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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=83",
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"results": [
{
"id": "mp-756143",
"created_at": "2022-09-04T14:40:22.356059Z",
"structure_string": "Li5 Mn6 O12\n1.0\n6.142297 0.000000 0.000000\n-2.495070 6.058405 0.000000\n-1.504100 -1.582044 6.183171\nLi Mn O\n5 6 12\ndirect\n0.997042 0.330070 0.831464 Li\n0.002958 0.669930 0.168536 Li\n0.501254 0.325521 0.826097 Li\n0.498746 0.674479 0.173903 Li\n0.000000 0.000000 0.500000 Li\n0.747326 0.833048 0.833569 Mn\n0.251122 0.838171 0.827537 Mn\n0.747574 0.492802 0.503151 Mn\n0.252426 0.507198 0.496849 Mn\n0.748878 0.161829 0.172463 Mn\n0.252674 0.166952 0.166431 Mn\n0.849356 0.581895 0.817231 O\n0.354702 0.589429 0.811564 O\n0.102574 0.726441 0.511908 O\n0.897426 0.273559 0.488092 O\n0.624042 0.726527 0.515526 O\n0.375958 0.273473 0.484474 O\n0.150644 0.418105 0.182769 O\n0.645298 0.410571 0.188436 O\n0.858565 0.917578 0.153925 O\n0.352038 0.918601 0.139601 O\n0.141435 0.082422 0.846075 O\n0.647962 0.081399 0.860399 O\n",
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"formula_full": "Li5 Mn6 O12",
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{
"id": "mp-773709",
"created_at": "2022-09-04T14:40:22.370934Z",
"structure_string": "Li3 Fe1 Ni2 O6\n1.0\n1.457262 6.524755 0.000000\n-1.457262 6.524755 0.000000\n0.000000 1.403927 5.694138\nLi Fe Ni O\n3 1 2 6\ndirect\n0.500000 0.500000 0.500000 Li\n0.168276 0.168276 0.171676 Li\n0.831724 0.831724 0.828324 Li\n0.500000 0.500000 0.000000 Fe\n0.833915 0.833915 0.334442 Ni\n0.166085 0.166085 0.665558 Ni\n0.661884 0.661884 0.899677 O\n0.338116 0.338116 0.100323 O\n0.000655 0.000655 0.763062 O\n0.329197 0.329197 0.565262 O\n0.999345 0.999345 0.236938 O\n0.670803 0.670803 0.434738 O\n",
"nsites": 12,
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"elements": [
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"O"
],
"chemical_system": "Fe-Li-Ni-O",
"density": 4.447991319164556,
"density_atomic": 0.11082083369773556,
"volume": 108.28288869158003,
"volume_molar": 5.434123313334227,
"formula_full": "Li3 Fe1 Ni2 O6",
"formula_reduced": "Li3Fe(NiO3)2",
"formula_anonymous": "AB2C3D6",
"energy": -75.04842346000001,
"energy_per_atom": -6.254035288333334,
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"energy_uncorrected": -63.58842346,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.350000Z",
"spacegroup": 12
},
{
"id": "mp-983582",
"created_at": "2022-09-04T14:40:18.374323Z",
"structure_string": "Ca2 Nd6\n1.0\n3.741727 -6.480861 0.000000\n3.741727 6.480861 0.000000\n0.000000 0.000000 6.011861\nCa Nd\n2 6\ndirect\n0.333333 0.666667 0.750000 Ca\n0.666667 0.333333 0.250000 Ca\n0.164065 0.328131 0.250000 Nd\n0.671869 0.835935 0.250000 Nd\n0.164065 0.835935 0.250000 Nd\n0.835935 0.671869 0.750000 Nd\n0.328131 0.164065 0.750000 Nd\n0.835935 0.164065 0.750000 Nd\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Ca-Nd",
"density": 5.385381872478352,
"density_atomic": 0.027437608559677713,
"volume": 291.5706003531515,
"volume_molar": 21.948489960054804,
"formula_full": "Ca2 Nd6",
"formula_reduced": "CaNd3",
"formula_anonymous": "AB3",
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"updated_at": "2021-11-28T01:34:51.896000Z",
