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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=total_magnetization&page=11551",
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"results": [
{
"id": "mp-17703",
"created_at": "2022-09-04T14:47:40.842177Z",
"structure_string": "Ba2 Ho2 Co8 O14\n1.0\n3.191291 -5.527478 0.000000\n3.191291 5.527478 0.000000\n0.000000 0.000000 10.404876\nBa Ho Co O\n2 2 8 14\ndirect\n0.333333 0.666667 0.977251 Ba\n0.666667 0.333333 0.477251 Ba\n0.333333 0.666667 0.373517 Ho\n0.666667 0.333333 0.873517 Ho\n0.830475 0.169525 0.183701 Co\n0.660949 0.830475 0.683701 Co\n0.169525 0.339051 0.683701 Co\n0.830475 0.660949 0.183701 Co\n0.339051 0.169525 0.183701 Co\n0.169525 0.830475 0.683701 Co\n0.000000 0.000000 0.938858 Co\n0.000000 0.000000 0.438858 Co\n0.832198 0.167802 0.999143 O\n0.664396 0.832198 0.499143 O\n0.167802 0.335604 0.499143 O\n0.832198 0.664396 0.999143 O\n0.335604 0.167802 0.999143 O\n0.167802 0.832198 0.499143 O\n0.000000 0.000000 0.740389 O\n0.000000 0.000000 0.240389 O\n0.507985 0.492015 0.256484 O\n0.015969 0.507985 0.756484 O\n0.492015 0.984031 0.756484 O\n0.507985 0.015969 0.256484 O\n0.492015 0.507985 0.756484 O\n0.984031 0.492015 0.256484 O\n",
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],
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"density": 5.880614279308127,
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"volume": 367.07967175706244,
"volume_molar": 8.502328667137027,
"formula_full": "Ba2 Ho2 Co8 O14",
"formula_reduced": "BaHoCo4O7",
"formula_anonymous": "ABC4D7",
"energy": -192.7647684,
"energy_per_atom": -7.414029553846154,
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"updated_at": "2021-11-28T01:38:15.465000Z",
"spacegroup": 186
},
{
"id": "mp-1100558",
"created_at": "2022-09-04T14:46:16.190440Z",
"structure_string": "Li9 Mn7 O16\n1.0\n5.080861 0.000000 0.000000\n-1.342942 5.840864 0.000000\n-2.041112 -0.855616 9.988791\nLi Mn O\n9 7 16\ndirect\n0.500000 0.000000 0.000000 Li\n0.988721 0.869772 0.121553 Li\n0.011279 0.130228 0.878447 Li\n0.498560 0.737623 0.246076 Li\n0.997705 0.624853 0.371848 Li\n0.500000 0.500000 0.500000 Li\n0.002295 0.375147 0.628152 Li\n0.501440 0.262377 0.753924 Li\n0.500000 0.500000 0.000000 Li\n0.995432 0.611289 0.878592 Mn\n0.004568 0.388711 0.121408 Mn\n0.506357 0.263128 0.243505 Mn\n0.005170 0.129188 0.373144 Mn\n0.500000 0.000000 0.500000 Mn\n0.994830 0.870812 0.626856 Mn\n0.493643 0.736872 0.756495 Mn\n0.214969 0.660405 0.058824 O\n0.770948 0.557439 0.181116 O\n0.751134 0.802874 0.924657 O\n0.254400 0.438209 0.297646 O\n0.755403 0.305220 0.422349 O\n0.253377 0.181450 0.553144 O\n0.749219 0.050554 0.675625 O\n0.224198 0.897818 0.815235 O\n0.785031 0.339595 0.941176 O\n0.248866 0.197126 0.075343 O\n0.229052 0.442561 0.818884 O\n0.775802 0.102182 0.184765 O\n0.250781 0.949446 0.324375 O\n0.746623 0.818550 0.446856 O\n0.244597 0.694780 0.577651 O\n0.745600 0.561791 0.702354 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.938156529173296,
"density_atomic": 0.10794999935063451,
"volume": 296.43353582671335,
"volume_molar": 5.578638996040533,
"formula_full": "Li9 Mn7 O16",
"formula_reduced": "Li9Mn7O16",
"formula_anonymous": "A7B9C16",
"energy": -228.85144395,
"energy_per_atom": -7.1516076234375,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -206.18344395,
"band_gap": 0.5974000000000004,
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"is_magnetic": true,
"total_magnetization": 26.000125,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:24.704000Z",
