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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=11474",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=11472",
"results": [
{
"id": "mp-774189",
"created_at": "2022-09-04T14:47:00.861958Z",
"structure_string": "Li8 Mn7 Fe1 B8 O24\n1.0\n-5.256926 0.000000 0.000000\n-0.019200 -9.116813 0.000000\n2.470723 4.232526 10.515578\nLi Mn Fe B O\n8 7 1 8 24\ndirect\n0.030149 0.040088 0.418300 Li\n0.296293 0.284929 0.917877 Li\n0.481233 0.507153 0.667477 Li\n0.272261 0.244826 0.168001 Li\n0.529314 0.539749 0.417603 Li\n0.796708 0.784434 0.917821 Li\n0.980484 0.008464 0.667841 Li\n0.772262 0.744215 0.167840 Li\n0.023071 0.356088 0.383111 Mn\n0.273360 0.939883 0.883310 Mn\n0.477307 0.156867 0.635323 Mn\n0.241601 0.564496 0.131643 Mn\n0.522947 0.856274 0.383408 Mn\n0.744591 0.065616 0.133327 Mn\n0.975635 0.654888 0.632811 Mn\n0.766569 0.441415 0.883087 Fe\n0.024445 0.685659 0.375750 B\n0.263828 0.602178 0.875594 B\n0.236299 0.892142 0.125572 B\n0.470403 0.814551 0.626138 B\n0.524321 0.185524 0.375724 B\n0.768366 0.106373 0.876397 B\n0.735211 0.392140 0.124551 B\n0.971205 0.314844 0.626651 B\n0.021905 0.109857 0.861284 O\n0.100962 0.711361 0.845725 O\n0.168020 0.490928 0.915316 O\n0.072001 0.170124 0.611729 O\n0.101768 0.424941 0.596032 O\n0.238074 0.849855 0.666832 O\n0.268447 0.654025 0.345247 O\n0.521280 0.605853 0.863112 O\n0.602522 0.214979 0.847237 O\n0.402755 0.085192 0.417739 O\n0.404807 0.315137 0.361181 O\n0.676331 0.994303 0.917021 O\n0.336494 0.012999 0.095725 O\n0.571409 0.670060 0.612189 O\n0.600704 0.925127 0.596143 O\n0.405158 0.793340 0.166160 O\n0.468310 0.370562 0.110977 O\n0.739793 0.350547 0.667846 O\n0.768648 0.154091 0.345204 O\n0.902664 0.585225 0.417866 O\n0.904522 0.814947 0.360977 O\n0.834609 0.512055 0.093598 O\n0.905278 0.294336 0.166249 O\n0.968876 0.870554 0.111052 O\n",
"nsites": 48,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-Mn-O",
"density": 3.1842251118050333,
"density_atomic": 0.09524302439493823,
"volume": 503.97391625198117,
"volume_molar": 6.322920547995588,
"formula_full": "Li8 Mn7 Fe1 B8 O24",
"formula_reduced": "Li8Mn7Fe(BO3)8",
"formula_anonymous": "AB7C8D8E24",
"energy": -379.67832825,
"energy_per_atom": -7.909965171875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -349.25832825,
"band_gap": 2.6575,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 38.9642059,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:52.301000Z",
"spacegroup": 1
},
{
"id": "mp-776746",
"created_at": "2022-09-04T14:47:02.561816Z",
