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{
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"results": [
{
"id": "mp-1113316",
"created_at": "2022-09-04T14:45:25.113496Z",
"structure_string": "Na2 Li1 Lu1 Cl6\n1.0\n0.000000 5.075835 5.075835\n5.075835 0.000000 5.075835\n5.075835 5.075835 0.000000\nNa Li Lu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Lu\n0.748043 0.251957 0.251957 Cl\n0.251957 0.251957 0.748043 Cl\n0.251957 0.748043 0.748043 Cl\n0.251957 0.748043 0.251957 Cl\n0.748043 0.251957 0.748043 Cl\n0.748043 0.748043 0.251957 Cl\n",
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{
"id": "mp-1094454",
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{
"id": "mp-1016322",
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"structure_string": "Sr2 Mg12 Cd2\n1.0\n5.223789 0.000000 0.000000\n0.000000 6.811949 0.000000\n0.000000 0.000000 11.760569\nSr Mg Cd\n2 12 2\ndirect\n0.000000 0.500000 0.669657 Sr\n0.000000 0.000000 0.169657 Sr\n0.000000 0.255509 0.919629 Mg\n0.000000 0.744491 0.919629 Mg\n0.000000 0.500000 0.161767 Mg\n0.500000 0.266135 0.076830 Mg\n0.500000 0.733865 0.076830 Mg\n0.500000 0.500000 0.332869 Mg\n0.000000 0.755509 0.419629 Mg\n0.000000 0.244491 0.419629 Mg\n0.000000 0.000000 0.661767 Mg\n0.500000 0.766135 0.576830 Mg\n0.500000 0.233865 0.576830 Mg\n0.500000 0.000000 0.832869 Mg\n0.500000 0.500000 0.842789 Cd\n0.500000 0.000000 0.342789 Cd\n",
"nsites": 16,
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"density": 2.744702875629348,
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"formula_full": "Sr2 Mg12 Cd2",
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"updated_at": "2021-11-28T01:36:35.450000Z",
"spacegroup": 38
},
{
"id": "mp-1113185",
"created_at": "2022-09-04T14:45:10.103316Z",
"structure_string": "Cs2 Ga1 Cu1 Cl6\n1.0\n0.000000 5.075905 5.075905\n5.075905 0.000000 5.075905\n5.075905 5.075905 0.000000\nCs Ga Cu Cl\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 Cu\n0.756754 0.243246 0.243246 Cl\n0.243246 0.243246 0.756754 Cl\n0.243246 0.756754 0.756754 Cl\n0.243246 0.756754 0.243246 Cl\n0.756754 0.243246 0.756754 Cl\n0.756754 0.756754 0.243246 Cl\n",
"nsites": 10,
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"elements": [
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],
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"volume": 261.55947173454365,
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"formula_full": "Cs2 Ga1 Cu1 Cl6",
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"spacegroup": 225
},
{
"id": "mp-568746",
"created_at": "2022-09-04T14:42:50.436852Z",
"structure_string": "Bi4 Pd2\n1.0\n2.170083 6.469045 0.000000\n-2.170083 6.469045 0.000000\n0.000000 1.253339 5.589550\nBi Pd\n4 2\ndirect\n0.156060 0.156060 0.684201 Bi\n0.843940 0.843940 0.315799 Bi\n0.575203 0.575203 0.204906 Bi\n0.424797 0.424797 0.795094 Bi\n0.225318 0.225318 0.169905 Pd\n0.774682 0.774682 0.830095 Pd\n",
"nsites": 6,
