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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=10412",
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"results": [
{
"id": "mp-1175164",
"created_at": "2022-09-04T14:41:49.794097Z",
"structure_string": "Li14 Mn8 Co2 O24\n1.0\n-5.876992 0.082035 0.543070\n3.334751 0.115042 9.548588\n0.298763 7.532450 3.276352\nLi Mn Co O\n14 8 2 24\ndirect\n0.666696 0.333319 0.833339 Li\n0.166705 0.333307 0.833366 Li\n0.666732 0.833281 0.333364 Li\n0.166735 0.833299 0.333340 Li\n0.666649 0.833320 0.833331 Li\n0.166655 0.833320 0.833336 Li\n0.508679 0.507331 0.998130 Li\n0.015774 0.508021 0.000388 Li\n0.317563 0.158662 0.666254 Li\n0.824645 0.159335 0.668571 Li\n0.488734 0.994881 0.526562 Li\n0.007365 0.000893 0.524517 Li\n0.844580 0.671802 0.140107 Li\n0.326050 0.665774 0.142152 Li\n0.989731 0.995500 0.992633 Mn\n0.491135 0.995911 0.992084 Mn\n0.343617 0.671179 0.674011 Mn\n0.842187 0.670788 0.674603 Mn\n0.503215 0.502130 0.493430 Mn\n0.007815 0.503787 0.491577 Mn\n0.325471 0.162916 0.175188 Mn\n0.830081 0.164535 0.173298 Mn\n0.666680 0.333343 0.333317 Co\n0.166644 0.333349 0.333339 Co\n0.309560 0.149334 0.935199 O\n0.807495 0.148827 0.931094 O\n0.525832 0.517837 0.735530 O\n0.023792 0.517341 0.731451 O\n0.355199 0.662354 0.431255 O\n0.847316 0.659998 0.430339 O\n0.485964 0.006689 0.236322 O\n0.978130 0.004315 0.235361 O\n0.174393 0.323511 0.098843 O\n0.680383 0.324779 0.102726 O\n0.652917 0.341871 0.563929 O\n0.158863 0.343142 0.567844 O\n0.653785 0.812932 0.595175 O\n0.154286 0.812708 0.593358 O\n0.679566 0.853720 0.071490 O\n0.179085 0.853961 0.073279 O\n0.479129 0.477534 0.261788 O\n0.009917 0.495005 0.258366 O\n0.323402 0.171687 0.408302 O\n0.854188 0.189137 0.404825 O\n0.000009 0.002821 0.767666 O\n0.499037 0.004119 0.766442 O\n0.834300 0.662557 0.900213 O\n0.333313 0.663839 0.898965 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 3.9786503739589354,
"density_atomic": 0.11074107218572819,
"volume": 433.4435187650822,
"volume_molar": 5.43803725315214,
"formula_full": "Li14 Mn8 Co2 O24",
"formula_reduced": "Li7Mn4CoO12",
"formula_anonymous": "AB4C7D12",
"energy": -330.89239736,
"energy_per_atom": -6.893591611666667,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -297.78439736,
"band_gap": 0.2112000000000002,
"is_gap_direct": false,
"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.635000Z",
"spacegroup": 2
},
{
"id": "mp-1176247",
"created_at": "2022-09-04T14:41:49.761829Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.015373 0.000000 0.000000\n-1.603791 4.841310 0.000000\n-0.214073 -0.234651 11.723319\nLi Mn Co O\n9 2 5 16\ndirect\n0.001202 0.501725 0.128678 Li\n0.503446 0.498954 0.246902 Li\n0.015401 0.510057 0.370626 Li\n0.515692 0.511899 0.489467 Li\n0.992530 0.495678 0.620763 Li\n0.487619 0.491999 0.753696 Li\n0.996240 0.496302 0.882078 Li\n0.501361 0.502071 0.010236 Li\n0.508490 0.005457 0.120548 Li\n0.001829 0.001015 0.002880 Mn\n0.985703 0.985252 0.751914 Mn\n0.006561 0.016501 0.246591 Co\n0.504724 0.010402 0.363614 Co\n0.003037 0.006111 0.498983 Co\n0.488962 0.986936 0.622556 Co\n0.492977 0.994269 0.876512 Co\n0.253482 0.782135 0.989753 O\n0.787090 0.772525 0.115733 O\n0.264492 0.778730 0.256523 O\n0.777886 0.783394 0.380271 O\n0.247443 0.774620 0.506628 O\n0.746852 0.751122 0.637125 O\n0.238098 0.769003 0.755385 O\n0.754028 0.778347 0.874429 O\n0.767529 0.243076 0.253315 O\n0.261998 0.250963 0.377459 O\n0.745263 0.215864 0.502809 O\n0.210335 0.212367 0.633986 O\n0.727846 0.203588 0.752545 O\n0.232657 0.210818 0.872987 O\n0.749711 0.219927 0.988833 O\n0.229517 0.238891 0.116169 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.217659954255139,
