142305 0.069615 Ho\n0.857695 0.142305 0.430385 Ho\n0.172747 0.827253 0.250000 Ti\n0.827253 0.172747 0.750000 Ti\n0.051719 0.948281 0.376351 O\n0.051719 0.948281 0.123649 O\n0.709179 0.290821 0.908023 O\n0.709179 0.290821 0.591977 O\n0.272998 0.727002 0.750000 O\n0.727002 0.272998 0.250000 O\n0.290821 0.709179 0.091977 O\n0.290821 0.709179 0.408023 O\n0.948281 0.051719 0.623649 O\n0.948281 0.051719 0.876351 O\n",
"nsites": 16,
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"elements": [
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"chemical_system": "Ho-O-Ti",
"density": 6.457961382749677,
"density_atomic": 0.06797231188253725,
"volume": 235.38996330814163,
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"formula_full": "Ho4 Ti2 O10",
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"spacegroup": 63
},
{
"id": "mp-1094238",
"created_at": "2022-09-04T14:44:46.153565Z",
"structure_string": "Mg3 Sn3\n1.0\n2.828502 4.812884 0.000000\n-2.828502 4.812884 0.000000\n0.000000 2.153101 5.446818\nMg Sn\n3 3\ndirect\n0.999777 0.336450 0.995450 Mg\n0.663550 0.000223 0.004550 Mg\n0.502366 0.497634 0.500000 Mg\n0.342759 0.657241 0.000000 Sn\n0.827125 0.835578 0.500941 Sn\n0.164422 0.172875 0.499059 Sn\n",
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"elements": [
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"density": 4.804157073376584,
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"formula_full": "Mg3 Sn3",
"formula_reduced": "MgSn",
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"energy": -17.23570092,
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{
"id": "mp-541916",
"created_at": "2022-09-04T14:44:46.709635Z",
"structure_string": "Rb8 Ag4 As12 Se24\n1.0\n8.034551 0.000000 0.000000\n0.000000 13.085470 0.000000\n0.000000 11.355543 14.736285\nRb Ag As Se\n8 4 12 24\ndirect\n0.899080 0.585371 0.763258 Rb\n0.399080 0.414629 0.736742 Rb\n0.100920 0.414629 0.236742 Rb\n0.600920 0.585371 0.263258 Rb\n0.371858 0.780884 0.389343 Rb\n0.871858 0.219116 0.110657 Rb\n0.628142 0.219116 0.610657 Rb\n0.128142 0.780884 0.889343 Rb\n0.993213 0.527626 0.573033 Ag\n0.493213 0.472374 0.926967 Ag\n0.006787 0.472374 0.426967 Ag\n0.506787 0.527626 0.073033 Ag\n0.089815 0.221769 0.651922 As\n0.589815 0.778231 0.848078 As\n0.910185 0.778231 0.348078 As\n0.410185 0.221769 0.151922 As\n0.958419 0.166096 0.862782 As\n0.458419 0.833904 0.637218 As\n0.041581 0.833904 0.137218 As\n0.541581 0.166096 0.362782 As\n0.332485 0.115382 0.006166 As\n0.832485 0.884618 0.493834 As\n0.667515 0.884618 0.993834 As\n0.167515 0.115382 0.506166 As\n0.238649 0.052046 0.657788 Se\n0.738649 0.947954 0.842212 Se\n0.761351 0.947954 0.342212 Se\n0.261351 0.052046 0.157788 Se\n0.742475 0.587982 0.446261 Se\n0.242475 0.412018 0.053739 Se\n0.257525 0.412018 0.553739 Se\n0.757525 0.587982 0.946261 Se\n0.204752 0.119312 0.804529 Se\n0.704752 0.880688 0.695471 Se\n0.795248 0.880688 0.195471 Se\n0.295248 0.119312 0.304529 Se\n0.830098 0.344824 0.729073 Se\n0.330098 0.655176 0.770927 Se\n0.169902 0.655176 0.270927 Se\n0.669902 0.344824 0.229073 Se\n0.106022 0.275908 0.915629 Se\n0.606022 0.724092 0.584371 Se\n0.893978 0.724092 0.084371 Se\n0.393978 0.275908 0.415629 Se\n0.069068 0.750983 0.540082 Se\n0.569068 0.249017 0.959918 Se\n0.930932 0.249017 0.459918 Se\n0.430932 0.750983 0.040082 Se\n",