"spacegroup": 194
},
{
"id": "mp-1175604",
"created_at": "2022-09-04T14:40:22.326977Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.906463 0.000000 0.000000\n-2.628759 -5.884431 0.000000\n-2.852455 0.121696 -8.119566\nLi Mn Co O\n9 2 5 16\ndirect\n0.754035 0.747538 0.253370 Li\n0.256946 0.001133 0.498333 Li\n0.249050 0.749858 0.254298 Li\n0.742247 0.004802 0.496254 Li\n0.748061 0.253647 0.745494 Li\n0.249052 0.249962 0.746957 Li\n0.251823 0.497021 0.003567 Li\n0.750792 0.499361 0.002046 Li\n0.501066 0.250349 0.253658 Li\n0.010213 0.003173 0.999869 Mn\n0.001673 0.253010 0.251441 Mn\n0.986268 0.493029 0.498425 Co\n0.501522 0.749831 0.748735 Co\n0.504117 0.001962 0.001009 Co\n0.498010 0.496606 0.499641 Co\n0.000030 0.750080 0.748803 Co\n0.109782 0.008573 0.235913 O\n0.618638 0.268153 0.501480 O\n0.646522 0.019827 0.233158 O\n0.100024 0.252897 0.486830 O\n0.115528 0.515378 0.739706 O\n0.613987 0.513964 0.740589 O\n0.644969 0.777654 0.989120 O\n0.111965 0.758545 0.990162 O\n0.348728 0.481143 0.262344 O\n0.890098 0.739848 0.512789 O\n0.886575 0.490689 0.260163 O\n0.384279 0.734551 0.512006 O\n0.388310 0.985663 0.764939 O\n0.888219 0.989249 0.760546 O\n0.897097 0.245524 0.010335 O\n0.350374 0.216981 0.998019 O\n",
"nsites": 32,
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"elements": [
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],
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"density": 4.254254784403698,
"density_atomic": 0.11339272691265663,
"volume": 282.2050485182241,
"volume_molar": 5.310870391748047,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -209.18458704,
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"updated_at": "2021-11-28T01:34:52.111000Z",
"spacegroup": 1
},
{
"id": "mp-542700",
"created_at": "2022-09-04T14:40:18.375350Z",
"structure_string": "Ru2 C8 O8 F12\n1.0\n5.343501 0.000000 0.000000\n0.439252 8.736446 0.000000\n0.939858 1.252125 9.119488\nRu C O F\n2 8 8 12\ndirect\n0.320391 0.535443 0.442935 Ru\n0.679609 0.464557 0.557065 Ru\n0.455829 0.756608 0.622760 C\n0.544171 0.243392 0.377240 C\n0.227555 0.359566 0.735175 C\n0.772445 0.640434 0.264825 C\n0.068406 0.283572 0.873632 C\n0.931594 0.716428 0.126368 C\n0.424382 0.902436 0.701605 C\n0.575618 0.097564 0.298395 C\n0.287783 0.736846 0.540305 O\n0.712217 0.263154 0.459695 O\n0.105758 0.422244 0.628032 O\n0.894242 0.577756 0.371968 O\n0.536785 0.643478 0.263331 O\n0.463215 0.356522 0.736669 O\n0.355879 0.332782 0.348344 O\n0.644121 0.667218 0.651656 O\n0.292511 0.017834 0.624530 F\n0.707489 0.982166 0.375470 F\n0.648838 0.956246 0.721206 F\n0.351162 0.043754 0.278794 F\n0.936584 0.167127 0.840087 F\n0.063416 0.832873 0.159913 F\n0.901235 0.390684 0.924465 F\n0.098765 0.609316 0.075535 F\n0.294566 0.866942 0.835427 F\n0.705434 0.133058 0.164573 F\n0.214253 0.227093 0.980540 F\n0.785747 0.772907 0.019460 F\n",
"nsites": 30,
"nelements": 4,
"elements": [
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"C",
"O",
"F"
],
"chemical_system": "C-F-O-Ru",
"density": 2.551699783845416,
"density_atomic": 0.07046770160254497,
"volume": 425.7269545870436,
"volume_molar": 8.545958819497681,
"formula_full": "Ru2 C8 O8 F12",
"formula_reduced": "RuC4(O2F3)2",
"formula_anonymous": "AB4C4D6",
"energy": -204.50717512,
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"updated_at": "2021-11-28T01:34:55.780000Z",
