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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=total_magnetization&page=10216",
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"results": [
{
"id": "mp-1277566",
"created_at": "2022-09-04T14:43:13.404666Z",
"structure_string": "Ca2 La6 Co4 O16\n1.0\n0.001326 -5.378010 -0.000585\n0.000738 0.001156 12.851359\n-5.381981 0.001326 -0.000645\nCa La Co O\n2 6 4 16\ndirect\n0.499884 0.142492 0.998726 Ca\n0.499978 0.643407 0.499298 Ca\n0.999630 0.139999 0.498457 La\n0.999931 0.639809 0.998186 La\n0.999964 0.356383 0.997054 La\n0.000262 0.857144 0.497016 La\n0.500096 0.358983 0.498657 La\n0.500068 0.859629 0.998348 La\n0.499975 0.502487 0.995756 Co\n0.500096 0.005085 0.495825 Co\n0.000083 0.005576 0.996026 Co\n0.000083 0.509307 0.495532 Co\n0.500024 0.321094 0.989735 O\n0.499957 0.825042 0.490478 O\n0.999944 0.321186 0.493160 O\n0.000040 0.818698 0.993123 O\n0.999933 0.177764 0.990597 O\n0.000056 0.676909 0.491037 O\n0.500086 0.176342 0.491374 O\n0.500005 0.679172 0.990921 O\n0.742986 0.497322 0.239419 O\n0.755393 0.997845 0.750463 O\n0.256910 0.497203 0.239366 O\n0.244642 0.997938 0.750373 O\n0.255214 0.497933 0.753728 O\n0.243446 0.998624 0.242900 O\n0.744745 0.498029 0.753701 O\n0.756570 0.998600 0.242745 O\n",
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"elements": [
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"O"
],
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"volume": 371.97417371689596,
"volume_molar": 8.000288690028,
"formula_full": "Ca2 La6 Co4 O16",
"formula_reduced": "CaLa3(CoO4)2",
"formula_anonymous": "AB2C3D8",
"energy": -223.10381277,
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"updated_at": "2021-11-28T01:36:07.269000Z",
"spacegroup": 38
},
{
"id": "mp-1302334",
"created_at": "2022-09-04T14:48:29.992133Z",
"structure_string": "Li6 V8 O16\n1.0\n-0.012473 -0.014024 5.907016\n8.988081 -4.958834 2.946801\n1.720427 4.819494 2.938465\nLi V O\n6 8 16\ndirect\n0.999488 0.250029 0.250780 Li\n0.000587 0.750018 0.749142 Li\n0.146440 0.034002 0.183335 Li\n0.146845 0.534138 0.682616 Li\n0.853035 0.465866 0.317452 Li\n0.853907 0.966060 0.816456 Li\n0.499921 0.499943 0.999999 V\n0.499661 0.000030 0.499988 V\n0.499292 0.250277 0.250868 V\n0.500707 0.749737 0.749355 V\n0.499437 0.251168 0.751720 V\n0.500645 0.748754 0.248245 V\n0.000400 0.249679 0.750212 V\n0.999516 0.750453 0.249930 V\n0.280222 0.351098 0.619935 O\n0.280695 0.850693 0.118728 O\n0.719540 0.149248 0.881214 O\n0.719858 0.648822 0.379981 O\n0.257073 0.132699 0.388724 O\n0.257729 0.632073 0.888558 O\n0.724929 0.129814 0.400809 O\n0.727511 0.628873 0.897092 O\n0.251095 0.137165 0.866609 O\n0.250152 0.636898 0.366447 O\n0.272523 0.370971 0.102870 O\n0.275140 0.870153 0.599210 O\n0.749881 0.363112 0.633472 O\n0.748905 0.862920 0.133454 O\n0.741951 0.368029 0.111590 O\n0.742916 0.867281 0.611208 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Li",
"V",
"O"
],
"chemical_system": "Li-O-V",
"density": 3.815034584843862,
"density_atomic": 0.09774122868581799,
"volume": 306.93291258321295,
"volume_molar": 6.161310678176279,
"formula_full": "Li6 V8 O16",
"formula_reduced": "Li3V4O8",
"formula_anonymous": "A3B4C8",
"energy": -237.28604934,
"energy_per_atom": -7.909534978,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -212.69404934,
"band_gap": 1.0954000000000006,
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"total_magnetization": 10.0002994,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:42.846000Z",
"spacegroup": 2
},
{
"id": "mp-1306312",
"created_at": "2022-09-04T14:46:59.091283Z",