"spacegroup": 2
},
{
"id": "mp-1176726",
"created_at": "2022-09-04T14:45:21.705958Z",
"structure_string": "Li2 Fe6 O8\n1.0\n4.183031 4.345134 0.000000\n-4.183031 4.345134 0.000000\n0.000000 4.279736 4.362800\nLi Fe O\n2 6 8\ndirect\n0.500000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.757883 0.260967 0.997550 O\n0.722202 0.734663 0.020642 O\n0.260967 0.757883 0.497550 O\n0.265337 0.277798 0.479358 O\n0.734663 0.722202 0.520642 O\n0.739033 0.242117 0.502450 O\n0.277798 0.265337 0.979358 O\n0.242117 0.739033 0.002450 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 4.993785034630602,
"density_atomic": 0.10088588896756587,
"volume": 158.59502417770133,
"volume_molar": 5.969259746460755,
"formula_full": "Li2 Fe6 O8",
"formula_reduced": "LiFe3O4",
"formula_anonymous": "AB3C4",
"energy": -121.00412128,
"energy_per_atom": -7.56275758,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -101.97212128,
"band_gap": 0.9192,
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"is_magnetic": true,
"total_magnetization": 26.0001272,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:00.414000Z",
"spacegroup": 15
},
{
"id": "mp-755341",
"created_at": "2022-09-04T14:45:19.549484Z",
"structure_string": "Fe6 O2 F10\n1.0\n4.811034 0.000000 0.000000\n0.083303 5.766312 0.000000\n0.062661 0.494976 8.106930\nFe O F\n6 2 10\ndirect\n0.530667 0.662788 0.308124 Fe\n0.469333 0.337212 0.691876 Fe\n0.500000 0.000000 0.000000 Fe\n0.996559 0.168991 0.337505 Fe\n0.000000 0.500000 0.000000 Fe\n0.003441 0.831009 0.662495 Fe\n0.700029 0.698729 0.106234 O\n0.299971 0.301271 0.893766 O\n0.794792 0.198573 0.110703 F\n0.792188 0.860698 0.433500 F\n0.793116 0.529399 0.752774 F\n0.699964 0.045249 0.747920 F\n0.689980 0.375193 0.436561 F\n0.300036 0.954751 0.252080 F\n0.310020 0.624807 0.563439 F\n0.205208 0.801427 0.889297 F\n0.206884 0.470601 0.247226 F\n0.207812 0.139302 0.566500 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.112941169701898,
"density_atomic": 0.08003492064857891,
"volume": 224.901828528515,
"volume_molar": 7.524391492111673,
"formula_full": "Fe6 O2 F10",
"formula_reduced": "Fe3OF5",
"formula_anonymous": "AB3C5",
"energy": -122.17506794,
"energy_per_atom": -6.787503774444445,
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"band_gap": 1.6254,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:53.423000Z",
"spacegroup": 2
},
{
"id": "mp-778621",
"created_at": "2022-09-04T14:41:05.111310Z",
"structure_string": "Li32 Ti3 Cr13 O48\n1.0\n5.063727 0.000000 0.000000\n-0.011525 8.732729 0.000000\n-1.684533 -2.857599 19.271079\nLi Ti Cr O\n32 3 13 48\ndirect\n0.992230 0.169895 0.249070 Li\n0.873141 0.375102 0.375641 Li\n0.746788 0.252273 0.000249 Li\n0.742825 0.921483 0.000218 Li\n0.991317 0.169991 0.749798 Li\n0.754465 0.578391 0.500036 Li\n0.873039 0.375231 0.875711 Li\n0.742000 0.253137 0.500456 Li\n0.744897 0.921978 0.500425 Li\n0.624537 0.127160 0.125386 Li\n0.754030 0.578721 0.000037 Li\n0.510490 0.333148 0.249995 Li\n0.625488 0.126095 0.625166 Li\n0.502246 0.999605 0.250478 Li\n0.484587 0.666386 0.249530 Li\n0.515462 0.334164 0.750622 Li\n0.374355 0.873876 0.374748 Li\n0.500194 0.999867 0.750032 Li\n0.257406 0.747431 0.999750 Li\n0.485237 0.665940 0.749418 Li\n0.244488 0.421178 0.000223 Li\n0.374465 0.874307 0.874818 Li\n0.254952 0.077911 0.499354 Li\n0.258288 0.746780 0.499285 Li\n0.126801 0.622604 0.124523 Li\n0.245716 0.421341 0.499761 Li\n0.009176 0.830620 0.250333 Li\n0.255312 0.079034 0.000077 Li\n0.125903 0.624472 0.624330 Li\n0.003143 0.499501 0.249373 