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{
"id": "jvasp-52842",
"created_at": "2022-09-04T14:36:40.897821Z",
"updated_at": "2022-09-04T14:36:40.897831Z",
"structure_string": "Al6 C3 N2\n1.0\n-3.479176 0.002774 0.018118\n-0.003972 -4.189334 -0.046077\n0.048214 1.846690 9.031321\nAl C N\n6 3 2\ndirect\n0.138236 0.724368 0.749213 Al\n0.138749 0.922733 0.394296 Al\n0.638266 0.488912 0.513820 Al\n0.138072 0.373498 0.143613 Al\n0.638197 0.241253 0.834497 Al\n0.638117 0.839243 0.063791 Al\n0.138100 0.898595 0.183212 C\n0.138288 0.297343 0.577008 C\n0.638228 0.737049 0.837269 C\n0.638090 0.334894 0.052123 N\n0.138228 0.168802 0.715970 N\n",
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{
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"structure_string": "Al10 C6 N2\n1.0\n1.673104 -2.897900 0.000000\n1.673104 2.897900 -0.000000\n0.000000 -0.000000 21.012059\nAl C N\n10 6 2\ndirect\n0.333332 0.666666 0.248759 Al\n0.000000 0.000000 0.152501 Al\n0.333332 0.666666 0.046519 Al\n0.666666 0.333332 0.546519 Al\n0.333332 0.666666 0.450992 Al\n0.000000 0.000000 0.652501 Al\n0.000000 0.000000 0.345008 Al\n0.000000 0.000000 0.845008 Al\n0.666666 0.333332 0.748759 Al\n0.666666 0.333332 0.950992 Al\n0.333332 0.666666 0.138577 C\n0.666666 0.333332 0.638577 C\n0.666666 0.333332 0.858933 C\n0.333332 0.666666 0.358933 C\n0.000000 0.000000 0.498756 C\n0.000000 0.000000 0.998756 C\n0.000000 0.000000 0.248756 N\n0.000000 0.000000 0.748756 N\n",
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{
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"created_at": "2022-09-04T14:38:29.269830Z",
"updated_at": "2022-09-04T14:38:29.269861Z",
"structure_string": "Al6 C3 N2\n1.0\n3.260769 0.005283 13.268744\n1.610949 2.835046 13.268744\n0.009061 0.005283 13.663531\nAl C N\n6 3 2\ndirect\n0.308459 0.308459 0.308459 Al\n0.912544 0.912543 0.912543 Al\n0.189135 0.189134 0.189134 Al\n0.810217 0.810216 0.810216 Al\n0.086801 0.086801 0.086801 Al\n0.690884 0.690883 0.690883 Al\n0.999673 0.999673 0.999672 C\n0.134525 0.134525 0.134525 C\n0.864822 0.864821 0.864821 C\n0.736020 0.736020 0.736020 N\n0.263324 0.263324 0.263324 N\n",
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"formula_full": "Al6 C3 N2",
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},
{
"id": "jvasp-86283",
"created_at": "2022-09-04T14:35:41.632646Z",
"updated_at": "2022-09-04T14:35:41.632670Z",
"structure_string": "Al10 C6 N2\n1.0\n3.308163 0.000000 0.000000\n-1.654081 2.864953 -0.000000\n0.000000 -0.000000 21.876318\nAl C N\n10 6 2\ndirect\n0.000000 0.000000 0.159120 Al\n0.000000 0.000000 0.847607 Al\n0.666666 0.333333 0.952871 Al\n0.000000 0.000000 0.659120 Al\n0.000000 0.000000 0.347607 Al\n0.333333 0.666666 0.262570 Al\n0.333333 0.666666 0.452871 Al\n0.666666 0.333333 0.762570 Al\n0.666666 0.333333 0.544560 Al\n0.333333 0.666666 0.044560 Al\n0.000000 0.000000 0.748890 C\n0.666666 0.333333 0.865872 C\n0.000000 0.000000 0.248890 C\n0.000000 0.000000 0.002039 C\n0.333333 0.666666 0.365872 C\n0.000000 0.000000 0.502039 C\n0.666666 0.333333 0.629470 N\n0.333333 0.666666 0.129470 N\n",
