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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=12128",
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"results": [
{
"id": "mp-773725",
"created_at": "2022-09-04T14:47:27.958256Z",
"structure_string": "Na2 Li10 Mn4 P4 C4 O28\n1.0\n6.637303 0.000000 0.000000\n0.055670 8.642310 0.000000\n0.010902 0.319673 10.036434\nNa Li Mn P C O\n2 10 4 4 4 28\ndirect\n0.749216 0.913671 0.123493 Na\n0.500263 0.248519 0.624017 Na\n0.763331 0.918349 0.627659 Li\n0.972119 0.733262 0.389130 Li\n0.528638 0.733776 0.390124 Li\n0.976280 0.731530 0.883389 Li\n0.522964 0.733637 0.882614 Li\n0.472432 0.268401 0.114700 Li\n0.029351 0.269737 0.113774 Li\n0.020836 0.266934 0.614447 Li\n0.243226 0.083807 0.370356 Li\n0.237338 0.086598 0.872635 Li\n0.248920 0.647786 0.113281 Mn\n0.250338 0.646193 0.610944 Mn\n0.755274 0.351257 0.383301 Mn\n0.751845 0.354311 0.888670 Mn\n0.749096 0.584747 0.144227 P\n0.754903 0.594538 0.643551 P\n0.250918 0.408044 0.351583 P\n0.245809 0.411700 0.854542 P\n0.249502 0.962163 0.135795 C\n0.240758 0.957111 0.638940 C\n0.750834 0.038449 0.371365 C\n0.752721 0.047098 0.860756 C\n0.749114 0.889834 0.353863 O\n0.750800 0.897445 0.845874 O\n0.247044 0.920012 0.012879 O\n0.248176 0.920205 0.515022 O\n0.248552 0.857904 0.232629 O\n0.254551 0.849935 0.733545 O\n0.933523 0.675254 0.088037 O\n0.563868 0.676573 0.088825 O\n0.933697 0.697554 0.594712 O\n0.565792 0.682869 0.590145 O\n0.750653 0.584670 0.300258 O\n0.246352 0.577825 0.400244 O\n0.750690 0.585308 0.799884 O\n0.249837 0.581083 0.902522 O\n0.747750 0.412499 0.103118 O\n0.244487 0.417204 0.195401 O\n0.769461 0.426811 0.593813 O\n0.230868 0.420171 0.699362 O\n0.440082 0.315681 0.397361 O\n0.071478 0.309358 0.405607 O\n0.434579 0.315697 0.899306 O\n0.067259 0.315832 0.913298 O\n0.755672 0.134013 0.268902 O\n0.758333 0.138672 0.755606 O\n0.748485 0.091273 0.490905 O\n0.749490 0.106918 0.976992 O\n0.252627 0.107721 0.165369 O\n0.219869 0.100061 0.673224 O\n",
"nsites": 52,
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"elements": [
"Na",
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.7547366953867116,
"density_atomic": 0.09032384693372213,
"volume": 575.7062145299965,
"volume_molar": 6.667276654435377,
"formula_full": "Na2 Li10 Mn4 P4 C4 O28",
"formula_reduced": "NaLi5Mn2P2(CO7)2",
"formula_anonymous": "AB2C2D2E5F14",
"energy": -380.19521608,
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"band_gap": 3.2926,
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"updated_at": "2021-11-28T01:38:13.848000Z",
"spacegroup": 1
},
{
"id": "mp-772559",
"created_at": "2022-09-04T14:48:24.600913Z",
"structure_string": "Na2 Li10 Mn4 P4 C4 O28\n1.0\n5.011755 0.000000 0.000000\n-0.333407 8.648422 0.000000\n-0.018838 -0.155988 13.306189\nNa Li Mn P C O\n2 10 4 4 4 28\ndirect\n0.751889 0.912050 0.376575 Na\n0.252791 0.752977 0.999319 Na\n0.746191 0.916353 0.864043 Li\n0.229140 0.729734 0.761758 Li\n0.224238 0.733234 0.488983 Li\n0.223137 0.727648 0.267722 Li\n0.770878 0.267782 0.734949 Li\n0.774571 0.264197 0.512151 Li\n0.772773 0.264364 0.240080 Li\n0.770549 0.265566 0.013199 Li\n0.257675 0.089902 0.131848 Li\n0.258441 0.085070 0.626623 Li\n0.773857 0.646229 0.626654 Mn\n0.772510 0.643350 0.126238 Mn\n0.223154 0.353070 0.874514 Mn\n0.229000 0.351326 0.375486 Mn\n0.712253 0.583495 0.375524 