"nsites": 48,
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"elements": [
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],
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"density": 4.189968390002707,
"density_atomic": 0.030981489050786057,
"volume": 1549.3122335507032,
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"formula_full": "Rb8 Ag4 As12 Se24",
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"energy": -192.77900117,
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"spacegroup": 14
},
{
"id": "mp-569570",
"created_at": "2022-09-04T14:44:42.535051Z",
"structure_string": "K16 Tl22\n1.0\n17.606277 -5.143858 0.000000\n17.606277 5.143858 0.000000\n16.103446 0.000000 8.781760\nK Tl\n16 22\ndirect\n0.325958 0.089662 0.649799 K\n0.078818 0.078818 0.078818 K\n0.921182 0.921182 0.921182 K\n0.910338 0.350201 0.674042 K\n0.350201 0.674042 0.910338 K\n0.174042 0.850201 0.410338 K\n0.589662 0.825958 0.149799 K\n0.089662 0.649799 0.325958 K\n0.850201 0.410338 0.174042 K\n0.149799 0.589662 0.825958 K\n0.825958 0.149799 0.589662 K\n0.649799 0.325958 0.089662 K\n0.410338 0.174042 0.850201 K\n0.421182 0.421182 0.421182 K\n0.674042 0.910338 0.350201 K\n0.578818 0.578818 0.578818 K\n0.228031 0.916340 0.510895 Tl\n0.583660 0.271969 0.989105 Tl\n0.467566 0.032434 0.250000 Tl\n0.197961 0.197961 0.197961 Tl\n0.083660 0.489105 0.771969 Tl\n0.771969 0.083660 0.489105 Tl\n0.967566 0.750000 0.532434 Tl\n0.532434 0.967566 0.750000 Tl\n0.271969 0.989105 0.583660 Tl\n0.416340 0.728031 0.010895 Tl\n0.302039 0.302039 0.302039 Tl\n0.032434 0.250000 0.467566 Tl\n0.750000 0.532434 0.967566 Tl\n0.697961 0.697961 0.697961 Tl\n0.489105 0.771969 0.083660 Tl\n0.510895 0.228031 0.916340 Tl\n0.250000 0.467566 0.032434 Tl\n0.916340 0.510895 0.228031 Tl\n0.802039 0.802039 0.802039 Tl\n0.010895 0.416340 0.728031 Tl\n0.728031 0.010895 0.416340 Tl\n0.989105 0.583660 0.271969 Tl\n",
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{
"id": "mp-1222934",
"created_at": "2022-09-04T14:44:47.207342Z",
"structure_string": "La2 Ge2 Pd2\n1.0\n2.284427 5.273403 0.000000\n-2.284427 5.273403 0.000000\n0.000000 5.271095 5.578187\nLa Ge Pd\n2 2 2\ndirect\n0.533515 0.533515 0.706010 La\n0.466485 0.466485 0.293990 La\n0.839247 0.839247 0.110735 Ge\n0.160753 0.160753 0.889265 Ge\n0.185619 0.185619 0.278113 Pd\n0.814381 0.814381 0.721887 Pd\n",
"nsites": 6,
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],
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"formula_full": "La2 Ge2 Pd2",
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{
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"created_at": "2022-09-04T14:44:48.422933Z",
