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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=11495",
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"results": [
{
"id": "mp-762521",
"created_at": "2022-09-04T14:46:23.887116Z",
"structure_string": "Li2 Mn6 Al4 H12 O24\n1.0\n5.954056 0.000000 0.000000\n-1.633083 7.734225 0.000000\n-2.855419 -3.433738 9.505563\nLi Mn Al H O\n2 6 4 12 24\ndirect\n0.758134 0.010978 0.499170 Li\n0.075300 0.322489 0.500858 Li\n0.995440 0.997758 0.996131 Mn\n0.495893 0.998825 0.997543 Mn\n0.334362 0.335753 0.002651 Mn\n0.167559 0.667034 0.000820 Mn\n0.838206 0.336195 0.004821 Mn\n0.665632 0.664159 0.996718 Mn\n0.246778 0.004723 0.497269 Al\n0.586322 0.328366 0.502342 Al\n0.917240 0.666642 0.500066 Al\n0.416385 0.666797 0.500293 Al\n0.388883 0.025378 0.289913 H\n0.910946 0.324925 0.709860 H\n0.921144 0.008906 0.289790 H\n0.771476 0.650127 0.713168 H\n0.446944 0.305359 0.710177 H\n0.720766 0.362676 0.295494 H\n0.261236 0.660300 0.704757 H\n0.568446 0.675184 0.295762 H\n0.256147 0.361222 0.300561 H\n0.113729 0.970740 0.704718 H\n0.067177 0.678246 0.286611 H\n0.576176 0.975439 0.699661 H\n0.217121 0.068834 0.899512 O\n0.448209 0.074962 0.393911 O\n0.853261 0.285889 0.607181 O\n0.051443 0.398936 0.900648 O\n0.702114 0.074709 0.894629 O\n0.979664 0.047177 0.392423 O\n0.122612 0.280831 0.106260 O\n0.703343 0.609894 0.607861 O\n0.552386 0.393920 0.900389 O\n0.384741 0.258886 0.606299 O\n0.617216 0.269252 0.104967 O\n0.784003 0.410059 0.399442 O\n0.202911 0.617109 0.600398 O\n0.358216 0.740720 0.890182 O\n0.449802 0.601758 0.101493 O\n0.323331 0.409941 0.404547 O\n0.630551 0.715832 0.399641 O\n0.049485 0.923519 0.600864 O\n0.882618 0.712850 0.892695 O\n0.294279 0.927258 0.104278 O\n0.974124 0.596185 0.111144 O\n0.130268 0.724287 0.392568 O\n0.510457 0.923499 0.595710 O\n0.777722 0.935672 0.094406 O\n",
"nsites": 48,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Al",
"H",
"O"
],
"chemical_system": "Al-H-Li-Mn-O",
"density": 3.215067608474747,
"density_atomic": 0.10965632213897689,
"volume": 437.7312594814686,
"volume_molar": 5.491831790936434,
"formula_full": "Li2 Mn6 Al4 H12 O24",
"formula_reduced": "LiMn3Al2(HO2)6",
"formula_anonymous": "AB2C3D6E12",
"energy": -330.57760521,
"energy_per_atom": -6.887033441875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -304.08160521,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0157046,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.956000Z",
"spacegroup": 1
},
{
"id": "mp-758231",
"created_at": "2022-09-04T14:40:23.719383Z",
"structure_string": "Li2 Mn6 Al4 H12 O24\n1.0\n5.944542 0.000000 0.000000\n-1.465371 7.731977 0.000000\n-0.075617 -3.436619 9.520548\nLi Mn Al H O\n2 6 4 12 24\ndirect\n0.657936 0.156237 0.501046 Li\n0.342064 0.843763 0.498954 Li\n0.662365 0.168541 0.003817 Mn\n0.337635 0.831459 0.996183 Mn\n0.500000 0.500000 0.000000 Mn\n0.163474 0.169246 0.002495 Mn\n0.836526 0.830754 0.997505 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Al\n0.168260 0.161894 0.502037 Al\n0.000000 0.500000 0.500000 Al\n0.831740 0.838106 0.497963 Al\n0.746095 0.488791 0.703372 H\n0.608622 0.842737 0.290433 H\n0.745093 0.510256 0.287492 H\n0.391378 0.157263 0.709567 H\n0.592793 0.805373 0.703206 H\n0.407207 0.194627 0.296794 H\n0.254907 0.489744 0.712508 H\n0.077612 0.860402 0.291303 H\n0.253905 0.511209 0.296628 H\n0.922388 0.139598 0.708697 H\n0.061177 0.805952 0.698375 H\n0.938823 0.194048 0.301625 H\n0.596248 0.905381 0.896600 O\n0.761558 0.551143 0.896530 O\n0.738901 0.451562 0.600420 O\n0.614383 0.881546 0.392297 