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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=11488",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=11486",
"results": [
{
"id": "mp-1174829",
"created_at": "2022-09-04T14:46:37.877964Z",
"structure_string": "Li6 Mn3 Co1 O10\n1.0\n-2.993014 0.000000 0.000000\n1.187826 4.945362 0.000000\n-0.415312 -2.336340 -12.318696\nLi Mn Co O\n6 3 1 10\ndirect\n0.305104 0.598937 0.103744 Li\n0.897793 0.790952 0.301929 Li\n0.471915 0.985170 0.490510 Li\n0.113702 0.212755 0.701346 Li\n0.699157 0.401244 0.901001 Li\n0.215808 0.415009 0.398352 Li\n0.004728 0.004003 0.004079 Mn\n0.794349 0.595871 0.591971 Mn\n0.389704 0.794060 0.800099 Mn\n0.611905 0.207409 0.209845 Co\n0.672222 0.285449 0.060540 O\n0.266444 0.471643 0.245527 O\n0.858550 0.705671 0.460909 O\n0.403640 0.861313 0.648775 O\n0.072559 0.086704 0.854178 O\n0.935867 0.919912 0.147920 O\n0.547360 0.101542 0.334037 O\n0.196435 0.342977 0.554970 O\n0.720166 0.510344 0.743858 O\n0.322591 0.709035 0.946411 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 3.874021925860921,
"density_atomic": 0.10968782428439072,
"volume": 182.33564327199556,
"volume_molar": 5.490254546745521,
"formula_full": "Li6 Mn3 Co1 O10",
"formula_reduced": "Li6Mn3CoO10",
"formula_anonymous": "AB3C6D10",
"energy": -135.42178712,
"energy_per_atom": -6.771089356,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -121.90978712,
"band_gap": 0.3436999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9984647,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:42.904000Z",
"spacegroup": 1
},
{
"id": "mp-698650",
"created_at": "2022-09-04T14:46:37.965919Z",
"structure_string": "Sr13 Mn8 O30\n1.0\n8.582182 0.000000 0.000000\n1.009488 9.310494 0.000000\n0.692989 0.075790 10.264407\nSr Mn O\n13 8 30\ndirect\n0.099144 0.188404 0.489817 Sr\n0.994744 0.283085 0.005445 Sr\n0.118162 0.968023 0.198497 Sr\n0.113776 0.549273 0.731756 Sr\n0.197195 0.640541 0.373865 Sr\n0.371045 0.905774 0.555204 Sr\n0.488700 0.553721 0.005105 Sr\n0.668963 0.116314 0.193460 Sr\n0.782610 0.368539 0.673660 Sr\n0.879214 0.450975 0.342326 Sr\n0.806502 0.018039 0.844536 Sr\n0.866022 0.730601 0.055736 Sr\n0.858014 0.881726 0.508198 Sr\n0.245384 0.320168 0.220642 Mn\n0.222509 0.176573 0.780084 Mn\n0.468030 0.252938 0.461705 Mn\n0.395917 0.220208 0.979753 Mn\n0.472879 0.898343 0.051074 Mn\n0.516377 0.594745 0.545968 Mn\n0.663880 0.719385 0.308605 Mn\n0.708560 0.715483 0.770166 Mn\n0.884723 0.755931 0.292445 O\n0.912312 0.768564 0.784548 O\n0.131490 0.488024 0.178472 O\n0.295892 0.367187 0.384548 O\n0.124753 0.912907 0.443883 O\n0.245184 0.089439 0.951557 O\n0.445379 0.334625 0.120847 O\n0.358762 0.109121 0.240034 O\n0.324538 0.778808 0.095736 O\n0.333791 0.171950 0.619299 O\n0.271347 0.358964 0.880006 O\n0.312743 0.648828 0.602267 O\n0.746365 0.385838 0.919641 O\n0.717233 0.646874 0.475860 O\n0.669982 0.119248 0.443957 O\n0.394097 0.086397 0.375642 O\n0.614616 0.867462 0.187711 O\n0.581375 0.576283 0.721006 O\n0.584799 0.404346 0.502036 O\n0.692245 0.574314 0.190745 O\n0.461888 0.705768 0.388780 O\n0.561662 0.074166 0.985932 O\n0.636558 0.873481 0.678676 O\n0.621864 0.771977 0.934424 O\n0.900988 0.032596 0.056747 O\n0.816077 0.169413 0.484833 O\n0.005012 0.457070 0.546218 O\n0.845057 0.505773 0.878741 O\n0.055990 0.234572 0.243228 O\n0.009649 0.177217 0.748578 O\n",