"structure_string": "Li4 Ti2 V6 O16\n1.0\n6.036711 -0.054092 0.025561\n-0.043147 6.798271 4.851607\n0.052905 -3.469369 4.952090\nLi Ti V O\n4 2 6 16\ndirect\n0.253890 0.125990 0.006601 Li\n0.753545 0.626016 0.507897 Li\n0.746473 0.873992 0.992072 Li\n0.246122 0.373986 0.493324 Li\n0.000457 0.498682 0.000430 Ti\n0.499485 0.001350 0.499784 Ti\n0.250031 0.750064 0.749923 V\n0.750004 0.249945 0.749885 V\n0.249996 0.749968 0.249955 V\n0.499076 0.499952 0.000574 V\n0.000881 0.000085 0.499479 V\n0.749964 0.249840 0.250100 V\n0.530142 0.259868 0.005857 O\n0.029660 0.760387 0.508170 O\n0.470357 0.739620 0.991901 O\n0.969835 0.240153 0.494120 O\n0.757733 0.480466 0.232383 O\n0.259451 0.981307 0.730945 O\n0.757947 0.491395 0.782152 O\n0.258252 0.992170 0.281466 O\n0.980676 0.264655 0.007123 O\n0.476557 0.763422 0.504110 O\n0.023477 0.736573 0.995909 O\n0.519342 0.235369 0.492852 O\n0.241730 0.507884 0.218524 O\n0.742048 0.008654 0.717844 O\n0.240581 0.518647 0.769037 O\n0.742290 0.019559 0.267584 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"Ti",
"V",
"O"
],
"chemical_system": "Li-O-Ti-V",
"density": 3.7324928735966796,
"density_atomic": 0.0918608047657869,
"volume": 304.8089995661399,
"volume_molar": 6.555723929650262,
"formula_full": "Li4 Ti2 V6 O16",
"formula_reduced": "Li2TiV3O8",
"formula_anonymous": "AB2C3D8",
"energy": -233.27495364000004,
"energy_per_atom": -8.331248344285715,
"energy_above_hull": null,
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"energy_uncorrected": -212.08295364,
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"updated_at": "2021-11-28T01:37:48.952000Z",
"spacegroup": 12
},
{
"id": "mp-1176024",
"created_at": "2022-09-04T14:43:47.633222Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.941974 0.000000 0.000000\n1.101875 9.665079 0.000000\n0.436209 0.730480 10.087001\nLi Mn Co O\n9 2 5 16\ndirect\n0.867900 0.247174 0.808126 Li\n0.118625 0.759552 0.690862 Li\n0.382338 0.247847 0.560758 Li\n0.622988 0.753920 0.438690 Li\n0.879575 0.246436 0.313110 Li\n0.130236 0.746665 0.189594 Li\n0.378767 0.249294 0.064683 Li\n0.612176 0.755578 0.929877 Li\n0.514246 0.991394 0.751449 Li\n0.996083 0.999056 0.994411 Mn\n0.250037 0.501627 0.374914 Mn\n0.249393 0.498964 0.874897 Co\n0.752573 0.497041 0.625504 Co\n0.003570 0.001710 0.508873 Co\n0.489751 0.002504 0.251383 Co\n0.747011 0.502482 0.123975 Co\n0.464404 0.109238 0.918368 O\n0.678930 0.613662 0.783741 O\n0.941661 0.114314 0.636600 O\n0.187501 0.613573 0.532420 O\n0.423672 0.110650 0.403651 O\n0.653669 0.622213 0.280857 O\n0.906023 0.112407 0.155314 O\n0.180774 0.614211 0.035616 O\n0.317821 0.380892 0.716735 O\n0.590284 0.884907 0.583834 O\n0.846690 0.382422 0.468733 O\n0.081337 0.893202 0.349182 O\n0.320285 0.386093 0.218224 O\n0.525693 0.895545 0.091780 O\n0.821564 0.383622 0.964891 O\n0.064422 0.881804 0.858945 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.185833721590885,
"density_atomic": 0.11156903480116162,
"volume": 286.8179334618285,
"volume_molar": 5.397681149373267,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.0956289,
"energy_per_atom": -6.502988403125,
"energy_above_hull": null,
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"energy_uncorrected": -185.5776289,
"band_gap": 0.1158000000000001,
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"is_magnetic": true,
"total_magnetization": 10.0003019,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:20.113000Z",
"spacegroup": 1
},
{
"id": "mp-1211139",
"created_at": "2022-09-04T14:43:38.291335Z",