P\n0.707445 0.591155 0.872656 P\n0.287241 0.409009 0.626047 P\n0.286512 0.406600 0.126310 P\n0.726959 0.960439 0.622603 C\n0.731172 0.960945 0.127749 C\n0.265978 0.046739 0.375674 C\n0.279476 0.042902 0.868387 C\n0.347283 0.900123 0.858688 O\n0.278312 0.896278 0.376427 O\n0.977925 0.921317 0.126057 O\n0.974547 0.921322 0.622462 O\n0.539485 0.855542 0.132772 O\n0.536092 0.853795 0.620296 O\n0.782621 0.686332 0.968991 O\n0.828067 0.689082 0.784878 O\n0.824880 0.673595 0.468682 O\n0.819420 0.675666 0.283689 O\n0.396958 0.579324 0.861708 O\n0.399055 0.584194 0.376466 O\n0.195751 0.578974 0.627203 O\n0.192436 0.575395 0.132914 O\n0.808291 0.423518 0.874561 O\n0.796325 0.412822 0.373095 O\n0.600519 0.415796 0.627155 O\n0.599297 0.414262 0.123835 O\n0.178227 0.311966 0.715772 O\n0.183151 0.315981 0.532594 O\n0.188372 0.306945 0.216543 O\n0.174462 0.316921 0.032816 O\n0.468088 0.150809 0.874810 O\n0.482190 0.134335 0.375598 O\n0.030592 0.078976 0.872004 O\n0.037050 0.111487 0.374879 O\n0.668614 0.105919 0.125220 O\n0.664161 0.105190 0.624790 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Na",
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.7497969043416863,
"density_atomic": 0.09016187830311483,
"volume": 576.7404248742625,
"volume_molar": 6.679253885721182,
"formula_full": "Na2 Li10 Mn4 P4 C4 O28",
"formula_reduced": "NaLi5Mn2P2(CO7)2",
"formula_anonymous": "AB2C2D2E5F14",
"energy": -380.29353201,
"energy_per_atom": -7.313337154038461,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -354.38553201,
"band_gap": 3.2964,
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"is_magnetic": true,
"total_magnetization": 10.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:29.668000Z",
"spacegroup": 1
},
{
"id": "mp-758866",
"created_at": "2022-09-04T14:40:27.265525Z",
"structure_string": "Na4 Li8 Ni4 C8 S2 O32\n1.0\n0.000000 6.881215 6.920033\n6.595784 0.000000 6.920033\n6.595784 6.881215 0.000000\nNa Li Ni C S O\n4 8 4 8 2 32\ndirect\n0.525842 0.525842 0.974158 Na\n0.275842 0.275842 0.724158 Na\n0.974158 0.974158 0.525842 Na\n0.724158 0.724158 0.275842 Na\n0.453461 0.810852 0.136475 Li\n0.650789 0.113525 0.439148 Li\n0.136475 0.599211 0.453461 Li\n0.439148 0.796539 0.650789 Li\n0.810852 0.453461 0.599211 Li\n0.113525 0.650789 0.796539 Li\n0.599211 0.136475 0.810852 Li\n0.796539 0.439148 0.113525 Li\n0.125000 0.625000 0.125000 Ni\n0.125000 0.125000 0.625000 Ni\n0.625000 0.125000 0.125000 Ni\n0.125000 0.125000 0.125000 Ni\n0.284191 0.898854 0.904491 C\n0.337536 0.345509 0.351146 C\n0.898854 0.284191 0.912464 C\n0.904491 0.912464 0.284191 C\n0.345509 0.337536 0.965809 C\n0.351146 0.965809 0.337536 C\n0.912464 0.904491 0.898854 C\n0.965809 0.351146 0.345509 C\n0.500000 0.500000 0.500000 S\n0.750000 0.750000 0.750000 S\n0.282067 0.920015 0.029194 O\n0.481277 0.220806 0.329985 O\n0.314382 0.487733 0.231265 O\n0.283380 0.018735 0.762267 O\n0.296901 0.752046 0.915190 O\n0.560726 0.565895 0.564264 O\n0.487733 0.314382 0.966620 O\n0.214137 0.334810 0.497954 O\n0.940885 0.685736 0.684105 O\n0.018735 0.283380 0.935618 O\n0.915190 0.035863 0.296901 O\n0.497954 0.953099 0.214137 O\n0.029194 0.768723 0.282067 O\n0.329985 0.967933 0.481277 O\n0.565895 0.560726 0.309115 O\n0.564264 0.309115 0.560726 O\n0.685736 0.940885 0.689274 O\n0.684105 0.689274 0.940885 O\n0.920015 0.282067 0.768723 O\n0.220806 0.481277 0.967933 O\n0.752046 0.296901 0.035863 O\n0.334810 0.214137 0.953099 O\n0.231265 0.966620 0.314382 O\n0.309115 0.564264 0.565895 O\n0.035863 0.915190 0.752046 O\n0.762267 0.935618 0.283380 O\n0.689274 0.684105 0.685736 O\n0.953099 0.497954 0.334810 O\n0.966620 0.231265 0.487733 O\n0.935618 0.762267 0.018735 O\n0.768723 0.029194 0.920015 O\n0.967933 0.329985 0.220806 O\n",