"nsites": 51,
"nelements": 3,
"elements": [
"Sr",
"Mn",
"O"
],
"chemical_system": "Mn-O-Sr",
"density": 4.1677862788364894,
"density_atomic": 0.06218216904809493,
"volume": 820.170810711893,
"volume_molar": 9.684674645784972,
"formula_full": "Sr13 Mn8 O30",
"formula_reduced": "Sr13Mn8O30",
"formula_anonymous": "A8B13C30",
"energy": -346.71137668999995,
"energy_per_atom": -6.798262288039215,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -328.53737669,
"band_gap": 0.7031999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 27.9997145,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:47.121000Z",
"spacegroup": 1
},
{
"id": "mp-1233616",
"created_at": "2022-09-04T14:46:37.998876Z",
"structure_string": "Ba6 Mg1 Co2 Sb4 O18\n1.0\n5.945845 0.040847 0.287277\n-2.941500 5.135822 -0.310331\n0.596147 -0.408048 16.022083\nBa Mg Co Sb O\n6 1 2 4 18\ndirect\n0.357472 0.624846 0.590444 Ba\n0.645301 0.374466 0.069128 Ba\n0.739961 0.259634 0.459538 Ba\n0.335763 0.664193 0.905391 Ba\n0.020254 0.974765 0.754924 Ba\n0.980055 0.092241 0.211703 Ba\n0.560464 0.560444 0.333509 Mg\n0.986714 0.008103 0.988436 Co\n0.958775 0.885146 0.523184 Co\n0.326641 0.733124 0.131876 Sb\n0.690085 0.296716 0.671050 Sb\n0.680908 0.320092 0.850821 Sb\n0.259492 0.861228 0.342409 Sb\n0.104440 0.842907 0.079092 O\n0.118490 0.380963 0.078320 O\n0.624425 0.856715 0.053345 O\n0.388855 0.131318 0.602086 O\n0.847777 0.661978 0.911019 O\n0.882970 0.146597 0.598613 O\n0.854661 0.624475 0.615429 O\n0.148036 0.733218 0.460083 O\n0.670648 0.747815 0.448687 O\n0.360165 0.169481 0.922700 O\n0.858458 0.172176 0.905500 O\n0.267424 0.204126 0.366720 O\n0.443520 0.050584 0.205196 O\n0.525380 0.445009 0.766731 O\n0.976471 0.451999 0.756954 O\n0.539614 0.007835 0.758133 O\n0.442000 0.577139 0.213125 O\n0.925620 0.640675 0.287463 O\n",
"nsites": 31,
"nelements": 5,
"elements": [
"Ba",
"Mg",
"Co",
"Sb",
"O"
],
"chemical_system": "Ba-Co-Mg-O-Sb",
"density": 5.901836486981852,
"density_atomic": 0.0632791215931835,
"volume": 489.8930203123957,
"volume_molar": 9.516789437621892,
"formula_full": "Ba6 Mg1 Co2 Sb4 O18",
"formula_reduced": "Ba6MgCo2(Sb2O9)2",
"formula_anonymous": "AB2C4D6E18",
"energy": -205.93948441,
"energy_per_atom": -6.643209174516129,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -190.29748441,
"band_gap": 1.2784,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9999999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:41.950000Z",
"spacegroup": 1
},
{
"id": "mp-758315",
"created_at": "2022-09-04T14:46:38.200470Z",
"structure_string": "Li12 Mn21 O36\n1.0\n5.245740 0.000000 0.000000\n0.943088 9.976363 0.000000\n2.419017 2.340354 13.389639\nLi Mn O\n12 21 36\ndirect\n0.476280 0.751040 0.305386 Li\n0.057604 0.506466 0.891452 Li\n0.390591 0.501479 0.218110 Li\n0.272940 0.511648 0.445495 Li\n0.221576 0.990559 0.050262 Li\n0.786142 0.992072 0.946929 Li\n0.114388 0.993851 0.285144 Li\n0.811477 0.751679 0.639149 Li\n0.720959 0.501199 0.555035 Li\n0.583571 0.511230 0.783534 Li\n0.448065 0.994440 0.611343 Li\n0.138448 0.741967 0.974026 Li\n0.861434 0.250951 0.025174 Mn\n0.665760 0.991598 0.170421 Mn\n0.378721 0.751596 0.524475 Mn\n0.594547 