"density_atomic": 0.11241732985917897,
"volume": 284.65362093269084,
"volume_molar": 5.356950540938584,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.83745706,
"energy_per_atom": -6.526170533125,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -186.31945706,
"band_gap": 0.4484000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0004184,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.326000Z",
"spacegroup": 1
},
{
"id": "mp-2562",
"created_at": "2022-09-04T14:41:49.786910Z",
"structure_string": "Mn2 S2\n1.0\n1.976236 -3.422942 0.000000\n1.976236 3.422942 0.000000\n0.000000 0.000000 6.297430\nMn S\n2 2\ndirect\n0.333333 0.666667 0.998296 Mn\n0.666667 0.333333 0.498296 Mn\n0.666667 0.333333 0.126694 S\n0.333333 0.666667 0.626694 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"S"
],
"chemical_system": "Mn-S",
"density": 3.391422169187109,
"density_atomic": 0.04694921122930186,
"volume": 85.19844945773076,
"volume_molar": 12.826926379205009,
"formula_full": "Mn2 S2",
"formula_reduced": "MnS",
"formula_anonymous": "AB",
"energy": -29.47979751,
"energy_per_atom": -7.3699493775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -28.47379751,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9392111,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:34.276000Z",
"spacegroup": 186
},
{
"id": "mp-1153924",
"created_at": "2022-09-04T14:41:49.787683Z",
"structure_string": "Co4 Ni2 O8\n1.0\n4.042530 -0.007570 4.045644\n0.002230 4.044436 4.035815\n-0.055057 -0.074522 8.146448\nCo Ni O\n4 2 8\ndirect\n0.750000 0.750000 0.875000 Co\n0.750000 0.250000 0.375000 Co\n0.250000 0.750000 0.375000 Co\n0.250000 0.250000 0.375000 Co\n0.495421 0.497875 0.754731 Ni\n0.004579 0.002125 0.995269 Ni\n0.279837 0.281411 0.579207 O\n0.274950 0.720508 0.141619 O\n0.722276 0.275721 0.139885 O\n0.722120 0.721297 0.140759 O\n0.220163 0.218589 0.170793 O\n0.225050 0.779492 0.608381 O\n0.777724 0.224279 0.610115 O\n0.777880 0.778703 0.609241 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Co",
"Ni",
"O"
],
"chemical_system": "Co-Ni-O",
"density": 5.904282195190885,
"density_atomic": 0.10346592526191856,
"volume": 135.31024793486102,
"volume_molar": 5.820409709530232,
"formula_full": "Co4 Ni2 O8",
"formula_reduced": "Co2NiO4",
"formula_anonymous": "AB2C4",
"energy": -92.38856893,
"energy_per_atom": -6.599183495,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -75.25856893,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 14.0086439,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.857000Z",
"spacegroup": 166
},
{
"id": "mp-777827",
"created_at": "2022-09-04T14:41:49.817361Z",
"structure_string": "Li32 Mn3 Cr13 O48\n1.0\n-5.030065 0.000000 0.000000\n-0.073549 -8.707796 0.000000\n1.663214 2.668503 19.227147\nLi Mn Cr O\n32 3 13 48\ndirect\n0.989053 0.169812 0.249936 Li\n0.875440 0.374908 0.375107 Li\n0.750939 0.249737 0.999814 Li\n0.743727 0.920532 0.999679 Li\n0.992575 0.168726 0.749706 Li\n0.758590 0.579210 0.499543 Li\n0.874691 0.374936 0.874933 Li\n0.753190 0.249326 0.500455 Li\n0.741379 0.920383 0.499519 Li\n0.626235 0.126414 0.124811 Li\n0.760473 0.579261 0.999739 Li\n0.510986 0.330832 0.250288 Li\n0.624933 0.125509 0.624915 Li\n0.497704 0.000763 0.250565 Li\n0.494990 0.670143 0.250072 