"nsites": 58,
"nelements": 6,
"elements": [
"Na",
"Li",
"Ni",
"C",
"S",
"O"
],
"chemical_system": "C-Li-Na-Ni-O-S",
"density": 2.7874577284119737,
"density_atomic": 0.09233328354838029,
"volume": 628.159183460745,
"volume_molar": 6.522177624978053,
"formula_full": "Na4 Li8 Ni4 C8 S2 O32",
"formula_reduced": "Na2Li4Ni2C4SO16",
"formula_anonymous": "AB2C2D4E4F16",
"energy": -398.97220548,
"energy_per_atom": -6.878831128965517,
"energy_above_hull": null,
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"energy_uncorrected": -366.82420548,
"band_gap": 2.9563,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.219000Z",
"spacegroup": 70
},
{
"id": "mp-760210",
"created_at": "2022-09-04T14:47:18.674788Z",
"structure_string": "Na4 Li8 Ni4 P4 C4 O28\n1.0\n0.366694 5.054724 0.000037\n-0.001249 0.000137 13.142522\n8.461381 0.140520 -0.000733\nNa Li Ni P C O\n4 8 4 4 4 28\ndirect\n0.271980 0.010835 0.266840 Na\n0.271978 0.510892 0.266899 Na\n0.727834 0.260994 0.733179 Na\n0.727943 0.761010 0.733143 Na\n0.786074 0.136900 0.102172 Li\n0.786170 0.636856 0.102138 Li\n0.213916 0.386883 0.897876 Li\n0.213942 0.886922 0.897776 Li\n0.263769 0.247418 0.276846 Li\n0.263965 0.747390 0.276855 Li\n0.736180 0.997531 0.723181 Li\n0.736181 0.497560 0.723221 Li\n0.790025 0.875692 0.336574 Ni\n0.210219 0.625757 0.663289 Ni\n0.789719 0.375710 0.336783 Ni\n0.210132 0.125778 0.663231 Ni\n0.730083 0.128072 0.411730 P\n0.730180 0.628035 0.411704 P\n0.269801 0.378037 0.588306 P\n0.269897 0.878035 0.588245 P\n0.689117 0.382099 0.047362 C\n0.689140 0.882120 0.047266 C\n0.310816 0.132071 0.952684 C\n0.310989 0.632065 0.952707 C\n0.388981 0.144473 0.092586 O\n0.389143 0.644428 0.092623 O\n0.610988 0.394575 0.907468 O\n0.611007 0.894633 0.907384 O\n0.937549 0.381426 0.073971 O\n0.937605 0.881480 0.073891 O\n0.062374 0.131453 0.926064 O\n0.062549 0.631439 0.926102 O\n0.514664 0.369816 0.169559 O\n0.514767 0.869814 0.169476 O\n0.485229 0.119901 0.830432 O\n0.485381 0.619870 0.830450 O\n0.797720 0.034166 0.302845 O\n0.797667 0.534156 0.302876 O\n0.202196 0.284251 0.697236 O\n0.202249 0.784242 0.697281 O\n0.843704 0.219272 0.308818 O\n0.843814 0.719263 0.308695 O\n0.156162 0.469348 0.691184 O\n0.156313 0.969340 0.691059 O\n0.148600 0.370682 0.427954 O\n0.148711 0.870616 0.427927 O\n0.851265 0.120792 0.572095 O\n0.851369 0.620807 0.572031 O\n0.423176 0.139448 0.443553 O\n0.423240 0.639477 0.443588 O\n0.576710 0.389428 0.556451 O\n0.576837 0.889367 0.556349 O\n",
"nsites": 52,
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"elements": [
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"Ni",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Na-Ni-O-P",
"density": 2.964160453491335,
"density_atomic": 0.09262100219293508,
"volume": 561.4277406724761,
"volume_molar": 6.501917078650824,
"formula_full": "Na4 Li8 Ni4 P4 C4 O28",
"formula_reduced": "NaLi2NiPCO7",
"formula_anonymous": "ABCDE2F7",
"energy": -358.91012467,
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"updated_at": "2021-11-28T01:38:04.683000Z",