"structure_string": "Na2 Al4 H16 Cl8 O16\n1.0\n0.000000 0.000000 7.998918\n10.146027 0.000000 0.000000\n0.000000 10.146027 0.000000\nNa Al H Cl O\n2 4 16 8 16\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Na\n0.500000 0.750000 0.250000 Al\n0.500000 0.250000 0.750000 Al\n0.500000 0.250000 0.250000 Al\n0.500000 0.750000 0.750000 Al\n0.781761 0.124326 0.037106 H\n0.781761 0.875674 0.962894 H\n0.781761 0.462894 0.624326 H\n0.218239 0.375674 0.537106 H\n0.218239 0.375674 0.462894 H\n0.781761 0.537106 0.375674 H\n0.218239 0.624326 0.462894 H\n0.218239 0.624326 0.537106 H\n0.218239 0.037106 0.124326 H\n0.218239 0.037106 0.875674 H\n0.218239 0.962894 0.875674 H\n0.218239 0.962894 0.124326 H\n0.781761 0.124326 0.962894 H\n0.781761 0.875674 0.037106 H\n0.781761 0.537106 0.624326 H\n0.781761 0.462894 0.375674 H\n0.262599 0.179538 0.320462 Cl\n0.262599 0.820462 0.679538 Cl\n0.262599 0.179538 0.679538 Cl\n0.737401 0.320462 0.820462 Cl\n0.737401 0.320462 0.179538 Cl\n0.262599 0.820462 0.320462 Cl\n0.737401 0.679538 0.179538 Cl\n0.737401 0.679538 0.820462 Cl\n0.608312 0.263842 0.564663 O\n0.608312 0.736158 0.435337 O\n0.608312 0.935337 0.763842 O\n0.391688 0.236158 0.064663 O\n0.391688 0.236158 0.935337 O\n0.608312 0.064663 0.236158 O\n0.391688 0.763842 0.935337 O\n0.391688 0.763842 0.064663 O\n0.391688 0.564663 0.263842 O\n0.391688 0.564663 0.736158 O\n0.391688 0.435337 0.736158 O\n0.391688 0.435337 0.263842 O\n0.608312 0.263842 0.435337 O\n0.608312 0.736158 0.564663 O\n0.608312 0.064663 0.763842 O\n0.608312 0.935337 0.236158 O\n",
"nsites": 46,
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"elements": [
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"Al",
"H",
"Cl",
"O"
],
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"density": 1.4310943854980538,
"density_atomic": 0.055864325510328806,
"volume": 823.4235279811088,
"volume_molar": 10.779939979560947,
"formula_full": "Na2 Al4 H16 Cl8 O16",
"formula_reduced": "NaAl2H8(ClO2)4",
"formula_anonymous": "AB2C4D8E8",
"energy": -186.29906320000003,
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"updated_at": "2021-11-28T01:36:17.287000Z",
"spacegroup": 129
},
{
"id": "mp-743867",
"created_at": "2022-09-04T14:40:38.143559Z",
"structure_string": "Ti2 Mn2 O6\n1.0\n3.271871 0.000000 0.000000\n-0.239231 5.952229 0.000000\n-1.629984 -1.201934 5.831567\nTi Mn O\n2 2 6\ndirect\n0.877921 0.573433 0.742940 Ti\n0.122079 0.426567 0.257060 Ti\n0.639148 0.886198 0.219532 Mn\n0.360852 0.113802 0.780468 Mn\n0.417857 0.781538 0.793108 O\n0.277163 0.367020 0.577317 O\n0.065623 0.691067 0.102912 O\n0.582143 0.218462 0.206892 O\n0.722837 0.632980 0.422683 O\n0.934377 0.308933 0.897088 O\n",
"nsites": 10,
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"elements": [
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"Mn",
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],
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"density": 4.409899644458129,
"density_atomic": 0.08805193948438692,
"volume": 113.56933258435684,
"volume_molar": 6.839305068422515,
"formula_full": "Ti2 Mn2 O6",
"formula_reduced": "TiMnO3",
"formula_anonymous": "ABC3",
"energy": -91.34469726,
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"energy_above_hull": null,
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"energy_uncorrected": -83.88669726,
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"updated_at": "2021-11-28T01:35:07.110000Z",
"spacegroup": 2
},
{
"id": "mp-560311",
"created_at": "2022-09-04T14:47:20.319432Z",
"structure_string": "Na6 Fe2 F12\n1.0\n5.816115 0.000000 0.000000\n0.000000 5.570566 0.000000\n0.000000 5.514448 8.076644\nNa Fe F\n6 2 12\ndirect\n0.941879 0.272353 0.244338 Na\n0.441879 0.727647 0.255662 Na\n0.058121 0.727647 0.755662 Na\n0.558121 0.272353 0.744338 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.280005 0.240010 0.926625 F\n0.780005 0.759990 0.573375 F\n0.177055 0.658812 0.053093 F\n0.677055 0.341188 0.446907 F\n0.940882 0.105941 0.774075 F\n0.440882 0.894059 0.725925 F\n0.719995 0.759990 0.073375 F\n0.219995 0.240010 0.426625 F\n0.559118 0.105941 0.274075 F\n0.059118 0.894059 0.225925 F\n0.322945 0.658812 0.553093 F\n0.822945 0.341188 0.946907 F\n",
