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{
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"results": [
{
"id": "mp-766475",
"created_at": "2022-09-04T14:39:35.424462Z",
"structure_string": "Li16 Si8 Ni8 O32\n1.0\n5.359281 0.000000 0.000000\n0.000000 10.450491 0.000000\n0.000000 0.000000 12.787082\nLi Si Ni O\n16 8 8 32\ndirect\n0.962336 0.970169 0.560050 Li\n0.457477 0.957151 0.941473 Li\n0.387604 0.217542 0.302602 Li\n0.880498 0.211927 0.194610 Li\n0.880498 0.288073 0.694610 Li\n0.387604 0.282458 0.802602 Li\n0.962336 0.529831 0.060050 Li\n0.457477 0.542849 0.441473 Li\n0.542523 0.457151 0.941473 Li\n0.037664 0.470169 0.560050 Li\n0.612396 0.717542 0.302602 Li\n0.119502 0.711927 0.194610 Li\n0.119502 0.788073 0.694610 Li\n0.612396 0.782458 0.802602 Li\n0.037664 0.029831 0.060050 Li\n0.542523 0.042849 0.441473 Li\n0.472860 0.031113 0.689713 Si\n0.032575 0.211375 0.438437 Si\n0.032575 0.288625 0.938437 Si\n0.472860 0.468887 0.189713 Si\n0.527140 0.531113 0.689713 Si\n0.967425 0.711375 0.438437 Si\n0.967425 0.788625 0.938437 Si\n0.527140 0.968887 0.189713 Si\n0.957321 0.037246 0.811774 Ni\n0.531289 0.213103 0.058877 Ni\n0.531289 0.286897 0.558877 Ni\n0.957321 0.462754 0.311774 Ni\n0.042679 0.537246 0.811774 Ni\n0.468711 0.713103 0.058877 Ni\n0.468711 0.786897 0.558877 Ni\n0.042679 0.962754 0.311774 Ni\n0.391528 0.027938 0.295671 O\n0.826959 0.007061 0.191262 O\n0.906301 0.068847 0.428513 O\n0.409201 0.038732 0.084896 O\n0.541914 0.186130 0.690122 O\n0.030229 0.220989 0.821323 O\n0.332899 0.194944 0.460980 O\n0.900247 0.202226 0.030427 O\n0.900247 0.297774 0.530427 O\n0.332899 0.305056 0.960980 O\n0.030229 0.279011 0.321324 O\n0.541914 0.313870 0.190122 O\n0.409201 0.461268 0.584896 O\n0.906301 0.431153 0.928513 O\n0.826959 0.492939 0.691262 O\n0.391528 0.472062 0.795671 O\n0.608472 0.527938 0.295671 O\n0.173041 0.507061 0.191262 O\n0.093699 0.568847 0.428513 O\n0.590799 0.538732 0.084896 O\n0.458086 0.686130 0.690122 O\n0.969771 0.720989 0.821323 O\n0.667101 0.694944 0.460980 O\n0.099753 0.702226 0.030427 O\n0.099753 0.797774 0.530427 O\n0.667101 0.805056 0.960980 O\n0.969771 0.779011 0.321324 O\n0.458086 0.813870 0.190122 O\n0.590799 0.961268 0.584896 O\n0.093699 0.931153 0.928513 O\n0.173041 0.992939 0.691262 O\n0.608472 0.972062 0.795671 O\n",
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],
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"volume": 716.1676086207524,
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"formula_full": "Li16 Si8 Ni8 O32",
"formula_reduced": "Li2SiNiO4",
"formula_anonymous": "ABC2D4",
"energy": -431.91795013,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.956000Z",
"spacegroup": 29
},
{
"id": "mp-1043996",
"created_at": "2022-09-04T14:43:11.350384Z",
"structure_string": "La2 Mg2 Mn2 Fe2 O12\n1.0\n5.479710 0.000008 0.000005\n0.000008 5.338525 -0.012936\n0.000007 -0.017695 7.650471\nLa Mg Mn Fe O\n2 2 2 2 12\ndirect\n0.033632 0.991971 0.250425 La\n0.466366 0.491973 0.750426 La\n0.554678 0.526226 0.250566 Mg\n0.945331 0.026223 0.750565 Mg\n0.502316 0.999425 0.499288 Mn\n0.997683 0.499418 0.999277 Mn\n0.499842 0.001292 0.002508 Fe\n0.000157 0.501286 0.502508 Fe\n0.019919 0.626964 0.755460 O\n0.194737 0.199645 0.942477 O\n0.203961 0.188601 0.557601 O\n0.296038 0.688600 0.057601 O\n0.305262 0.699644 0.442478 O\n0.480080 0.126964 0.255459 O\n0.543811 0.924016 0.744526 O\n0.727359 0.266047 0.551259 O\n0.733321 0.275819 0.945894 O\n0.766680 0.775819 0.445894 O\n0.772640 0.766046 0.051258 O\n0.956188 0.424015 0.244525 O\n",