"structure_string": "Cs4 K8\n1.0\n4.533248 -7.851816 0.000000\n4.533248 7.851816 0.000000\n0.000000 0.000000 14.847829\nCs K\n4 8\ndirect\n0.333333 0.666667 0.437063 Cs\n0.666667 0.333333 0.937063 Cs\n0.666667 0.333333 0.562937 Cs\n0.333333 0.666667 0.062937 Cs\n0.167987 0.335975 0.750000 K\n0.832013 0.167987 0.250000 K\n0.335975 0.167987 0.250000 K\n0.664025 0.832013 0.750000 K\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.832013 0.664025 0.250000 K\n0.167987 0.832013 0.750000 K\n",
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{
"id": "mp-1195449",
"created_at": "2022-09-04T14:44:48.008187Z",
"structure_string": "Rb14 Nd22 Te24 Br32 O72\n1.0\n-16.314767 0.000000 0.000000\n-0.000000 16.314767 0.000000\n8.157384 -8.157384 -13.453297\nRb Nd Te Br O\n14 22 24 32 72\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.382393 0.117607 -0.000000 Rb\n0.617607 0.882393 -0.000000 Rb\n0.117607 0.617607 1.000000 Rb\n0.882393 0.382393 0.000000 Rb\n0.377089 0.630666 0.000000 Rb\n0.622911 0.369334 1.000000 Rb\n0.122911 0.130666 0.000000 Rb\n0.877089 0.869334 1.000000 Rb\n0.369334 0.377089 1.000000 Rb\n0.630666 0.622911 0.000000 Rb\n0.869334 0.122911 1.000000 Rb\n0.130666 0.877089 0.000000 Rb\n0.750000 0.750000 0.500000 Nd\n0.250000 0.250000 0.500000 Nd\n0.516812 0.016812 0.278376 Nd\n0.761564 0.261564 0.278376 Nd\n0.261564 0.516812 0.278376 Nd\n0.016812 0.761564 0.278376 Nd\n0.483188 0.983188 0.721624 Nd\n0.238436 0.738436 0.721624 Nd\n0.738436 0.483188 0.721624 Nd\n0.983188 0.238436 0.721624 Nd\n0.750000 0.004493 0.500000 Nd\n0.750000 0.495507 0.500000 Nd\n0.250000 0.504493 0.500000 Nd\n0.250000 0.995507 0.500000 Nd\n0.495507 0.750000 0.500000 Nd\n0.004493 0.750000 0.500000 Nd\n0.995507 0.250000 0.500000 Nd\n0.504493 0.250000 0.500000 Nd\n0.500000 -0.000000 0.500000 Nd\n0.000000 0.500000 0.500000 Nd\n0.500000 0.500000 0.500000 Nd\n0.000000 -0.000000 0.500000 Nd\n0.536478 0.801345 0.317317 Te\n0.780839 0.515972 0.317317 Te\n0.280839 0.301345 0.317317 Te\n0.036478 0.015972 0.317317 Te\n0.515972 0.536478 0.317317 Te\n0.801345 0.780839 0.317317 Te\n0.015972 0.280839 0.317317 Te\n0.301345 0.036478 0.317317 Te\n0.463522 0.198655 0.682683 Te\n0.219161 0.484028 0.682683 Te\n0.719161 0.698655 0.682683 Te\n0.963522 0.984028 0.682683 Te\n0.484028 0.463522 0.682683 Te\n0.198655 0.219161 0.682683 Te\n0.984028 0.719161 0.682683 Te\n0.698655 0.963522 0.682683 Te\n0.711192 0.211192 0.659050 Te\n0.947858 0.447858 0.659050 Te\n0.447858 0.711192 0.659050 Te\n0.211192 0.947858 0.659050 Te\n0.288808 0.788808 0.340950 Te\n0.052142 0.552142 0.340950 Te\n0.552142 0.288808 0.340950 Te\n0.788808 0.052142 0.340950 Te\n0.581754 0.081754 0.163508 Br\n0.081754 0.581754 0.163508 Br\n0.418246 0.918246 0.836492 Br\n0.918246 0.418246 0.836492 Br\n0.572493 0.835311 0.156630 Br\n0.584137 0.321319 0.156630 Br\n0.084137 0.335311 0.156630 Br\n0.072493 0.821319 0.156630 Br\n0.321319 0.572493 0.156630 Br\n0.835311 0.584137 0.156630 Br\n0.821319 0.084137 0.156630 Br\n0.335311 0.072493 0.156630 