O\n0.705001 0.426800 0.111911 O\n0.765371 0.556768 0.392784 O\n0.385617 0.118454 0.607703 O\n0.427724 0.232905 0.901631 O\n0.584064 0.757094 0.600139 O\n0.415936 0.242906 0.399861 O\n0.572276 0.767095 0.098369 O\n0.403752 0.094619 0.103400 O\n0.294999 0.573200 0.888089 O\n0.234629 0.443232 0.607216 O\n0.098720 0.891941 0.896230 O\n0.261099 0.548438 0.399580 O\n0.238442 0.448857 0.103470 O\n0.082301 0.907862 0.394218 O\n0.920166 0.231007 0.900059 O\n0.917699 0.092138 0.605782 O\n0.044946 0.756107 0.595528 O\n0.955054 0.243893 0.404472 O\n0.901280 0.108059 0.103770 O\n0.079834 0.768993 0.099941 O\n",
"nsites": 48,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Al",
"H",
"O"
],
"chemical_system": "Al-H-Li-Mn-O",
"density": 3.2160794682121767,
"density_atomic": 0.1096908336425716,
"volume": 437.5935381839504,
"volume_molar": 5.4901039221045504,
"formula_full": "Li2 Mn6 Al4 H12 O24",
"formula_reduced": "LiMn3Al2(HO2)6",
"formula_anonymous": "AB2C3D6E12",
"energy": -330.42894005,
"energy_per_atom": -6.883936251041667,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -303.93294005,
"band_gap": 0.1309,
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"is_magnetic": true,
"total_magnetization": 20.0037753,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.178000Z",
"spacegroup": 2
},
{
"id": "mp-758686",
"created_at": "2022-09-04T14:40:37.612096Z",
"structure_string": "Li2 Mn6 Al4 H12 O24\n1.0\n5.883215 0.000000 0.000000\n-1.505606 7.806469 0.000000\n-2.914764 -1.858242 9.521092\nLi Mn Al H O\n2 6 4 12 24\ndirect\n0.657981 0.654503 0.500171 Li\n0.342019 0.345497 0.499829 Li\n0.670677 0.664574 0.006321 Mn\n0.171075 0.664772 0.006487 Mn\n0.828925 0.335228 0.993513 Mn\n0.329323 0.335426 0.993679 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.168301 0.659941 0.498827 Al\n0.500000 0.000000 0.500000 Al\n0.831699 0.340059 0.501173 Al\n0.000000 0.000000 0.500000 Al\n0.104022 0.836355 0.288072 H\n0.546546 0.830266 0.704314 H\n0.608514 0.849123 0.295772 H\n0.252812 0.517235 0.290874 H\n0.070346 0.825716 0.699148 H\n0.783425 0.500436 0.291498 H\n0.216575 0.499564 0.708502 H\n0.929654 0.174284 0.300852 H\n0.391486 0.150877 0.704228 H\n0.747188 0.482765 0.709126 H\n0.453454 0.169734 0.295686 H\n0.895978 0.163645 0.711928 H\n0.162025 0.869179 0.393302 O\n0.004064 0.780586 0.114360 O\n0.486305 0.811506 0.601488 O\n0.669334 0.854014 0.903393 O\n0.503910 0.781549 0.112813 O\n0.314894 0.546233 0.392860 O\n0.670418 0.883827 0.399255 O\n0.016818 0.808487 0.596507 O\n0.169087 0.856181 0.904265 O\n0.834971 0.535400 0.900166 O\n0.665882 0.464245 0.101332 O\n0.844589 0.520460 0.394447 O\n0.155411 0.479540 0.605553 O\n0.334118 0.535755 0.898668 O\n0.165029 0.464600 0.099834 O\n0.983182 0.191513 0.403493 O\n0.830913 0.143819 0.095735 O\n0.496090 0.218451 0.887187 O\n0.685106 0.453767 0.607140 O\n0.329582 0.116173 0.600745 O\n0.330666 0.145986 0.096607 O\n0.513695 0.188494 0.398512 O\n0.837975 0.130821 0.606698 O\n0.995936 0.219414 0.885640 O\n",
"nsites": 48,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Al",
"H",
"O"
],
"chemical_system": "Al-H-Li-Mn-O",
"density": 3.2184113477378875,
"density_atomic": 0.10977036706569047,
"volume": 437.2764825617746,
"volume_molar": 5.486126102134777,
"formula_full": "Li2 Mn6 Al4 H12 O24",
"formula_reduced": "LiMn3Al2(HO2)6",
"formula_anonymous": "AB2C3D6E12",
"energy": -332.56108625,
"energy_per_atom": -6.928355963541667,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -306.06508625,
"band_gap": 0.5019,
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"is_magnetic": true,