"nsites": 20,
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"elements": [
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"Mn",
"Fe",
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],
"chemical_system": "Fe-La-Mg-Mn-O",
"density": 5.490405037928669,
"density_atomic": 0.08936457627296623,
"volume": 223.80232564309958,
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"formula_full": "La2 Mg2 Mn2 Fe2 O12",
"formula_reduced": "LaMgMnFeO6",
"formula_anonymous": "ABCDE6",
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"updated_at": "2021-11-28T01:36:01.785000Z",
"spacegroup": 7
},
{
"id": "mp-756177",
"created_at": "2022-09-04T14:47:59.712681Z",
"structure_string": "Li4 Zr1 Nb1 Te2 O12\n1.0\n5.262621 0.000000 0.000000\n-0.001345 5.573230 0.000000\n0.000012 -0.613041 7.630440\nLi Zr Nb Te O\n4 1 1 2 12\ndirect\n0.497187 0.941120 0.780120 Li\n0.504727 0.946548 0.277097 Li\n0.001340 0.436651 0.279178 Li\n0.997332 0.441674 0.778705 Li\n0.000722 0.993082 0.002758 Zr\n0.499480 0.494435 0.502909 Nb\n0.500538 0.497269 0.001656 Te\n0.999030 0.993211 0.501915 Te\n0.816569 0.329986 0.558199 O\n0.629854 0.511498 0.242814 O\n0.673614 0.822664 0.556851 O\n0.869385 0.020404 0.256385 O\n0.793175 0.680658 0.925874 O\n0.335311 0.807512 0.057892 O\n0.680863 0.204261 0.928218 O\n0.131070 0.012733 0.745637 O\n0.195424 0.330803 0.059771 O\n0.370997 0.511131 0.754473 O\n0.314627 0.194567 0.430021 O\n0.188751 0.687392 0.430728 O\n",
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],
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"formula_full": "Li4 Zr1 Nb1 Te2 O12",
"formula_reduced": "Li4ZrNb(TeO6)2",
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"updated_at": "2021-11-28T01:38:29.649000Z",
"spacegroup": 1
},
{
"id": "mp-541187",
"created_at": "2022-09-04T14:41:13.225287Z",
"structure_string": "Al8 C3 N4\n1.0\n18.554561 -1.617014 0.000000\n18.554561 1.617014 0.000000\n18.413640 0.000000 2.797202\nAl C N\n8 3 4\ndirect\n0.684120 0.684120 0.684120 Al\n0.315880 0.315880 0.315880 Al\n0.062420 0.062420 0.062420 Al\n0.937580 0.937580 0.937580 Al\n0.774468 0.774468 0.774468 Al\n0.225532 0.225532 0.225532 Al\n0.149957 0.149957 0.149957 Al\n0.850043 0.850043 0.850043 Al\n0.000000 0.000000 0.000000 C\n0.809900 0.809900 0.809900 C\n0.190100 0.190100 0.190100 C\n0.717451 0.717451 0.717451 N\n0.282549 0.282549 0.282549 N\n0.095837 0.095837 0.095837 N\n0.904163 0.904163 0.904163 N\n",
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"C",
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],
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"density": 3.0461852224563293,
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"volume": 167.84881874127723,
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"formula_full": "Al8 C3 N4",
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},
{
"id": "mp-1235238",
"created_at": "2022-09-04T14:41:07.572019Z",
"structure_string": "Li1 Ti3 V5 O16\n1.0\n5.883576 -0.045694 -0.008497\n-2.981147 5.189714 0.006931\n-0.007693 0.008442 9.202899\nLi Ti V O\n1 3 5 16\ndirect\n0.333962 0.667105 0.882662 Li\n0.152864 0.827515 0.208950 Ti\n0.194020 0.337884 0.205846 Ti\n0.322361 0.150509 0.693000 Ti\n0.331354 0.658082 0.477596 V\n0.674977 0.857007 0.210687 V\n0.675848 0.335146 0.984614 V\n0.825368 0.161720 0.703984 V\n0.817522 0.657227 0.707608 V\n0.154360 0.819630 0.599861 O\n0.055753 0.534998 0.341210 O\n0.335937 0.672319 0.095827 O\n0.015784 0.011088 0.313543 O\n0.995070 0.995487 0.804721 O\n0.155232 0.330567 0.599224 O\n0.492446 0.952610 0.335480 O\n0.481837 0.526925 0.338069 O\n0.342939 0.167762 0.102119 O\n0.639115 0.819906 0.599968 O\n0.522578 0.480518 0.829661 O\n0.522450 0.039161 0.827040 O\n0.656967 0.328562 0.595531 O\n0.830399 0.674748 0.107074 O\n0.956853 0.476154 0.830522 O\n0.847339 0.184233 0.106638 O\n",