Br\n0.427507 0.164689 0.843370 Br\n0.415863 0.678681 0.843370 Br\n0.915863 0.664689 0.843370 Br\n0.927507 0.178681 0.843370 Br\n0.678681 0.427507 0.843370 Br\n0.164689 0.415863 0.843370 Br\n0.178681 0.915863 0.843370 Br\n0.664689 0.927507 0.843370 Br\n0.579023 0.579023 0.158046 Br\n0.079023 0.079023 0.158046 Br\n0.420977 0.420977 0.841954 Br\n0.920977 0.920977 0.841954 Br\n0.334582 0.834582 0.160904 Br\n0.826321 0.326321 0.160904 Br\n0.326321 0.334582 0.160904 Br\n0.834582 0.826321 0.160904 Br\n0.665418 0.165418 0.839096 Br\n0.173679 0.673679 0.839096 Br\n0.673679 0.665418 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O\n0.901132 0.401132 0.522583 O\n0.401132 0.621452 0.522583 O\n0.121452 0.901132 0.522583 O\n0.378548 0.878548 0.477417 O\n0.098868 0.598868 0.477417 O\n0.598868 0.378548 0.477417 O\n0.878548 0.098868 0.477417 O\n",
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},
{
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{
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"structure_string": "Rb8 Hg3 Ge43\n1.0\n7.867262 -7.868528 0.000000\n7.867262 7.868528 0.000000\n-0.002532 0.000000 11.126883\nRb Hg Ge\n8 3 43\ndirect\n0.249870 0.249870 0.249870 Rb\n0.750130 0.750130 0.750130 Rb\n0.500000 0.249663 0.750337 Rb\n0.249663 0.750337 0.500000 Rb\n0.750337 0.500000 0.249663 Rb\n0.000000 0.249657 0.750343 Rb\n0.249657 0.750343 0.000000 Rb\n0.750343 0.000000 0.249657 Rb\n0.749921 0.250079 0.000000 Hg\n0.250079 0.000000 0.749921 Hg\n0.000000 0.749921 0.250079 Hg\n0.553938 0.249839 0.367797 Ge\n0.249839 0.367797 0.553938 Ge\n0.367797 0.553938 0.249839 Ge\n0.946556 0.249921 0.133449 Ge\n0.249921 0.133449 0.946556 Ge\n0.133449 0.946556 0.249921 Ge\n0.249821 0.367687 0.946241 Ge\n0.133541 0.553602 0.250008 Ge\n0.250008 0.133541 0.553602 Ge\n0.367687 0.946241 0.249821 Ge\n0.553602 0.250008 0.133541 Ge\n0.946241 0.249821 0.367687 Ge\n0.632203 0.750161 0.446062 Ge\n0.446398 0.866459 0.749992 Ge\n0.750179 0.053759 0.632313 Ge\n0.866551 0.750079 0.053444 Ge\n0.053759 0.632313 0.750179 Ge\n0.749992 0.446398 0.866459 Ge\n0.053444 0.866551 0.750079 Ge\n0.750079 0.053444 0.866551 Ge\n0.446062 0.632203 0.750161 Ge\n0.750161 0.446062 0.632203 Ge\n0.866459 0.749992 0.446398 Ge\n0.632313 0.750179 0.053759 Ge\n0.434462 0.434462 0.434462 Ge\n0.067544 0.067544 0.067544 Ge\n0.066670 0.433324 0.066921 Ge\n0.433885 0.066283 0.434071 Ge\n0.433324 0.066921 0.066670 Ge\n0.066283 0.434071 0.433885 Ge\n0.066921 0.066670 0.433324 Ge\n0.434071 0.433885 0.066283 Ge\n0.565929 0.933717 0.566115 Ge\n0.933079 0.566676 0.933330 Ge\n0.932456 0.932456 0.932456 Ge\n0.565538 0.565538 0.565538 Ge\n0.933717 0.566115 0.565929 Ge\n0.566676 0.933330 0.933079 Ge\n0.566115 0.565929 0.933717 Ge\n0.933330 0.933079 0.566676 Ge\n0.749787 0.250213 0.500000 Ge\n0.250213 0.500000 0.749787 Ge\n0.500000 0.749787 0.250213 Ge\n",
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{
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],
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}
]
}