"nsites": 18,
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"formula_full": "Al10 C6 N2",
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{
"id": "jvasp-59542",
"created_at": "2022-09-04T14:37:39.582123Z",
"updated_at": "2022-09-04T14:37:39.582150Z",
"structure_string": "Al8 Mo12 C4\n1.0\n6.893456 0.000000 0.000000\n-0.000000 6.893456 -0.000000\n0.000000 0.000000 6.893456\nAl Mo C\n8 12 4\ndirect\n0.566508 0.433493 0.933493 Al\n0.683493 0.683493 0.683493 Al\n0.933493 0.566508 0.433493 Al\n0.433493 0.933493 0.566508 Al\n0.183493 0.816508 0.316507 Al\n0.816508 0.316507 0.183493 Al\n0.316507 0.183493 0.816508 Al\n0.066507 0.066507 0.066507 Al\n0.125000 0.201849 0.451849 Mo\n0.375000 0.798151 0.951850 Mo\n0.875001 0.701849 0.048151 Mo\n0.201849 0.451849 0.125000 Mo\n0.798151 0.951850 0.375000 Mo\n0.048151 0.875001 0.701849 Mo\n0.951850 0.375000 0.798151 Mo\n0.298151 0.548151 0.625000 Mo\n0.548151 0.625000 0.298151 Mo\n0.701849 0.048151 0.875001 Mo\n0.625000 0.298151 0.548151 Mo\n0.451849 0.125000 0.201849 Mo\n0.625000 0.875001 0.125000 C\n0.875001 0.125000 0.625000 C\n0.125000 0.625000 0.875001 C\n0.375000 0.375000 0.375000 C\n",
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],
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"formula_full": "Al8 Mo12 C4",
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{
"id": "jvasp-15414",
"created_at": "2022-09-04T14:36:48.728249Z",
"updated_at": "2022-09-04T14:36:48.728270Z",
"structure_string": "Mn3 Al1 C1\n1.0\n3.806165 0.000000 -0.000000\n0.000000 3.806165 -0.000000\n-0.000000 0.000000 3.806165\nMn Al C\n3 1 1\ndirect\n0.000000 0.500001 0.500001 Mn\n0.500001 0.500001 0.000000 Mn\n0.500001 0.000000 0.500001 Mn\n0.000000 0.000000 0.000000 Al\n0.500001 0.500001 0.500001 C\n",
"nsites": 5,
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"formula_full": "Mn3 Al1 C1",
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"spacegroup": 221
},
{
"id": "jvasp-8206",
"created_at": "2022-09-04T14:38:10.284725Z",
"updated_at": "2022-09-04T14:38:10.284755Z",
"structure_string": "Mg1 Al2 C2\n1.0\n1.694735 -2.935367 0.000000\n1.694735 2.935367 -0.000000\n-0.000000 -0.000000 5.816266\nMg Al C\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.333331 0.666666 0.349319 Al\n0.666666 0.333331 0.650682 Al\n0.666666 0.333331 0.269821 C\n0.333331 0.666666 0.730179 C\n",
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},
{
"id": "jvasp-32751",
"created_at": "2022-09-04T14:37:16.790967Z",
"updated_at": "2022-09-04T14:37:16.790985Z",