0.749875 0.083106 Mn\n0.157825 0.508522 0.669816 Mn\n0.205329 0.247904 0.361942 Mn\n0.077441 0.249495 0.584436 Mn\n0.962226 0.245434 0.807944 Mn\n0.994642 0.991342 0.498305 Mn\n0.291347 0.250882 0.137636 Mn\n0.699899 0.755259 0.861529 Mn\n0.045861 0.746088 0.191366 Mn\n0.912510 0.751000 0.416375 Mn\n0.491133 0.506264 0.003378 Mn\n0.826278 0.507061 0.331084 Mn\n0.527830 0.251648 0.692023 Mn\n0.412189 0.249519 0.913892 Mn\n0.749382 0.248805 0.249984 Mn\n0.324238 0.993018 0.833219 Mn\n0.634562 0.248245 0.473006 Mn\n0.242420 0.752894 0.752852 Mn\n0.873250 0.869889 0.074238 O\n0.728915 0.637790 0.206458 O\n0.506924 0.366200 0.355354 O\n0.576964 0.370979 0.122775 O\n0.403299 0.376474 0.581162 O\n0.155819 0.875122 0.605628 O\n0.431742 0.128627 0.245902 O\n0.043616 0.866861 0.844311 O\n0.356447 0.861286 0.169670 O\n0.315194 0.149198 0.487228 O\n0.235563 0.139623 0.700758 O\n0.569358 0.133336 0.032808 O\n0.186227 0.869344 0.408330 O\n0.938255 0.644417 0.769042 O\n0.301491 0.638339 0.099125 O\n0.067974 0.630381 0.540956 O\n0.792600 0.645180 0.984278 O\n0.127612 0.632228 0.330436 O\n0.842912 0.360048 0.677644 O\n0.182589 0.353104 0.011456 O\n0.928035 0.365770 0.465776 O\n0.738415 0.375419 0.913014 O\n0.069607 0.365581 0.253142 O\n0.484923 0.869511 0.953869 O\n0.764293 0.119163 0.579751 O\n0.826490 0.865428 0.281435 O\n0.691217 0.853939 0.510119 O\n0.612464 0.136991 0.816949 O\n0.991091 0.137217 0.142126 O\n0.919571 0.127561 0.376915 O\n0.533973 0.863950 0.750410 O\n0.612870 0.636909 0.433787 O\n0.381588 0.617422 0.885634 O\n0.454323 0.635541 0.667350 O\n0.280534 0.374665 0.796785 O\n0.103590 0.109114 0.922814 O\n",
"nsites": 69,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.296271176037726,
"density_atomic": 0.09846938335395841,
"volume": 700.7254199203456,
"volume_molar": 6.115749438942651,
"formula_full": "Li12 Mn21 O36",
"formula_reduced": "Li4Mn7O12",
"formula_anonymous": "A4B7C12",
"energy": -536.67949754,
"energy_per_atom": -7.777963732463769,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -476.91949754,
"band_gap": 0.1819999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 87.1395906,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:41.942000Z",
"spacegroup": 1
},
{
"id": "mp-760240",
"created_at": "2022-09-04T14:46:38.087133Z",
"structure_string": "Mn12 O5 F19\n1.0\n5.272474 0.000000 0.000000\n0.807721 5.370270 0.000000\n0.913940 1.564847 15.494073\nMn O F\n12 5 19\ndirect\n0.070015 0.012888 0.006097 Mn\n0.534090 0.002378 0.850593 Mn\n0.037126 0.030916 0.672595 Mn\n0.475275 0.016815 0.516773 Mn\n0.010594 0.935781 0.331637 Mn\n0.559599 0.050494 0.176786 Mn\n0.964466 0.511825 0.834743 Mn\n0.442935 0.471235 0.986473 Mn\n0.498487 0.430355 0.333390 Mn\n0.006710 0.519690 0.496226 Mn\n0.458287 0.444487 0.656407 Mn\n0.953692 0.477012 0.172313 Mn\n0.772549 0.209342 0.273008 O\n0.328847 0.202989 0.926624 O\n0.231259 0.256902 0.580121 O\n0.213104 0.640312 0.384361 O\n0.631872 0.666826 0.905699 O\n0.294277 0.177334 0.757313 F\n0.822916 0.178131 0.908568 F\n0.260185 0.135635 0.405340 F\n0.722703 0.130342 0.595468 F\n0.248116 0.268362 0.085361 F\n0.781619 0.358471 0.738980 F\n0.689497 0.382708 0.436786 F\n0.739600 0.318354 0.083471 F\n0.303444 0.394813 0.235564 F\n0.357980 0.739448 0.064587 F\n0.240798 0.685783 0.739082 F\n0.698318 0.654152 0.578425 F\n0.725121 0.709827 0.263328 F\n0.200380 0.776384 0.567215 F\n0.128682 0.711301 0.921344 F\n0.218098 0.917948 0.227084 F\n0.767930 0.881540 0.429711 F\n0.839484 0.827045 0.099343 F\n0.771944 0.872174 0.759178 F\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.164412395658053,