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"updated_at": "2021-11-28T01:35:52.346000Z",
"spacegroup": 12
},
{
"id": "mp-1021292",
"created_at": "2022-09-04T14:41:32.970251Z",
"structure_string": "K2 Mg12 Cd2\n1.0\n5.367335 0.000000 0.000000\n0.000000 6.665950 0.000000\n0.000000 0.000000 11.697580\nK Mg Cd\n2 12 2\ndirect\n0.500000 0.000000 0.166845 K\n0.500000 0.500000 0.666845 K\n0.500000 0.246416 0.417208 Mg\n0.500000 0.753584 0.417208 Mg\n0.000000 0.739153 0.080562 Mg\n0.000000 0.260847 0.080562 Mg\n0.000000 0.000000 0.340429 Mg\n0.000000 0.500000 0.333220 Mg\n0.500000 0.746416 0.917208 Mg\n0.500000 0.253584 0.917208 Mg\n0.000000 0.239153 0.580562 Mg\n0.000000 0.760847 0.580562 Mg\n0.000000 0.500000 0.840429 Mg\n0.000000 0.000000 0.833220 Mg\n0.500000 0.500000 0.163962 Cd\n0.500000 0.000000 0.663962 Cd\n",
"nsites": 16,
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"elements": [
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],
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"density": 2.3594709223575467,
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"volume": 418.5205412001063,
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"formula_full": "K2 Mg12 Cd2",
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"updated_at": "2021-11-28T01:35:12.339000Z",
"spacegroup": 38
},
{
"id": "mp-1187619",
"created_at": "2022-09-04T14:44:50.938368Z",
"structure_string": "Tl6 H2\n1.0\n7.218819 0.000000 0.000000\n-3.609409 6.251681 0.000000\n0.000000 0.000000 4.636910\nTl H\n6 2\ndirect\n0.183719 0.367437 0.250000 Tl\n0.632562 0.816280 0.250000 Tl\n0.183719 0.816280 0.250000 Tl\n0.816281 0.632562 0.750000 Tl\n0.367437 0.183719 0.750000 Tl\n0.816280 0.183719 0.750000 Tl\n0.333334 0.666667 0.750000 H\n0.666667 0.333332 0.250000 H\n",
"nsites": 8,
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"elements": [
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"H"
],
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"density": 9.74692141477936,
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"volume": 209.26260569461212,
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"formula_full": "Tl6 H2",
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},
{
"id": "mp-1209817",
"created_at": "2022-09-04T14:47:08.916909Z",
"structure_string": "Re4 H4 C4 S4 N8 Cl12 O4\n1.0\n7.844242 0.000000 0.000000\n0.000000 11.363811 0.000000\n0.000000 0.000000 11.737821\nRe H C S N Cl O\n4 4 4 4 8 12 4\ndirect\n0.301898 0.154123 0.656140 Re\n0.698102 0.845877 0.156140 Re\n0.698102 0.654123 0.656140 Re\n0.301898 0.345877 0.156140 Re\n0.266445 0.218841 0.527050 H\n0.733555 0.781159 0.027050 H\n0.733555 0.718841 0.527050 H\n0.266445 0.281159 0.027050 H\n0.155702 0.529831 0.933314 C\n0.844298 0.470169 0.433314 C\n0.844298 0.029831 0.933314 C\n0.155702 0.970169 0.433314 C\n0.074579 0.080100 0.498412 S\n0.925421 0.919900 0.998412 S\n0.925421 0.580100 0.498412 S\n0.074579 0.419900 0.998412 