"spacegroup": 2
},
{
"id": "mp-934429",
"created_at": "2022-09-04T14:40:18.377013Z",
"structure_string": "V4 P6 O24\n1.0\n8.449325 0.000000 0.000000\n-4.218259 7.323086 0.000000\n-0.017760 -4.853036 7.266749\nV P O\n4 6 24\ndirect\n0.296027 0.938662 0.921368 V\n0.786804 0.930852 0.427048 V\n0.213196 0.069148 0.572952 V\n0.703973 0.061338 0.078632 V\n0.741228 0.212187 0.253512 P\n0.527301 0.497144 0.752427 P\n0.971827 0.223245 0.748863 P\n0.028173 0.776755 0.251137 P\n0.472699 0.502856 0.247573 P\n0.258772 0.787813 0.746488 P\n0.538420 0.315092 0.770391 O\n0.410191 0.058421 0.425656 O\n0.048010 0.555607 0.080713 O\n0.623538 0.047839 0.228805 O\n0.719627 0.138240 0.781709 O\n0.144485 0.277324 0.933225 O\n0.882745 0.177876 0.276820 O\n0.336014 0.334166 0.409449 O\n0.765521 0.723871 0.717558 O\n0.322088 0.574886 0.582475 O\n0.798017 0.075289 0.922251 O\n0.031484 0.092659 0.710370 O\n0.968516 0.907341 0.289630 O\n0.201983 0.924711 0.077749 O\n0.677912 0.425114 0.417525 O\n0.234479 0.276129 0.282442 O\n0.663986 0.665834 0.590551 O\n0.117255 0.822124 0.723180 O\n0.855515 0.722676 0.066775 O\n0.280373 0.861760 0.218291 O\n0.376462 0.952161 0.771195 O\n0.951990 0.444393 0.919287 O\n0.589809 0.941579 0.574344 O\n0.461580 0.684908 0.229609 O\n",
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],
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"density": 2.856971956198356,
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"volume": 449.63106533583783,
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"formula_full": "V4 P6 O24",
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"energy": -119.39731898,
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},
{
"id": "mp-1208597",
"created_at": "2022-09-04T14:40:17.577635Z",
"structure_string": "Sr2 Yb2 Al6 Si2 N8 O6\n1.0\n3.069932 -5.317279 0.000000\n3.069932 5.317279 0.000000\n0.000000 0.000000 10.174349\nSr Yb Al Si N O\n2 2 6 2 8 6\ndirect\n0.666667 0.333333 0.557382 Sr\n0.333333 0.666667 0.057382 Sr\n0.666667 0.333333 0.925355 Yb\n0.333333 0.666667 0.425355 Yb\n0.165410 0.330820 0.740741 Al\n0.165410 0.834590 0.740741 Al\n0.834590 0.669180 0.240741 Al\n0.669180 0.834590 0.740741 Al\n0.834590 0.165410 0.240741 Al\n0.330820 0.165410 0.240741 Al\n0.000000 0.000000 0.000537 Si\n0.000000 0.000000 0.500537 Si\n0.150983 0.301965 0.559717 N\n0.150983 0.849017 0.559717 N\n0.849017 0.698035 0.059717 N\n0.698035 0.849017 0.559717 N\n0.849017 0.150983 0.059717 N\n0.301965 0.150983 0.059717 N\n0.000000 0.000000 0.821639 N\n0.000000 0.000000 0.321639 N\n0.488770 0.977540 0.791051 O\n0.488770 0.511230 0.791051 O\n0.511230 0.022460 0.291051 O\n0.022460 0.511230 0.791051 O\n0.511230 0.488770 0.291051 O\n0.977540 0.488770 0.291051 O\n",
"nsites": 26,
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"elements": [
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],
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"volume": 332.16573539700835,
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"formula_full": "Sr2 Yb2 Al6 Si2 N8 O6",
"formula_reduced": "SrYbAl3SiN4O3",
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"energy": -192.66027027,
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"spacegroup": 186
},
{
"id": "mp-1223257",