"total_magnetization": 9.8988238,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.077000Z",
"spacegroup": 2
},
{
"id": "mp-758346",
"created_at": "2022-09-04T14:45:38.165868Z",
"structure_string": "Li2 Mn6 Al4 H12 O24\n1.0\n-5.877967 0.000000 0.000000\n1.508895 7.807022 0.000000\n-0.038452 -1.864806 -9.510060\nLi Mn Al H O\n2 6 4 12 24\ndirect\n0.658319 0.655253 0.500358 Li\n0.341681 0.344747 0.499642 Li\n0.917987 0.664538 0.006860 Mn\n0.082013 0.335462 0.993140 Mn\n0.418551 0.664319 0.006054 Mn\n0.581449 0.335681 0.993946 Mn\n0.249950 0.000221 0.000335 Mn\n0.750050 0.999779 0.999665 Mn\n0.169269 0.659779 0.499271 Al\n0.830731 0.340221 0.500729 Al\n0.000000 0.000000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.211116 0.836444 0.288213 H\n0.710608 0.846766 0.295921 H\n0.969664 0.824522 0.699641 H\n0.887858 0.501778 0.291395 H\n0.446259 0.829702 0.704687 H\n0.112142 0.498222 0.708605 H\n0.359247 0.516749 0.290945 H\n0.030336 0.175478 0.300359 H\n0.640753 0.483251 0.709055 H\n0.553741 0.170298 0.295313 H\n0.788884 0.163556 0.711787 H\n0.289392 0.153234 0.704079 H\n0.198188 0.780839 0.114257 O\n0.215866 0.869075 0.393616 O\n0.720927 0.883419 0.399499 O\n0.697602 0.780798 0.113438 O\n0.968891 0.808614 0.596825 O\n0.968301 0.854632 0.904005 O\n0.897567 0.520891 0.394705 O\n0.865125 0.464770 0.101567 O\n0.467305 0.854963 0.903940 O\n0.134875 0.535230 0.898433 O\n0.436052 0.811656 0.601709 O\n0.102433 0.479109 0.605295 O\n0.031109 0.191386 0.403175 O\n0.363820 0.464538 0.099959 O\n0.368844 0.545842 0.393487 O\n0.031699 0.145368 0.095995 O\n0.636180 0.535462 0.900041 O\n0.631156 0.454158 0.606513 O\n0.563948 0.188344 0.398291 O\n0.532695 0.145037 0.096060 O\n0.801812 0.219161 0.885743 O\n0.784134 0.130925 0.606384 O\n0.279073 0.116581 0.600501 O\n0.302398 0.219202 0.886562 O\n",
"nsites": 48,
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"elements": [
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"Mn",
"Al",
"H",
"O"
],
"chemical_system": "Al-H-Li-Mn-O",
"density": 3.2247931903069245,
"density_atomic": 0.10998803259245757,
"volume": 436.41111554250676,
"volume_molar": 5.475269097969999,
"formula_full": "Li2 Mn6 Al4 H12 O24",
"formula_reduced": "LiMn3Al2(HO2)6",
"formula_anonymous": "AB2C3D6E12",
"energy": -330.74357988,
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"updated_at": "2021-11-28T01:37:15.589000Z",
"spacegroup": 2
},
{
"id": "mp-758328",
"created_at": "2022-09-04T14:43:48.467798Z",
"structure_string": "Li2 Mn6 Al4 H12 O24\n1.0\n-5.969091 0.000000 0.000000\n1.573676 7.638117 0.000000\n-0.129231 -3.438647 -9.515994\nLi Mn Al H O\n2 6 4 12 24\ndirect\n0.920731 0.156744 0.503158 Li\n0.079269 0.843256 0.496842 Li\n0.920614 0.168164 0.003000 Mn\n0.579228 0.831939 0.996583 Mn\n0.748686 0.498708 0.998649 Mn\n0.420772 0.168061 0.003417 Mn\n0.079386 0.831836 0.997000 Mn\n0.251314 0.501292 0.001351 Mn\n0.586404 0.836799 0.496805 Al\n0.756204 0.501671 0.501266 Al\n0.413596 0.163201 0.503195 Al\n0.243796 0.498329 0.498734 Al\n0.998720 0.498532 0.711634 H\n0.812125 0.843801 0.289197 H\n0.001280 0.501468 0.288366 H\n0.644131 0.139413 0.709511 H\n0.812818 0.805846 0.703084 H\n0.662448 0.193125 0.300784 H\n0.492391 0.487690 0.709679 H\n0.355869 0.860587 0.290489 H\n0.507609 0.512310 0.290321 H\n0.187875 0.156199 0.710803 H\n0.337552 0.806875 0.699216 H\n0.187182 0.194154 0.296916 H\n0.849558 0.899593 0.897003 O\n0.007787 0.570252 0.892793 O\n0.989410 0.462583 0.607407 O\n0.828092 0.882805 0.391867 O\n0.992213 0.429748 0.107207 O\n0.010590 0.537417 0.392593 O\n0.629008 0.093376 0.606602 O\n0.677243 0.229728 0.897283 O\n0.792471 0.758057 0.600434 O\n0.665119 0.245446 0.404829 O\n0.811474 0.770433 0.098850 O\n0.644038 0.098186 0.104255 O\n0.505929 0.570677 0.890959 O\n0.485894 0.438376 0.604866 O\n0.355962 0.901814 0.895745 O\n0.514106 0.561624 0.395134 O\n0.494071 0.429323 0.109041 O\n0.370992 0.906624 0.393398 O\n0.188526 0.229567 0.901150 O\n0.171908 0.117195 0.608133 O\n0.334881 0.754554 0.595171 O\n0.207529 0.241943 0.399566 O\n0.150442 0.100407 0.102997 O\n0.322757 0.770272 0.102717 O\n",