S\n0.187496 0.593409 0.833346 N\n0.812504 0.406591 0.333346 N\n0.812504 0.093409 0.833346 N\n0.187496 0.906591 0.333346 N\n0.262676 0.627886 0.925492 N\n0.737324 0.372114 0.425492 N\n0.737324 0.127886 0.925492 N\n0.262676 0.872114 0.425492 N\n0.520615 0.076127 0.548549 Cl\n0.479385 0.923873 0.048549 Cl\n0.479385 0.576127 0.548549 Cl\n0.520615 0.423873 0.048549 Cl\n0.484346 0.282700 0.738680 Cl\n0.515654 0.717300 0.238680 Cl\n0.515654 0.782700 0.738680 Cl\n0.484346 0.217300 0.238680 Cl\n0.075764 0.275578 0.702255 Cl\n0.924236 0.724422 0.202255 Cl\n0.924236 0.775578 0.702255 Cl\n0.075764 0.224422 0.202255 Cl\n0.246374 0.028519 0.730562 O\n0.753626 0.971481 0.230562 O\n0.753626 0.528519 0.730562 O\n0.246374 0.471481 0.230562 O\n",
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{
"id": "mp-1202194",
"created_at": "2022-09-04T14:40:18.040048Z",
"structure_string": "Cs4 Hg2 B18 Se18\n1.0\n10.112744 0.000000 0.000000\n-4.812516 9.836251 0.000000\n-0.094280 -2.244994 11.044745\nCs Hg B Se\n4 2 18 18\ndirect\n0.204736 0.826567 0.998120 Cs\n0.795264 0.173433 0.001880 Cs\n0.823289 0.654381 0.485243 Cs\n0.176711 0.345619 0.514757 Cs\n0.672020 0.674892 0.925480 Hg\n0.327980 0.325108 0.074520 Hg\n0.486689 0.839795 0.450321 B\n0.513311 0.160205 0.549679 B\n0.340326 0.880303 0.414320 B\n0.659674 0.119697 0.585680 B\n0.513943 0.956493 0.351195 B\n0.486057 0.043507 0.648805 B\n0.660337 0.992818 0.461651 B\n0.339663 0.007182 0.538349 B\n0.577636 0.939570 0.596136 B\n0.422364 0.060430 0.403864 B\n0.382093 0.871584 0.566391 B\n0.617907 0.128416 0.433609 B\n0.256675 0.589791 0.288071 B\n0.743325 0.410209 0.711929 B\n0.434781 0.720316 0.741847 B\n0.565219 0.279684 0.258153 B\n0.745938 0.908225 0.220150 B\n0.254062 0.091775 0.779850 B\n0.448702 0.644193 0.376802 Se\n0.551298 0.355807 0.623198 Se\n0.166999 0.720399 0.308089 Se\n0.833001 0.279601 0.691911 Se\n0.552227 0.899996 0.179833 Se\n0.447773 0.100004 0.820167 Se\n0.835462 0.974882 0.390228 Se\n0.164538 0.025118 0.609772 Se\n0.638006 0.848797 0.714041 Se\n0.361994 0.151203 0.285959 Se\n0.262787 0.720646 0.657098 Se\n0.737213 0.279354 0.342902 Se\n0.140158 0.407391 0.187734 Se\n0.859842 0.592609 0.812266 Se\n0.863902 0.864639 0.100450 Se\n0.136098 0.135361 0.899550 Se\n0.395963 0.593273 0.853041 Se\n0.604037 0.406727 0.146959 Se\n",
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{
"id": "mp-640791",
"created_at": "2022-09-04T14:47:57.796640Z",
"structure_string": "Nd20 Si16\n1.0\n7.778011 0.000000 0.000000\n0.000000 7.971768 0.000000\n0.000000 0.000000 15.187477\nNd Si\n20 16\ndirect\n0.139446 0.513216 0.750000 Nd\n0.811281 0.318766 0.621973 Nd\n0.461902 0.686650 0.899534 Nd\n0.961902 0.813350 0.899534 Nd\n0.188719 0.681234 0.121973 Nd\n0.688719 0.818766 0.121973 Nd\n0.311281 0.181234 0.878027 Nd\n0.188719 0.681234 0.378027 Nd\n0.038098 0.186650 0.100466 Nd\n0.311281 0.181234 0.621973 Nd\n0.860554 0.486784 0.250000 Nd\n0.360554 0.013216 0.250000 Nd\n0.538098 0.313350 