"created_at": "2022-09-04T14:40:18.314253Z",
"structure_string": "La2 Cr1 Mo1 O6\n1.0\n-5.649721 0.000007 0.000003\n-0.000007 5.649727 -0.000005\n-2.824861 2.824870 -4.064302\nLa Cr Mo O\n2 1 1 6\ndirect\n0.249999 0.749999 0.500003 La\n0.750004 0.250003 0.500000 La\n0.000006 0.000007 0.999990 Cr\n0.500001 0.500002 0.999997 Mo\n0.757599 0.757595 0.484800 O\n0.242400 0.242404 0.515192 O\n0.312007 0.172387 0.000008 O\n0.687993 0.827607 0.000004 O\n0.827608 0.312007 0.000002 O\n0.172383 0.687988 0.000004 O\n",
"nsites": 10,
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"elements": [
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],
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"density": 6.678297568604316,
"density_atomic": 0.07708318864382714,
"volume": 129.7299732397721,
"volume_molar": 7.812521596409409,
"formula_full": "La2 Cr1 Mo1 O6",
"formula_reduced": "La2CrMoO6",
"formula_anonymous": "ABC2D6",
"energy": -90.12380587,
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"spacegroup": 87
},
{
"id": "mp-772718",
"created_at": "2022-09-04T14:40:22.343605Z",
"structure_string": "Na4 Li8 Fe4 P4 C4 O28\n1.0\n6.640510 0.000000 0.000000\n-0.032667 8.652215 0.000000\n-0.011214 -0.310647 10.052765\nNa Li Fe P C O\n4 8 4 4 4 28\ndirect\n0.258913 0.085619 0.121144 Na\n0.250757 0.084574 0.622687 Na\n0.996367 0.253678 0.377001 Na\n0.501673 0.746070 0.623759 Na\n0.475712 0.276789 0.392093 Li\n0.020193 0.273790 0.888406 Li\n0.479462 0.275779 0.888823 Li\n0.516968 0.729539 0.112874 Li\n0.982841 0.727731 0.112508 Li\n0.979373 0.727242 0.610998 Li\n0.742934 0.905734 0.371269 Li\n0.761409 0.905366 0.876110 Li\n0.749658 0.351125 0.111027 Fe\n0.743489 0.355719 0.615097 Fe\n0.245555 0.647894 0.384435 Fe\n0.249657 0.650501 0.888262 Fe\n0.255910 0.417264 0.143779 P\n0.241106 0.414414 0.648579 P\n0.743990 0.592104 0.350419 P\n0.755483 0.589200 0.855587 P\n0.749479 0.039867 0.132171 C\n0.758064 0.044939 0.637297 C\n0.258287 0.946967 0.363591 C\n0.249091 0.951749 0.866998 C\n0.279733 0.095678 0.356938 O\n0.246084 0.101803 0.861530 O\n0.752166 0.079687 0.008851 O\n0.753106 0.077788 0.511897 O\n0.747845 0.148960 0.225695 O\n0.737061 0.155648 0.727480 O\n0.066771 0.323043 0.098952 O\n0.436980 0.323747 0.086323 O\n0.057286 0.313888 0.607762 O\n0.428323 0.326460 0.593421 O\n0.269245 0.425829 0.299798 O\n0.728864 0.428030 0.408546 O\n0.253621 0.426687 0.805492 O\n0.752390 0.421240 0.907658 O\n0.253392 0.585063 0.094679 O\n0.755423 0.574984 0.194660 O\n0.227762 0.579533 0.594556 O\n0.768960 0.576749 0.700267 O\n0.561929 0.695812 0.389285 O\n0.929382 0.684469 0.404429 O\n0.568122 0.685505 0.898742 O\n0.934712 0.686222 0.911915 O\n0.241257 0.859416 0.257277 O\n0.248339 0.864326 0.759394 O\n0.252107 0.881487 0.478646 O\n0.252836 0.883646 0.980094 O\n0.747796 0.896420 0.165543 O\n0.782138 0.904226 0.675255 O\n",
"nsites": 52,
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"elements": [
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],
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"density": 2.848496053949057,
"density_atomic": 0.09003037840626962,
"volume": 577.5828217154175,
"volume_molar": 6.68900971716967,
"formula_full": "Na4 Li8 Fe4 P4 C4 O28",
"formula_reduced": "NaLi2FePCO7",
"formula_anonymous": "ABCDE2F7",
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