"spacegroup": 4
},
{
"id": "mp-771060",
"created_at": "2022-09-04T14:41:49.234462Z",
"structure_string": "Na10 Li2 Ni4 P4 C4 O28\n1.0\n0.142209 5.167799 -0.002394\n-8.792936 0.012440 6.595546\n8.839606 -0.025684 6.647882\nNa Li Ni P C O\n10 2 4 4 4 28\ndirect\n0.768386 0.078852 0.161001 Na\n0.768317 0.578829 0.660989 Na\n0.255400 0.111525 0.380177 Na\n0.255399 0.611545 0.880161 Na\n0.747305 0.889144 0.619975 Na\n0.747361 0.389100 0.120016 Na\n0.746571 0.130836 0.863403 Na\n0.746494 0.630873 0.363441 Na\n0.224630 0.918255 0.835652 Na\n0.224620 0.418282 0.335676 Na\n0.229848 0.864180 0.152205 Li\n0.229903 0.364127 0.652213 Li\n0.785362 0.705049 0.051024 Ni\n0.220369 0.299339 0.948828 Ni\n0.785240 0.205272 0.551025 Ni\n0.220415 0.799093 0.448888 Ni\n0.717901 0.916692 0.330408 P\n0.717974 0.416697 0.830314 P\n0.293464 0.088087 0.667049 P\n0.293418 0.588062 0.167093 P\n0.710901 0.344381 0.408639 C\n0.711062 0.844281 0.908636 C\n0.278760 0.650204 0.591455 C\n0.278933 0.150251 0.091429 C\n0.296697 0.070936 0.157810 O\n0.296652 0.570985 0.657914 O\n0.940741 0.311771 0.433336 O\n0.940983 0.811747 0.933321 O\n0.512858 0.303902 0.462054 O\n0.512979 0.803786 0.962015 O\n0.824655 0.876227 0.192475 O\n0.824831 0.376267 0.692510 O\n0.774991 0.061529 0.379378 O\n0.775137 0.561518 0.879352 O\n0.159883 0.170593 0.594426 O\n0.159877 0.670571 0.094428 O\n0.417344 0.892468 0.332015 O\n0.417423 0.392589 0.831982 O\n0.592861 0.103377 0.654225 O\n0.592790 0.603246 0.154145 O\n0.848843 0.841948 0.411034 O\n0.848811 0.341971 0.911029 O\n0.217493 0.945042 0.617200 O\n0.217408 0.444981 0.117150 O\n0.213535 0.126832 0.809338 O\n0.213529 0.626767 0.309254 O\n0.483731 0.697983 0.549911 O\n0.483932 0.198010 0.049938 O\n0.054211 0.686188 0.563004 O\n0.054425 0.186153 0.062994 O\n0.682736 0.914808 0.834062 O\n0.682612 0.414856 0.334007 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
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"Ni",
"P",
"C",
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],
"chemical_system": "C-Li-Na-Ni-O-P",
"density": 3.022922359880185,
"density_atomic": 0.0861769903009944,
"volume": 603.4093302443862,
"volume_molar": 6.988107543517343,
"formula_full": "Na10 Li2 Ni4 P4 C4 O28",
"formula_reduced": "Na5LiNi2P2(CO7)2",
"formula_anonymous": "AB2C2D2E5F14",
"energy": -353.43341403,
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"updated_at": "2021-11-28T01:35:28.458000Z",
"spacegroup": 1
},
{
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"structure_string": "Na2 Li3 Ti3 Al1 P6 O24\n1.0\n7.633845 -4.362247 0.000000\n7.633845 4.362247 0.000000\n5.141104 0.000000 7.132590\nNa Li Ti Al P O\n2 3 3 1 6 24\ndirect\n0.004651 0.004651 0.004651 Na\n0.496293 0.496293 0.496293 Na\n0.656065 0.241166 0.847677 Li\n0.241166 0.847677 0.656065 Li\n0.847677 0.656065 0.241166 Li\n0.649283 0.649283 0.649283 Ti\n0.142863 0.142863 0.142863 Ti\n0.358083 0.358083 0.358083 Ti\n0.849782 0.849782 0.849782 Al\n0.241266 0.542010 0.964933 P\n0.964933 0.241266 0.542010 P\n0.542010 0.964933 0.241266 P\n0.461554 0.043258 0.750166 P\n0.043258 0.750166 0.461554 P\n0.750166 0.461554 0.043258 P\n0.069844 0.727595 0.936264 O\n0.407719 0.572549 0.775838 O\n0.210702 0.371807 0.993938 O\n0.133012 0.273907 0.516299 O\n0.936264 0.069844 0.727595 O\n0.775838 0.407719 0.572549 O\n0.516299 