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],
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"formula_full": "Li1 Ti3 V5 O16",
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"spacegroup": 1
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{
"id": "mp-9420",
"created_at": "2022-09-04T14:44:17.892486Z",
"structure_string": "Dy2 Cu4 O8\n1.0\n-2.848087 2.848087 4.828148\n2.848087 -2.848087 4.828148\n2.848087 2.848087 -4.828148\nDy Cu O\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Dy\n0.750000 0.250000 0.500000 Dy\n0.875000 0.625000 0.250000 Cu\n0.375000 0.625000 0.750000 Cu\n0.375000 0.125000 0.750000 Cu\n0.375000 0.625000 0.250000 Cu\n0.405027 0.844813 0.144829 O\n0.699984 0.260198 0.855171 O\n0.344973 0.405187 0.355171 O\n0.050016 0.989802 0.644829 O\n0.010198 0.655027 0.060214 O\n0.594813 0.949984 0.939786 O\n0.155187 0.300016 0.560214 O\n0.739802 0.594973 0.439786 O\n",
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],
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{
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"structure_string": "Nb20 Co4 N36\n1.0\n9.473794 0.000000 0.056557\n0.000000 5.370648 0.000000\n-9.605694 0.000000 13.137927\nNb Co N\n20 4 36\ndirect\n0.270673 0.045645 0.566872 Nb\n0.729327 0.545645 0.933128 Nb\n0.729327 0.954355 0.433128 Nb\n0.270673 0.454355 0.066872 Nb\n0.775027 0.467627 0.547905 Nb\n0.224973 0.967627 0.952095 Nb\n0.224973 0.532373 0.452095 Nb\n0.775027 0.032373 0.047905 Nb\n0.274298 0.470829 0.720614 Nb\n0.725702 0.970829 0.779386 Nb\n0.725702 0.529171 0.279386 Nb\n0.274298 0.029171 0.220614 Nb\n0.449394 0.995838 0.826885 Nb\n0.550606 0.495838 0.673115 Nb\n0.550606 0.004162 0.173115 Nb\n0.449394 0.504162 0.326885 Nb\n0.998942 0.529906 0.822253 Nb\n0.001058 0.029906 0.677747 Nb\n0.001058 0.470094 0.177747 Nb\n0.998942 0.970094 0.322253 Nb\n0.000000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.979185 0.906047 0.789134 N\n0.020815 0.406047 0.710866 N\n0.020815 0.093953 0.210866 N\n0.979185 0.593953 0.289134 N\n0.544273 0.672476 0.787458 N\n0.455727 0.172476 0.712542 N\n0.455727 0.327524 0.212542 N\n0.544273 0.827524 0.287458 N\n0.230105 0.822931 0.753541 N\n0.769895 0.322931 0.746459 N\n0.769895 0.177069 0.246459 N\n0.230105 0.677069 0.253541 N\n0.886375 0.782327 0.396201 N\n0.113625 0.282327 0.103799 N\n0.113625 0.217673 0.603799 N\n0.886375 0.717673 0.896201 N\n0.074135 0.252013 0.441984 N\n0.925865 0.752013 0.058016 N\n0.925865 0.747987 0.558016 N\n0.074135 0.247987 0.941984 N\n0.415245 0.163411 0.364128 N\n0.584755 0.663411 0.135872 N\n0.584755 0.836589 0.635872 N\n0.415245 0.336589 0.864128 N\n0.574274 0.697532 0.465619 N\n0.425726 0.197532 0.034381 N\n0.425726 0.302468 0.534381 N\n0.574274 0.802468 0.965619 N\n0.761557 0.344687 0.423786 N\n0.238443 0.844687 0.076214 N\n0.238443 0.655313 0.576214 N\n0.761557 0.155313 0.923786 N\n0.254919 0.906448 0.433670 N\n0.745081 0.406448 0.066330 N\n0.745081 0.093552 0.566330 N\n0.254919 0.593552 0.933670 N\n",
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{
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