"nsites": 20,
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"elements": [
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"Fe",
"F"
],
"chemical_system": "F-Fe-Na",
"density": 3.0308103562031667,
"density_atomic": 0.07643050794874542,
"volume": 261.67561274631424,
"volume_molar": 7.879236867087773,
"formula_full": "Na6 Fe2 F12",
"formula_reduced": "Na3FeF6",
"formula_anonymous": "AB3C6",
"energy": -105.80129197,
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"energy_above_hull": null,
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"energy_uncorrected": -95.74529197,
"band_gap": 3.1439,
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"updated_at": "2021-11-28T01:38:01.733000Z",
"spacegroup": 14
},
{
"id": "mp-1046529",
"created_at": "2022-09-04T14:45:06.829482Z",
"structure_string": "Zn1 Mo4 O8\n1.0\n3.210698 0.000000 0.000000\n-1.461547 7.444621 0.000000\n-1.536042 -0.970226 7.824214\nZn Mo O\n1 4 8\ndirect\n0.535461 0.860776 0.212502 Zn\n0.187247 0.824410 0.560958 Mo\n0.335315 0.489435 0.199997 Mo\n0.677602 0.517468 0.839416 Mo\n0.830446 0.201012 0.488888 Mo\n0.465102 0.330065 0.608746 O\n0.195787 0.668021 0.741638 O\n0.818691 0.349850 0.293716 O\n0.539134 0.697466 0.419026 O\n0.817027 0.992024 0.639848 O\n0.881747 0.681316 0.103190 O\n0.178907 0.013630 0.355130 O\n0.168734 0.383889 0.945736 O\n",
"nsites": 13,
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"elements": [
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"Mo",
"O"
],
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"density": 5.124667724644397,
"density_atomic": 0.06951212759854701,
"volume": 187.01772552667103,
"volume_molar": 8.663438982589676,
"formula_full": "Zn1 Mo4 O8",
"formula_reduced": "Zn(MoO2)4",
"formula_anonymous": "AB4C8",
"energy": -106.87811149,
"energy_per_atom": -8.22139319153846,
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"updated_at": "2021-11-28T01:36:47.485000Z",
"spacegroup": 1
},
{
"id": "mp-1177612",
"created_at": "2022-09-04T14:43:36.613536Z",
"structure_string": "Li6 Mn2 P2 C2 O14\n1.0\n-5.194508 0.000000 0.000000\n-0.019642 -6.719945 0.000000\n0.242614 1.579357 8.634493\nLi Mn P C O\n6 2 2 2 14\ndirect\n0.432913 0.490709 0.214210 Li\n0.324249 0.883232 0.229062 Li\n0.038093 0.238328 0.253924 Li\n0.961907 0.761672 0.746076 Li\n0.675751 0.116768 0.770938 Li\n0.567087 0.509291 0.785790 Li\n0.849351 0.742039 0.368327 Mn\n0.150649 0.257961 0.631673 Mn\n0.651862 0.243020 0.425563 P\n0.348138 0.756980 0.574437 P\n0.803127 0.726916 0.056844 C\n0.196873 0.273084 0.943156 C\n0.239815 0.275870 0.088507 O\n0.029359 0.745960 0.121032 O\n0.608459 0.709529 0.147412 O\n0.738838 0.417609 0.341921 O\n0.811369 0.057267 0.350243 O\n0.356564 0.202611 0.403270 O\n0.272362 0.705848 0.398142 O\n0.727638 0.294152 0.601858 O\n0.643436 0.797389 0.596730 O\n0.188631 0.942733 0.649757 O\n0.261162 0.582391 0.658079 O\n0.391541 0.290471 0.852588 O\n0.970641 0.254040 0.878968 O\n0.760185 0.724130 0.911493 O\n",
"nsites": 26,
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"elements": [
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"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-O-P",
"density": 2.542479510374994,
"density_atomic": 0.08626335962048139,
"volume": 301.40258986420065,
"volume_molar": 6.981110852272176,
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