0.399534 Nd\n0.811281 0.318766 0.878027 Nd\n0.961902 0.813350 0.600466 Nd\n0.461902 0.686650 0.600466 Nd\n0.038098 0.186650 0.399534 Nd\n0.688719 0.818766 0.378027 Nd\n0.639446 0.986784 0.750000 Nd\n0.538098 0.313350 0.100466 Nd\n0.482014 0.599045 0.250000 Si\n0.250189 0.379850 0.250000 Si\n0.865073 0.525188 0.459335 Si\n0.517986 0.400955 0.750000 Si\n0.634927 0.025188 0.959335 Si\n0.017986 0.099045 0.750000 Si\n0.749811 0.620150 0.750000 Si\n0.750189 0.120150 0.250000 Si\n0.365073 0.974812 0.459335 Si\n0.982014 0.900955 0.250000 Si\n0.365073 0.974812 0.040665 Si\n0.634927 0.025188 0.540665 Si\n0.134927 0.474812 0.959335 Si\n0.134927 0.474812 0.540665 Si\n0.865073 0.525188 0.040665 Si\n0.249811 0.879850 0.750000 Si\n",
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{
"id": "mp-1210334",
"created_at": "2022-09-04T14:43:03.516627Z",
"structure_string": "Nd4 N8 Cl20\n1.0\n0.000000 0.000000 -10.242059\n0.000000 -8.333170 0.000000\n-9.807860 0.000000 0.000000\nNd N Cl\n4 8 20\ndirect\n0.550022 0.750000 0.968684 Nd\n0.449978 0.250000 0.031316 Nd\n0.050022 0.250000 0.531316 Nd\n0.949978 0.750000 0.468684 Nd\n0.451845 0.412477 0.594659 N\n0.548155 0.587523 0.405341 N\n0.951845 0.587523 0.905341 N\n0.548155 0.912477 0.405341 N\n0.048155 0.412477 0.094659 N\n0.451845 0.087523 0.594659 N\n0.048155 0.087523 0.094659 N\n0.951845 0.912477 0.905341 N\n0.416927 0.750000 0.741109 Cl\n0.583073 0.250000 0.258891 Cl\n0.916927 0.250000 0.758891 Cl\n0.083073 0.750000 0.241109 Cl\n0.646273 0.447949 0.929126 Cl\n0.353727 0.552051 0.070874 Cl\n0.146273 0.552051 0.570874 Cl\n0.353727 0.947949 0.070874 Cl\n0.853727 0.447949 0.429126 Cl\n0.646273 0.052051 0.929126 Cl\n0.853727 0.052051 0.429126 Cl\n0.146273 0.947949 0.570874 Cl\n0.000646 0.750000 0.958028 Cl\n0.999354 0.250000 0.041972 Cl\n0.500646 0.250000 0.541972 Cl\n0.499354 0.750000 0.458028 Cl\n0.788763 0.750000 0.735813 Cl\n0.211237 0.250000 0.264187 Cl\n0.288763 0.250000 0.764187 Cl\n0.711237 0.750000 0.235813 Cl\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Nd",
"N",
"Cl"
],
"chemical_system": "Cl-N-Nd",
"density": 2.7733829707214204,
"density_atomic": 0.03822770318835319,
"volume": 837.0892659266387,
"volume_molar": 15.753341837797784,
"formula_full": "Nd4 N8 Cl20",
"formula_reduced": "NdN2Cl5",
"formula_anonymous": "AB2C5",
"energy": -138.62477719,
"energy_per_atom": -4.3320242871875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -126.34477719,
"band_gap": 0.1397,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.083000Z",
"spacegroup": 62
},
{
"id": "mp-686087",
"created_at": "2022-09-04T14:40:57.941809Z",