0.133012 0.273907 O\n0.572549 0.775838 0.407719 O\n0.630433 0.005032 0.793650 O\n0.278616 0.063994 0.918604 O\n0.273907 0.516299 0.133012 O\n0.005032 0.793650 0.630433 O\n0.993938 0.210702 0.371807 O\n0.706150 0.482982 0.881209 O\n0.727595 0.936264 0.069844 O\n0.371807 0.993938 0.210702 O\n0.445059 0.225037 0.580724 O\n0.482982 0.881209 0.706150 O\n0.225037 0.580724 0.445059 O\n0.063994 0.918604 0.278616 O\n0.881209 0.706150 0.482982 O\n0.793650 0.630433 0.005032 O\n0.580724 0.445059 0.225037 O\n0.918604 0.278616 0.063994 O\n",
"nsites": 39,
"nelements": 6,
"elements": [
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],
"chemical_system": "Al-Li-Na-O-P-Ti",
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"density_atomic": 0.08209822370199246,
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"volume_molar": 7.335287523223048,
"formula_full": "Na2 Li3 Ti3 Al1 P6 O24",
"formula_reduced": "Na2Li3Ti3Al(PO4)6",
"formula_anonymous": "AB2C3D3E6F24",
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"energy_uncorrected": -283.19914794,
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"updated_at": "2021-11-28T01:37:35.494000Z",
"spacegroup": 146
},
{
"id": "mp-769069",
"created_at": "2022-09-04T14:47:06.100610Z",
"structure_string": "Na2 Li4 Ti3 Al1 P6 O24\n1.0\n8.764117 0.000000 0.000000\n4.365230 7.618357 0.000000\n4.373982 2.506356 7.190717\nNa Li Ti Al P O\n2 4 3 1 6 24\ndirect\n0.987707 0.991124 0.001132 Na\n0.504107 0.501293 0.509339 Na\n0.746745 0.346999 0.158339 Li\n0.252160 0.657984 0.849167 Li\n0.251531 0.847526 0.241056 Li\n0.251627 0.240267 0.660341 Li\n0.930681 0.354584 0.362836 Ti\n0.565558 0.138693 0.146973 Ti\n0.054252 0.650521 0.648004 Ti\n0.449138 0.850435 0.848550 Al\n0.747154 0.460148 0.752544 P\n0.744648 0.746901 0.043202 P\n0.745725 0.041795 0.462514 P\n0.252439 0.959997 0.548065 P\n0.246113 0.240837 0.963584 P\n0.257946 0.544109 0.239827 P\n0.932452 0.702582 0.884231 O\n0.932284 0.886333 0.481521 O\n0.933284 0.485032 0.699856 O\n0.745237 0.284265 0.928239 O\n0.748063 0.435716 0.590379 O\n0.572590 0.628669 0.795722 O\n0.738284 0.907353 0.075749 O\n0.742589 0.569001 0.216519 O\n0.741658 0.230514 0.438948 O\n0.425410 0.987538 0.379778 O\n0.265782 0.929485 0.734051 O\n0.415055 0.212463 0.997134 O\n0.571783 0.799276 0.997597 O\n0.744795 0.071535 0.273251 O\n0.571606 0.001761 0.627425 O\n0.244667 0.770787 0.581136 O\n0.242349 0.403325 0.774437 O\n0.263738 0.070138 0.933332 O\n0.437654 0.377349 0.209690 O\n0.245365 0.580558 0.403619 O\n0.268298 0.728763 0.070516 O\n0.087076 0.512785 0.269267 O\n0.078249 0.127410 0.522973 O\n0.064196 0.275150 0.128156 O\n",
"nsites": 40,
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"elements": [
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],
"chemical_system": "Al-Li-Na-O-P-Ti",
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"density_atomic": 0.08331406172374725,
"volume": 480.1110301479718,
"volume_molar": 7.228240509949225,
"formula_full": "Na2 Li4 Ti3 Al1 P6 O24",
"formula_reduced": "Na2Li4Ti3Al(PO4)6",
"formula_anonymous": "AB2C3D4E6F24",
"energy": -302.67335645,
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"formation_energy": null,
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"energy_uncorrected": -286.18535645,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:56.637000Z",
"spacegroup": 1
}
]
}