"structure_string": "Al4 V2 Cl16\n1.0\n6.856994 0.000000 3.009971\n3.121018 8.420237 2.205451\n-0.079674 -0.081759 9.496923\nAl V Cl\n4 2 16\ndirect\n0.164960 0.644780 0.535508 Al\n0.345248 0.855221 0.964491 Al\n0.835040 0.355221 0.464492 Al\n0.654753 0.144779 0.035508 Al\n-0.009684 0.750000 0.250000 V\n0.009685 0.250000 0.750000 V\n0.163553 0.455171 0.721353 Cl\n0.852599 0.789890 0.529138 Cl\n0.702232 0.452831 0.688890 Cl\n0.659922 0.955171 0.221353 Cl\n0.147401 0.210110 0.470862 Cl\n0.340078 0.044829 0.778646 Cl\n0.843954 0.047169 0.811109 Cl\n0.828373 0.289890 0.029138 Cl\n0.297769 0.547170 0.311109 Cl\n0.655842 0.721853 0.948641 Cl\n0.156046 0.952831 0.188890 Cl\n0.171627 0.710110 0.970861 Cl\n0.673663 0.221853 0.448642 Cl\n0.326337 0.778147 0.551357 Cl\n0.344158 0.278147 0.051358 Cl\n0.836448 0.544830 0.278646 Cl\n",
"nsites": 22,
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"elements": [
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],
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"density": 2.342584116117892,
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"formula_full": "Al4 V2 Cl16",
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},
{
"id": "jvasp-39280",
"created_at": "2022-09-04T14:37:57.368938Z",
"updated_at": "2022-09-04T14:37:57.368967Z",
"structure_string": "Lu2 Al6 C6\n1.0\n1.700147 -2.944740 0.000000\n1.700147 2.944740 -0.000000\n0.000000 0.000000 17.156152\nLu Al C\n2 6 6\ndirect\n0.000000 0.000000 0.000000 Lu\n0.000000 0.000000 0.500000 Lu\n0.333334 0.666668 0.131751 Al\n0.666668 0.333334 0.250000 Al\n0.333334 0.666668 0.368249 Al\n0.666668 0.333334 0.631751 Al\n0.333334 0.666668 0.750000 Al\n0.666668 0.333334 0.868249 Al\n0.666668 0.333334 0.090038 C\n0.333334 0.666668 0.250000 C\n0.666668 0.333334 0.409962 C\n0.333334 0.666668 0.590037 C\n0.666668 0.333334 0.750000 C\n0.333334 0.666668 0.909962 C\n",
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"elements": [
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"density": 5.644102788211062,
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"volume": 171.7842369373019,
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"formula_full": "Lu2 Al6 C6",
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{
"id": "jvasp-63715",
"created_at": "2022-09-04T14:35:47.963522Z",
"updated_at": "2022-09-04T14:35:47.963550Z",
"structure_string": "Al4 Tl4 Cl16\n1.0\n7.005047 -0.000000 0.000000\n-0.000000 9.269492 0.000000\n0.000000 0.000000 10.643140\nAl Tl Cl\n4 4 16\ndirect\n0.750000 0.688160 0.434425 Al\n0.250000 0.188160 0.065575 Al\n0.250000 0.311840 0.565575 Al\n0.750000 0.811840 0.934424 Al\n0.250000 0.704845 0.189761 Tl\n0.750000 0.204845 0.310239 Tl\n0.750000 0.295155 0.810239 Tl\n0.250000 0.795155 0.689761 Tl\n0.250000 0.059228 0.897470 Cl\n0.750000 0.559227 0.602530 Cl\n0.750000 0.940258 0.765555 Cl\n0.250000 0.440258 0.734445 Cl\n0.250000 0.059742 0.234445 Cl\n0.750000 0.559742 0.265555 Cl\n0.498320 0.326370 0.069038 Cl\n0.501680 0.673630 0.930962 Cl\n0.998321 0.673630 0.930962 Cl\n0.001680 0.173630 0.569038 Cl\n0.250000 0.440772 0.397470 Cl\n0.498320 0.173630 0.569038 Cl\n0.001680 0.326370 0.069038 Cl\n0.998321 0.826370 0.430962 Cl\n0.501680 0.826370 0.430962 Cl\n0.750000 0.940772 0.102530 Cl\n",
"nsites": 24,
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],
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{