Li\n0.008464 0.829921 0.750299 Li\n0.999645 0.499881 0.749990 Li\n0.872275 0.710801 0.373712 Ti\n0.871500 0.711186 0.873649 Ti\n0.127628 0.288884 0.625464 Ti\n0.876992 0.047242 0.375167 Cr\n0.878066 0.047316 0.875366 Cr\n0.624093 0.797275 0.124634 Cr\n0.628060 0.462006 0.125208 Cr\n0.624655 0.797522 0.624821 Cr\n0.626578 0.462347 0.625101 Cr\n0.371911 0.537762 0.374730 Cr\n0.376599 0.202630 0.375578 Cr\n0.370642 0.538497 0.874853 Cr\n0.378268 0.203504 0.876010 Cr\n0.123888 0.951822 0.124929 Cr\n0.127640 0.287642 0.125508 Cr\n0.123713 0.952884 0.624693 Cr\n0.967403 0.104646 0.069769 O\n0.934705 0.788252 0.068435 O\n0.918080 0.426875 0.068126 O\n0.963629 0.103057 0.568659 O\n0.814423 0.961445 0.181535 O\n0.831783 0.322410 0.182538 O\n0.936377 0.787752 0.568770 O\n0.920737 0.428303 0.567713 O\n0.782805 0.643890 0.180195 O\n0.712728 0.860076 0.318465 O\n0.815745 0.960880 0.681664 O\n0.824188 0.322126 0.683374 O\n0.673372 0.533574 0.318789 O\n0.686210 0.174903 0.317803 O\n0.782998 0.643977 0.680212 O\n0.712313 0.859878 0.818538 O\n0.462337 0.610402 0.069221 O\n0.569414 0.713698 0.431315 O\n0.565573 0.075651 0.432700 O\n0.674527 0.532995 0.819014 O\n0.685916 0.174583 0.817842 O\n0.436141 0.925030 0.067457 O\n0.421284 0.286874 0.069136 O\n0.537341 0.389265 0.430984 O\n0.464806 0.608989 0.569326 O\n0.568483 0.713095 0.931179 O\n0.565478 0.075092 0.932737 O\n0.316128 0.826271 0.182517 O\n0.328056 0.465040 0.181166 O\n0.434012 0.923572 0.567243 O\n0.428966 0.284965 0.568315 O\n0.536900 0.388656 0.931302 O\n0.284885 0.141206 0.180960 O\n0.217353 0.357506 0.320260 O\n0.313950 0.825069 0.682024 O\n0.327713 0.466020 0.681335 O\n0.174172 0.678606 0.316216 O\n0.184837 0.039623 0.318387 O\n0.286892 0.140276 0.681562 O\n0.216660 0.359144 0.819931 O\n0.080320 0.571430 0.432367 O\n0.063531 0.212032 0.431341 O\n0.173353 0.679240 0.816176 O\n0.184957 0.040531 0.818563 O\n0.036025 0.896702 0.431189 O\n0.080306 0.571005 0.932394 O\n0.063272 0.212106 0.931266 O\n0.035325 0.896541 0.931438 O\n",
"nsites": 96,
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"elements": [
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"Ti",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O-Ti",
"density": 3.526252657044168,
"density_atomic": 0.11265356365721153,
"volume": 852.1701123642576,
"volume_molar": 5.345717050127683,
"formula_full": "Li32 Ti3 Cr13 O48",
"formula_reduced": "Li32Ti3Cr13O48",
"formula_anonymous": "A3B13C32D48",
"energy": -675.63006616,
"energy_per_atom": -7.037813189166666,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:20.343000Z",
"spacegroup": 1
},
{
"id": "mp-1306251",
"created_at": "2022-09-04T14:48:27.283228Z",
"structure_string": "Li12 Mn2 Fe4 O12\n1.0\n0.028673 -1.672090 2.751614\n4.300643 5.331688 3.456650\n-11.324088 3.083004 1.859973\nLi Mn Fe O\n12 2 4 12\ndirect\n0.505307 0.601141 0.492301 Li\n0.989372 0.602774 0.994634 Li\n0.492814 0.624539 0.137902 Li\n0.008800 0.623746 0.635884 Li\n0.495910 0.285755 0.469479 Li\n0.013785 0.292628 0.971735 Li\n0.507017 0.940617 0.161187 Li\n0.986107 0.933653 0.658437 Li\n0.000090 0.266269 0.325978 Li\n0.511392 0.268683 0.824420 Li\n0.002124 0.959327 0.304708 Li\n0.487644 0.957552 0.805870 Li\n0.499515 0.613063 0.815414 Mn\n0.999089 0.612825 0.315093 Mn\n0.998441 0.947060 0.984394 Fe\n0.001359 0.279273 0.646134 Fe\n0.497884 0.947439 0.481659 Fe\n0.502809 0.278153 0.148540 Fe\n0.474762 0.757922 0.008370 O\n0.996394 0.749961 0.507928 O\n0.001671 0.475758 0.121966 O\n0.524280 0.468747 0.622382 O\n0.494459 0.414579 0.336747 O\n0.000510 0.418099 0.842034 O\n0.507130 0.810805 0.293586 O\n0.997937 0.808527 0.788322 O\n0.001878 0.086296 0.175345 O\n0.472802 0.086602 0.669806 O\n0.001804 0.139619 0.455573 O\n0.526914 0.139540 0.960336 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