"nsites": 48,
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"elements": [
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"Mn",
"Al",
"H",
"O"
],
"chemical_system": "Al-H-Li-Mn-O",
"density": 3.243762178981899,
"density_atomic": 0.11063500795537395,
"volume": 433.85905498702016,
"volume_molar": 5.443250623192532,
"formula_full": "Li2 Mn6 Al4 H12 O24",
"formula_reduced": "LiMn3Al2(HO2)6",
"formula_anonymous": "AB2C3D6E12",
"energy": -330.39131552,
"energy_per_atom": -6.8831524066666665,
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"band_gap": 0.0,
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"total_magnetization": 19.9996882,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.851000Z",
"spacegroup": 2
},
{
"id": "mp-757927",
"created_at": "2022-09-04T14:41:31.729859Z",
"structure_string": "Li2 Mn6 Al4 H12 O24\n1.0\n5.995644 0.000000 0.000000\n-1.524274 7.701030 0.000000\n-2.923256 -3.446885 9.501384\nLi Mn Al H O\n2 6 4 12 24\ndirect\n0.079523 0.844085 0.498628 Li\n0.920477 0.155915 0.501372 Li\n0.826390 0.832102 0.996334 Mn\n0.328731 0.831408 0.998774 Mn\n0.173610 0.167898 0.003666 Mn\n0.000000 0.500000 0.000000 Mn\n0.671269 0.168592 0.001226 Mn\n0.500000 0.500000 0.000000 Mn\n0.587464 0.838393 0.497161 Al\n0.412536 0.161607 0.502839 Al\n0.756875 0.501307 0.501171 Al\n0.243125 0.498693 0.498829 Al\n0.250058 0.860598 0.291233 H\n0.749942 0.139402 0.708767 H\n0.709808 0.843380 0.290304 H\n0.591426 0.487374 0.708020 H\n0.290192 0.156620 0.709696 H\n0.563805 0.194405 0.301413 H\n0.103756 0.492927 0.709348 H\n0.408574 0.512626 0.291980 H\n0.085071 0.194262 0.296711 H\n0.914929 0.805738 0.703289 H\n0.896244 0.507073 0.290652 H\n0.436195 0.805595 0.698587 H\n0.049321 0.898980 0.897211 O\n0.318638 0.907047 0.394566 O\n0.681362 0.092953 0.605434 O\n0.892016 0.231588 0.898718 O\n0.550177 0.902304 0.896247 O\n0.774025 0.882689 0.392750 O\n0.950679 0.101020 0.102789 O\n0.536348 0.437019 0.603348 O\n0.389517 0.232569 0.900760 O\n0.225975 0.117311 0.607250 O\n0.449823 0.097696 0.103753 O\n0.617164 0.245898 0.404233 O\n0.042176 0.460929 0.606366 O\n0.216337 0.560720 0.897810 O\n0.311178 0.426700 0.110292 O\n0.156677 0.242595 0.399660 O\n0.463652 0.562981 0.396652 O\n0.843323 0.757405 0.600340 O\n0.688822 0.573300 0.889708 O\n0.107984 0.768412 0.101282 O\n0.783663 0.439280 0.102190 O\n0.957824 0.539071 0.393634 O\n0.382836 0.754102 0.595767 O\n0.610483 0.767431 0.099240 O\n",
"nsites": 48,
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"elements": [
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"Mn",
"Al",
"H",
"O"
],
"chemical_system": "Al-H-Li-Mn-O",
"density": 3.207939343275687,
"density_atomic": 0.10941319837296347,
"volume": 438.70392890242965,
"volume_molar": 5.50403502461555,
"formula_full": "Li2 Mn6 Al4 H12 O24",
"formula_reduced": "LiMn3Al2(HO2)6",
"formula_anonymous": "AB2C3D6E12",
"energy": -330.52499894,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:25.414000Z",
"spacegroup": 2
},
{
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{
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}