"id": "jvasp-101374",
"created_at": "2022-09-04T14:36:32.017805Z",
"updated_at": "2022-09-04T14:36:32.017827Z",
"structure_string": "Al4 Te4 Cl28\n1.0\n6.381655 -0.023744 -0.752371\n-1.127175 8.194025 -0.455226\n0.132808 0.069729 19.340826\nAl Te Cl\n4 4 28\ndirect\n0.307884 0.098354 0.396503 Al\n0.709723 0.334589 0.877226 Al\n0.692117 0.901647 0.603497 Al\n0.290278 0.665412 0.122774 Al\n0.714863 0.274899 0.108893 Te\n0.253060 0.281999 0.619801 Te\n0.285137 0.725102 0.891107 Te\n0.746941 0.718002 0.380199 Te\n0.613700 0.049980 0.367980 Cl\n0.134190 0.966874 0.878733 Cl\n0.381725 0.147528 0.056160 Cl\n0.661219 0.130760 0.804137 Cl\n0.117092 0.163020 0.309053 Cl\n0.624303 0.291116 0.222674 Cl\n0.865408 0.740441 0.270033 Cl\n0.093866 0.715211 0.029033 Cl\n0.829666 0.113553 0.553218 Cl\n0.860847 0.550011 0.832395 Cl\n0.405695 0.587532 0.338063 Cl\n0.112703 0.526114 0.598807 Cl\n0.627227 0.696491 0.524856 Cl\n0.170335 0.886448 0.446782 Cl\n0.139154 0.449990 0.167605 Cl\n0.411185 0.392992 0.909157 Cl\n0.386300 0.950021 0.632020 Cl\n0.882909 0.836981 0.690947 Cl\n0.906134 0.284790 0.970967 Cl\n0.375697 0.708885 0.777326 Cl\n0.588816 0.607009 0.090843 Cl\n0.865811 0.033127 0.121267 Cl\n0.134593 0.259560 0.729967 Cl\n0.338781 0.869241 0.195863 Cl\n0.618275 0.852473 0.943840 Cl\n0.594306 0.412469 0.661937 Cl\n0.887298 0.473887 0.401193 Cl\n0.372774 0.303510 0.475144 Cl\n",
"nsites": 36,
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],
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"volume": 1011.9239162774958,
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"formula_full": "Al4 Te4 Cl28",
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"spacegroup": 2
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{
"id": "jvasp-51060",
"created_at": "2022-09-04T14:38:18.366999Z",
"updated_at": "2022-09-04T14:38:18.367010Z",
"structure_string": "Sr2 Al4 Cl16\n1.0\n0.000000 6.663361 -0.141576\n6.981003 0.000000 0.000000\n0.000000 -0.664589 -12.907783\nSr Al Cl\n2 4 16\ndirect\n0.500000 0.171032 0.750000 Sr\n0.500000 0.828968 0.250000 Sr\n0.683095 0.256559 0.413491 Al\n0.683095 0.743441 0.913491 Al\n0.316905 0.743441 0.586509 Al\n0.316905 0.256559 0.086509 Al\n0.146045 0.008489 0.132572 Cl\n0.735706 0.670680 0.074535 Cl\n0.853954 0.991511 0.867428 Cl\n0.624890 0.829044 0.617283 Cl\n0.230848 0.506324 0.173290 Cl\n0.375110 0.170956 0.382717 Cl\n0.769151 0.493675 0.826710 Cl\n0.230848 0.493675 0.673290 Cl\n0.264294 0.329319 0.925465 Cl\n0.146045 0.991511 0.632572 Cl\n0.624890 0.170956 0.117283 Cl\n0.375110 0.829044 0.882717 Cl\n0.735706 0.329319 0.574535 Cl\n0.769152 0.506324 0.326710 Cl\n0.264294 0.670680 0.425465 Cl\n0.853954 0.008489 0.367428 Cl\n",
"nsites": 22,
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"elements": [
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],
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"formula_full": "Sr2 Al4 Cl16",
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}
]
}