Li\n0.506954 0.330158 0.749785 Li\n0.375472 0.876254 0.375148 Li\n0.503029 0.001041 0.750494 Li\n0.251779 0.748852 0.999500 Li\n0.489925 0.668572 0.749417 Li\n0.239715 0.420354 0.999984 Li\n0.375080 0.874639 0.874780 Li\n0.259284 0.081411 0.500606 Li\n0.248524 0.749550 0.499611 Li\n0.123726 0.623722 0.125174 Li\n0.240886 0.419547 0.500414 Li\n0.007075 0.830545 0.250706 Li\n0.254586 0.079093 0.999678 Li\n0.123528 0.623260 0.625039 Li\n0.998749 0.499855 0.250132 Li\n0.007280 0.831078 0.750656 Li\n0.999294 0.500325 0.749163 Li\n0.874967 0.708421 0.375316 Mn\n0.873162 0.041403 0.874133 Mn\n0.123980 0.290318 0.624534 Mn\n0.876469 0.038145 0.374727 Cr\n0.877703 0.711939 0.875273 Cr\n0.627074 0.797061 0.125721 Cr\n0.621090 0.461769 0.125335 Cr\n0.629627 0.796353 0.626122 Cr\n0.617770 0.457679 0.624343 Cr\n0.381468 0.544523 0.375440 Cr\n0.369605 0.211833 0.374688 Cr\n0.383785 0.540565 0.875911 Cr\n0.365657 0.207287 0.874380 Cr\n0.121249 0.952820 0.124192 Cr\n0.130308 0.288559 0.124939 Cr\n0.126224 0.954151 0.625016 Cr\n0.964491 0.102420 0.068616 O\n0.936074 0.787174 0.068700 O\n0.925226 0.426279 0.067931 O\n0.964544 0.107398 0.569472 O\n0.813940 0.962139 0.181187 O\n0.824690 0.323005 0.182132 O\n0.936293 0.789899 0.568898 O\n0.930483 0.427360 0.567671 O\n0.786125 0.647144 0.181168 O\n0.711325 0.854547 0.318905 O\n0.814691 0.962303 0.681513 O\n0.823232 0.324071 0.681640 O\n0.681093 0.536438 0.319506 O\n0.672583 0.177084 0.317572 O\n0.783329 0.645112 0.681320 O\n0.711473 0.859391 0.819165 O\n0.468446 0.606620 0.069566 O\n0.574900 0.715929 0.431073 O\n0.578813 0.073483 0.432127 O\n0.673112 0.537531 0.819089 O\n0.679882 0.178169 0.817992 O\n0.433158 0.923502 0.067251 O\n0.418875 0.284572 0.068627 O\n0.531597 0.397223 0.431333 O\n0.470082 0.605402 0.569184 O\n0.578907 0.714997 0.931443 O\n0.573588 0.073443 0.931517 O\n0.316329 0.826834 0.182730 O\n0.331833 0.465465 0.181434 O\n0.434054 0.922795 0.567302 O\n0.425844 0.283901 0.569192 O\n0.531844 0.395824 0.931460 O\n0.281830 0.143914 0.180456 O\n0.217384 0.356577 0.318685 O\n0.316844 0.826331 0.682947 O\n0.320073 0.463092 0.680724 O\n0.175788 0.676929 0.318320 O\n0.168570 0.035349 0.318511 O\n0.285735 0.142903 0.680620 O\n0.218978 0.352442 0.818797 O\n0.069139 0.572280 0.432103 O\n0.080014 0.213357 0.430948 O\n0.172750 0.674544 0.818126 O\n0.174522 0.032793 0.818855 O\n0.036351 0.891439 0.430887 O\n0.074152 0.571870 0.932633 O\n0.070972 0.212914 0.930451 O\n0.036109 0.894238 0.930787 O\n",
"nsites": 96,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Li-Mn-O",
"density": 3.6099764904297675,
"density_atomic": 0.11399204450702008,
"volume": 842.1640335969931,
"volume_molar": 5.282948284719231,
"formula_full": "Li32 Mn3 Cr13 O48",
"formula_reduced": "Li32Mn3Cr13O48",
"formula_anonymous": "A3B13C32D48",
"energy": -665.93200355,
"energy_per_atom": -6.9367917036458335,
"energy_above_hull": null,
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"formation_energy": null,
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"band_gap": 0.9956999999999998,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.805000Z",
"spacegroup": 1
},
{
"id": "mp-1180478",
"created_at": "2022-09-04T14:41:49.871955Z",