"density_atomic": 0.0820590216886742,
"volume": 438.7086180064553,
"volume_molar": 7.338791806277624,
"formula_full": "Mn12 O5 F19",
"formula_reduced": "Mn12O5F19",
"formula_anonymous": "A5B12C19",
"energy": -265.59898171,
"energy_per_atom": -7.377749491944444,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -233.36998171,
"band_gap": 0.1069999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 55.0044419,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:42.478000Z",
"spacegroup": 1
},
{
"id": "mp-758400",
"created_at": "2022-09-04T14:46:38.477573Z",
"structure_string": "Mn10 Fe8 O24\n1.0\n6.111317 0.000000 0.000000\n-0.034661 6.126539 0.000000\n-2.984773 -2.959585 13.019998\nMn Fe O\n10 8 24\ndirect\n0.000338 0.498950 0.998610 Mn\n0.794003 0.040908 0.085006 Mn\n0.166941 0.169313 0.333947 Mn\n0.335565 0.831642 0.167582 Mn\n0.448172 0.709526 0.415242 Mn\n0.536828 0.291193 0.584037 Mn\n0.885907 0.627306 0.250350 Mn\n0.126145 0.378145 0.750488 Mn\n0.330691 0.831821 0.665863 Mn\n0.206994 0.954350 0.914753 Mn\n0.503536 0.495513 0.999573 Fe\n0.335674 0.333762 0.167929 Fe\n0.997642 0.500682 0.499076 Fe\n0.666578 0.167325 0.333651 Fe\n0.999062 0.002367 0.499772 Fe\n0.665536 0.166211 0.832904 Fe\n0.830130 0.836735 0.668282 Fe\n0.667885 0.662221 0.832475 Fe\n0.105412 0.103099 0.183908 O\n0.244822 0.281659 0.009048 O\n0.546768 0.076090 0.167524 O\n0.254275 0.725476 0.009290 O\n0.125626 0.591225 0.165237 O\n0.087064 0.048745 0.658070 O\n0.563246 0.564870 0.158502 O\n0.397958 0.388211 0.325672 O\n0.220837 0.245376 0.486719 O\n0.084156 0.609783 0.656100 O\n0.230671 0.758455 0.514254 O\n0.572087 0.043451 0.665213 O\n0.783505 0.250450 0.500943 O\n0.940180 0.400238 0.343814 O\n0.394761 0.941182 0.326723 O\n0.780742 0.753529 0.506033 O\n0.573822 0.616297 0.672147 O\n0.440626 0.438540 0.847266 O\n0.940605 0.946831 0.344267 O\n0.888174 0.423527 0.833402 O\n0.754716 0.281744 0.999089 O\n0.425838 0.901471 0.816329 O\n0.757012 0.717105 0.991633 O\n0.889466 0.894676 0.819280 O\n",
"nsites": 42,
"nelements": 3,
"elements": [
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Mn-O",
"density": 4.701180425501415,
"density_atomic": 0.08615656166717656,
"volume": 487.48463480061235,
"volume_molar": 6.989764497872576,
"formula_full": "Mn10 Fe8 O24",
"formula_reduced": "Mn5(FeO3)4",
"formula_anonymous": "A4B5C12",
"energy": -355.22261622,
"energy_per_atom": -8.45768133857143,
"energy_above_hull": null,
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"energy_uncorrected": -304.00661622,
"band_gap": 0.3225000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 82.0000003,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:39.975000Z",
"spacegroup": 1
},
{
"id": "mp-1177562",
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{
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{
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{
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}