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"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O",
"density": 3.59072076571191,
"density_atomic": 0.1066016741542783,
"volume": 281.42147145440487,
"volume_molar": 5.649199046615826,
"formula_full": "Li12 Mn2 Fe4 O12",
"formula_reduced": "Li6Mn(FeO3)2",
"formula_anonymous": "AB2C6D6",
"energy": -191.24594274,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:39:24.073000Z",
"spacegroup": 2
},
{
"id": "mp-1100533",
"created_at": "2022-09-04T14:42:20.371383Z",
"structure_string": "Li9 Mn7 O16\n1.0\n6.506170 0.000000 0.000000\n-2.210334 6.556568 0.000000\n-3.178600 -1.428208 6.950400\nLi Mn O\n9 7 16\ndirect\n0.128732 0.188673 0.940019 Li\n0.379372 0.564975 0.814864 Li\n0.621485 0.940804 0.696777 Li\n0.877059 0.308199 0.561248 Li\n0.378515 0.059196 0.303223 Li\n0.620628 0.435025 0.185136 Li\n0.871268 0.811327 0.059981 Li\n0.122941 0.691801 0.438752 Li\n0.500000 0.000000 0.000000 Li\n0.005250 0.752519 0.752035 Mn\n0.994750 0.247481 0.247965 Mn\n0.750424 0.366109 0.878554 Mn\n0.249576 0.633891 0.121446 Mn\n0.747646 0.882488 0.370884 Mn\n0.500000 0.500000 0.500000 Mn\n0.252354 0.117512 0.629116 Mn\n0.178875 0.882361 0.023213 O\n0.444099 0.283457 0.890283 O\n0.693400 0.642708 0.771173 O\n0.942198 0.031053 0.641873 O\n0.439958 0.783202 0.388297 O\n0.705713 0.153523 0.284069 O\n0.942313 0.531228 0.140252 O\n0.196086 0.397528 0.519761 O\n0.057687 0.468772 0.859748 O\n0.294287 0.846477 0.715931 O\n0.560042 0.216798 0.611703 O\n0.803914 0.602472 0.480239 O\n0.306600 0.357292 0.228827 O\n0.555901 0.716543 0.109717 O\n0.821125 0.117639 0.976787 O\n0.057802 0.968947 0.358127 O\n",
"nsites": 32,
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"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.9373908928702526,
"density_atomic": 0.10792901226243623,
"volume": 296.49117812910185,
"volume_molar": 5.5797237774740145,
"formula_full": "Li9 Mn7 O16",
"formula_reduced": "Li9Mn7O16",
"formula_anonymous": "A7B9C16",
"energy": -228.45456871,
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"spacegroup": 2
},
{
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{
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"structure_string": "Mn8 O14 F2\n1.0\n4.962020 4.463334 0.000000\n-4.962020 4.463334 0.000000\n0.000000 4.309733 5.492694\nMn O F\n8 14 2\ndirect\n0.541056 0.536181 0.162867 Mn\n0.941022 0.447822 0.856847 Mn\n0.447822 0.941022 0.356847 Mn\n0.065766 0.057362 0.638454 Mn\n0.948967 0.437128 0.354118 Mn\n0.536181 0.541056 0.662867 Mn\n0.057362 0.065766 0.138454 Mn\n0.437128 0.948967 0.854118 Mn\n0.975507 0.146113 0.391084 O\n0.488425 0.652032 0.384907 O\n0.850103 0.522627 0.113177 O\n0.789846 0.118824 0.107881 O\n0.652032 0.488425 0.884907 O\n0.382259 0.201389 0.390988 O\n0.118824 0.789846 0.607881 O\n0.618334 0.288166 0.613187 O\n0.201389 0.382259 0.890988 O\n0.351488 0.026869 0.107457 O\n0.288166 0.618334 0.113187 O\n0.146113 0.975507 0.891084 O\n0.522627 0.850103 0.613177 O\n0.026869 0.351488 0.607457 O\n0.717559 0.895157 0.879032 F\n0.895157 0.717559 0.379032 F\n",
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{
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{
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{
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]
}