"structure_string": "Mg4 Cl2 O14\n1.0\n6.679004 0.000000 0.000000\n-0.536132 6.852415 0.000000\n-1.540605 -3.049120 6.756973\nMg Cl O\n4 2 14\ndirect\n0.154378 0.939704 0.385999 Mg\n0.845622 0.060296 0.614001 Mg\n0.194740 0.942859 0.885764 Mg\n0.805260 0.057141 0.114236 Mg\n0.280411 0.500771 0.842679 Cl\n0.719589 0.499229 0.157321 Cl\n0.049698 0.851002 0.083567 O\n0.950302 0.148998 0.916433 O\n0.058361 0.854309 0.587560 O\n0.941639 0.145691 0.412440 O\n0.247651 0.004206 0.175727 O\n0.752349 0.995794 0.824273 O\n0.251489 0.036242 0.678506 O\n0.748511 0.963758 0.321494 O\n0.398264 0.737620 0.886162 O\n0.601736 0.262380 0.113838 O\n0.369573 0.668374 0.352109 O\n0.630427 0.331626 0.647891 O\n0.292661 0.490758 0.336410 O\n0.707339 0.509242 0.663590 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Mg",
"Cl",
"O"
],
"chemical_system": "Cl-Mg-O",
"density": 2.1055128152075917,
"density_atomic": 0.06467291725515925,
"volume": 309.24845899702336,
"volume_molar": 9.311688749465816,
"formula_full": "Mg4 Cl2 O14",
"formula_reduced": "Mg2ClO7",
"formula_anonymous": "AB2C7",
"energy": -96.55960348,
"energy_per_atom": -4.827980174,
"energy_above_hull": null,
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"energy_uncorrected": -94.30560348,
"band_gap": 0.2036,
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"updated_at": "2021-11-28T01:35:27.774000Z",
"spacegroup": 2
},
{
"id": "mp-760061",
"created_at": "2022-09-04T14:41:49.798419Z",
"structure_string": "Na2 Mn16 O32\n1.0\n5.924289 0.000000 0.000000\n0.000000 8.379962 0.000000\n0.000000 0.000000 11.858287\nNa Mn O\n2 16 32\ndirect\n0.500000 0.374255 0.000000 Na\n0.000000 0.625745 0.500000 Na\n0.247291 0.995087 0.000000 Mn\n0.252709 0.004913 0.500000 Mn\n0.752709 0.995087 0.000000 Mn\n0.747291 0.004913 0.500000 Mn\n0.000000 0.245174 0.373788 Mn\n0.000000 0.245293 0.872617 Mn\n0.000000 0.245293 0.127383 Mn\n0.000000 0.245174 0.626212 Mn\n0.750000 0.500000 0.750000 Mn\n0.250000 0.500000 0.250000 Mn\n0.750000 0.500000 0.250000 Mn\n0.250000 0.500000 0.750000 Mn\n0.500000 0.754826 0.873788 Mn\n0.500000 0.754826 0.126212 Mn\n0.500000 0.754707 0.627383 Mn\n0.500000 0.754707 0.372617 Mn\n0.000000 0.015344 0.392116 O\n0.000000 0.010672 0.891042 O\n0.000000 0.010672 0.108958 O\n0.000000 0.015344 0.607884 O\n0.784328 0.235101 0.500000 O\n0.788488 0.226125 0.000000 O\n0.215672 0.235101 0.500000 O\n0.211512 0.226125 0.000000 O\n0.781443 0.263989 0.248703 O\n0.218557 0.263989 0.751297 O\n0.781443 0.263989 0.751297 O\n0.218557 0.263989 0.248703 O\n0.000000 0.478087 0.644299 O\n0.000000 0.478087 0.355701 O\n0.000000 0.480076 0.140298 O\n0.000000 0.480076 0.859702 O\n0.500000 0.521913 0.855701 O\n0.500000 0.519924 0.359702 O\n0.500000 0.521913 0.144299 O\n0.500000 0.519924 0.640298 O\n0.281443 0.736011 0.251297 O\n0.718557 0.736011 0.748703 O\n0.281443 0.736011 0.748703 O\n0.718557 0.736011 0.251297 O\n0.288488 0.773875 0.500000 O\n0.284328 0.764899 0.000000 O\n0.715672 0.764899 0.000000 O\n0.711512 0.773875 0.500000 O\n0.500000 0.984656 0.892116 O\n0.500000 0.984656 0.107884 O\n0.500000 0.989328 0.608958 O\n0.500000 0.989328 0.391042 O\n",
"nsites": 50,
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"elements": [
"Na",
"Mn",
"O"
],
"chemical_system": "Mn-Na-O",
"density": 4.053183552527069,
"density_atomic": 0.08493168917753303,
"volume": 588.7084135991315,
"volume_molar": 7.090569866580537,
"formula_full": "Na2 Mn16 O32",
"formula_reduced": "NaMn8O16",
"formula_anonymous": "AB8C16",
"energy": -397.64811251,
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"updated_at": "2021-11-28T01:35:26.359000Z",
"spacegroup": 59
},
{
"id": "mp-1392819",
"created_at": "2022-09-04T14:41:49.810301Z",
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}