"structure_string": "Li9 Nb48 Cl120\n1.0\n17.156129 0.015961 -6.075478\n-8.554104 14.813155 -6.046733\n-0.009026 0.019514 18.200851\nLi Nb Cl\n9 48 120\ndirect\n0.249699 0.414127 0.163926 Li\n0.585625 0.249848 0.835515 Li\n0.413360 0.163574 0.249497 Li\n0.807664 0.750895 0.558117 Li\n0.943565 0.750624 0.693841 Li\n0.750296 0.192725 0.443061 Li\n0.807323 0.556913 0.249509 Li\n0.943343 0.693085 0.249843 Li\n0.749948 0.056911 0.306789 Li\n0.025515 0.482813 0.891999 Nb\n0.109880 0.976882 0.518942 Nb\n0.020184 0.475543 0.609831 Nb\n0.109859 0.633122 0.590924 Nb\n0.091503 0.457225 0.483943 Nb\n0.392033 0.908948 0.866255 Nb\n0.091521 0.134472 0.607739 Nb\n0.020444 0.044640 0.410350 Nb\n0.390998 0.980651 0.523812 Nb\n0.132298 0.608730 0.089501 Nb\n0.041907 0.411701 0.016306 Nb\n0.366510 0.410218 0.890887 Nb\n0.589454 0.980671 0.956422 Nb\n0.024088 0.042377 0.132901 Nb\n0.041214 0.130321 0.025548 Nb\n0.408878 0.890960 0.367100 Nb\n0.516132 0.908678 0.542087 Nb\n0.366797 0.457684 0.476408 Nb\n0.522142 0.393526 0.981217 Nb\n0.540937 0.517821 0.908562 Nb\n0.129533 0.023890 0.042279 Nb\n0.522606 0.632639 0.542815 Nb\n0.542067 0.525644 0.633606 Nb\n0.516574 0.104441 0.974068 Nb\n0.481002 0.890044 0.022170 Nb\n0.458445 0.476725 0.371087 Nb\n0.474403 0.369923 0.459151 Nb\n0.866924 0.974887 0.958457 Nb\n0.457258 0.482880 0.087346 Nb\n0.473995 0.607617 0.016428 Nb\n0.628543 0.542007 0.525824 Nb\n0.480849 0.087526 0.458511 Nb\n0.587742 0.104655 0.629687 Nb\n0.957830 0.868090 0.977466 Nb\n0.974636 0.958451 0.871816 Nb\n0.410615 0.015476 0.040229 Nb\n0.628079 0.587506 0.102778 Nb\n0.958520 0.590662 0.980808 Nb\n0.869804 0.395041 0.910692 Nb\n0.602948 0.015225 0.474510 Nb\n0.985300 0.958674 0.588170 Nb\n0.913960 0.871662 0.395722 Nb\n0.603742 0.086264 0.127413 Nb\n0.914089 0.542711 0.518423 Nb\n0.897591 0.370462 0.413925 Nb\n0.985287 0.526521 0.397351 Nb\n0.897520 0.026960 0.483724 Nb\n0.975935 0.517343 0.103879 Nb\n0.125009 0.984296 0.895869 Cl\n0.023681 0.709360 0.627639 Cl\n0.106126 0.921399 0.626298 Cl\n0.023512 0.814765 0.396172 Cl\n0.051419 0.448667 0.749883 Cl\n0.078307 0.374319 0.894875 Cl\n0.183675 0.605817 0.979373 Cl\n0.269630 0.910681 0.895858 Cl\n0.141925 0.627162 0.730458 Cl\n0.014776 0.103370 0.873931 Cl\n0.106010 0.684651 0.479666 Cl\n0.250223 0.948764 0.551046 Cl\n0.249740 0.800895 0.698438 Cl\n0.127443 0.420876 0.606196 Cl\n0.088380 0.485273 0.359458 Cl\n0.103504 0.873034 0.014910 Cl\n0.088529 0.103249 0.729285 Cl\n0.357328 0.768232 0.872239 Cl\n0.014907 0.411669 0.141112 Cl\n0.103720 0.731456 0.088935 Cl\n0.230623 0.603612 0.588538 Cl\n0.125635 0.641303 0.229983 Cl\n0.295707 0.373495 0.978618 Cl\n0.316210 0.521071 0.894352 Cl\n0.199021 0.301859 0.750325 Cl\n0.268803 0.857825 0.372690 Cl\n0.127399 0.206402 0.521342 Cl\n0.394247 0.873561 0.578113 Cl\n0.199637 0.397516 0.448903 Cl\n0.051337 0.102691 0.301652 Cl\n0.479025 0.873409 0.795416 Cl\n0.373524 0.979156 0.295896 Cl\n0.077978 0.204075 0.183530 Cl\n0.589106 0.857777 0.985456 Cl\n0.230969 0.127242 0.642288 Cl\n0.103490 0.302112 0.051033 Cl\n0.300857 0.749896 0.198626 Cl\n0.206293 0.521583 0.127236 Cl\n0.372778 0.269354 0.857827 Cl\n0.514903 0.642301 0.911002 Cl\n0.371965 0.603627 0.514550 Cl\n0.142324 0.014647 0.411398 Cl\n0.396042 0.410796 0.768816 Cl\n0.410830 0.768858 0.396142 Cl\n0.396009 0.485072 0.627156 Cl\n0.293834 0.421182 0.315243 Cl\n0.374197 0.894240 0.077956 Cl\n0.316354 0.295935 0.421782 Cl\n0.698304 0.948660 0.897474 Cl\n0.551023 0.800617 0.602482 Cl\n0.183027 0.077658 0.204365 Cl\n0.577996 0.683881 0.704423 Cl\n0.394631 0.020530 0.816488 Cl\n0.520340 0.894641 0.316614 Cl\n0.203732 0.182844 0.077794 Cl\n0.485143 0.627138 0.396620 Cl\n0.602174 0.551238 0.801261 Cl\n0.552288 0.251138 0.948937 Cl\n0.578834 0.393821 0.872591 Cl\n0.357738 0.088537 0.485061 Cl\n0.641210 0.911107 0.514785 Cl\n0.421996 0.605385 0.125677 Cl\n0.448669 0.750198 0.051019 Cl\n0.396743 0.447827 0.199019 Cl\n0.514791 0.373595 0.603883 Cl\n0.795751 0.816035 0.922134 Cl\n0.478425 0.105660 0.684650 Cl\n0.603421 0.976678 0.183946 Cl\n0.420923 0.315384 0.294137 Cl\n0.816645 0.921877 0.796332 Cl\n0.447650 0.198356 0.396651 Cl\n0.301942 0.050891 0.103325 Cl\n0.683971 0.707573 0.580733 Cl\n0.626423 0.105253 0.922221 Cl\n0.703543 0.578088 0.683268 Cl\n0.604431 0.515715 0.374941 Cl\n0.588301 0.229678 0.603169 Cl\n0.604181 0.588564 0.229035 Cl\n0.859828 0.984705 0.588219 Cl\n0.625931 0.396848 0.485158 Cl\n0.484949 0.358714 0.088610 Cl\n0.626600 0.730083 0.141090 Cl\n0.796277 0.479951 0.874115 Cl\n0.697954 0.249059 0.801364 Cl\n0.897901 0.698662 0.948990 Cl\n0.771618 0.874982 0.359756 Cl\n0.411634 0.140941 0.014889 Cl\n0.919159 0.792544 0.816045 Cl\n0.625528 0.020256 0.703623 Cl\n0.521383 0.127031 0.206046 Cl\n0.806634 0.613484 0.556730 Cl\n0.943123 0.886355 0.693036 Cl\n0.603178 0.126525 0.419424 Cl\n0.873113 0.791575 0.476695 Cl\n0.729404 0.140477 0.624834 Cl\n0.806773 0.693312 0.249978 Cl\n0.683759 0.476702 0.103088 Cl\n0.703588 0.625635 0.020001 Cl\n0.873663 0.358911 0.769911 Cl\n0.772047 0.396860 0.412077 Cl\n0.896280 0.270481 0.911398 Cl\n0.985420 0.589195 0.857436 Cl\n0.641147 0.229487 0.126211 Cl\n0.911717 0.896373 0.270810 Cl\n0.896334 0.126547 0.985179 Cl\n0.911796 0.515171 0.640664 Cl\n0.873166 0.581815 0.396279 Cl\n0.749876 0.193146 0.306576 Cl\n0.749825 0.056687 0.443170 Cl\n0.896406 0.313993 0.523432 Cl\n0.985067 0.896047 0.127853 Cl\n0.860074 0.375283 0.272064 Cl\n0.729817 0.088506 0.104167 Cl\n0.817214 0.395106 0.020963 Cl\n0.919440 0.626810 0.103337 Cl\n0.943169 0.556759 0.249914 Cl\n0.979720 0.184489 0.605482 Cl\n0.896480 0.081916 0.373220 Cl\n0.979942 0.295147 0.374334 Cl\n0.872957 0.014726 0.104117 Cl\n",
"nsites": 177,
"nelements": 3,
"elements": [
"Li",
"Nb",
"Cl"
],
"chemical_system": "Cl-Li-Nb",
"density": 3.1474695726778537,
"density_atomic": 0.03822720144351396,
"volume": 4630.210774428316,
"volume_molar": 15.753548605692616,
"formula_full": "Li9 Nb48 Cl120",
"formula_reduced": "Li3(Nb2Cl5)8",
"formula_anonymous": "A3B16C40",
"energy": -1026.87184991,
"energy_per_atom": -5.80153587519774,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -953.19184991,
"band_gap": 0.0310000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999998,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09Z",
"spacegroup": 1
}
]
}