"structure_string": "Li8 Fe7 Sb1 P12 O48\n1.0\n8.668370 0.000000 0.000000\n-0.013941 8.795642 0.000000\n-0.001923 -0.047614 12.233521\nLi Fe Sb P O\n8 7 1 12 48\ndirect\n0.217110 0.722943 0.182406 Li\n0.218882 0.777392 0.817819 Li\n0.282507 0.222450 0.317786 Li\n0.280501 0.276672 0.682680 Li\n0.715979 0.724043 0.315812 Li\n0.717191 0.788862 0.682606 Li\n0.783897 0.222142 0.181967 Li\n0.786375 0.274279 0.825655 Li\n0.247481 0.959977 0.612560 Fe\n0.248849 0.540262 0.386631 Fe\n0.251048 0.040819 0.112642 Fe\n0.251478 0.458463 0.887541 Fe\n0.748685 0.540651 0.111456 Fe\n0.748014 0.960381 0.889360 Fe\n0.750919 0.037956 0.385965 Fe\n0.752194 0.461642 0.613016 Sb\n0.041865 0.247613 0.498449 P\n0.461139 0.749638 0.000058 P\n0.539004 0.250226 0.000946 P\n0.961624 0.750514 0.497899 P\n0.105203 0.392549 0.146566 P\n0.106119 0.106207 0.853214 P\n0.392063 0.604195 0.646208 P\n0.393746 0.892937 0.353726 P\n0.602985 0.106153 0.645112 P\n0.604089 0.392207 0.349932 P\n0.896164 0.609350 0.852079 P\n0.895153 0.892094 0.146522 P\n0.053730 0.637055 0.430795 O\n0.054601 0.855111 0.571972 O\n0.073704 0.895369 0.155593 O\n0.072829 0.604355 0.840633 O\n0.145492 0.163061 0.580520 O\n0.146570 0.337962 0.420617 O\n0.154520 0.434428 0.030306 O\n0.156072 0.065826 0.969253 O\n0.161827 0.232481 0.179272 O\n0.161765 0.267299 0.820748 O\n0.173160 0.514306 0.225439 O\n0.174388 0.985351 0.773856 O\n0.326013 0.013530 0.274562 O\n0.328987 0.483505 0.725150 O\n0.344602 0.766397 0.680155 O\n0.336361 0.732218 0.320678 O\n0.348698 0.565418 0.529155 O\n0.344059 0.934482 0.470060 O\n0.352404 0.837102 0.079483 O\n0.352234 0.661849 0.920894 O\n0.426634 0.109685 0.656365 O\n0.426954 0.394040 0.344116 O\n0.443344 0.142548 0.071224 O\n0.444080 0.357659 0.929608 O\n0.556763 0.642823 0.071097 O\n0.556533 0.856960 0.928921 O\n0.577796 0.603988 0.656742 O\n0.572473 0.895562 0.344054 O\n0.647085 0.338054 0.080520 O\n0.647442 0.162660 0.921374 O\n0.655577 0.072512 0.529430 O\n0.652599 0.434482 0.470712 O\n0.664322 0.232921 0.320520 O\n0.664136 0.272159 0.681547 O\n0.675583 0.514729 0.275838 O\n0.675184 0.992867 0.725802 O\n0.826565 0.013020 0.225728 O\n0.825264 0.482170 0.770622 O\n0.838391 0.731325 0.178349 O\n0.834937 0.766257 0.817933 O\n0.841289 0.560335 0.964624 O\n0.845252 0.932550 0.030350 O\n0.850003 0.662695 0.582464 O\n0.849073 0.835023 0.421856 O\n0.927172 0.103352 0.844859 O\n0.926327 0.395609 0.154979 O\n0.939873 0.143394 0.430921 O\n0.947070 0.360896 0.573693 O\n",
"nsites": 76,
"nelements": 5,
"elements": [
"Li",
"Fe",
"Sb",
"P",
"O"
],
"chemical_system": "Fe-Li-O-P-Sb",
"density": 3.0404981323289166,
"density_atomic": 0.08148114732681647,
"volume": 932.7310978473108,
"volume_molar": 7.390839424297156,
"formula_full": "Li8 Fe7 Sb1 P12 O48",
"formula_reduced": "Li8Fe7Sb(PO4)12",
"formula_anonymous": "AB7C8D12E48",
"energy": -566.65147562,
"energy_per_atom": -7.4559404686842115,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -517.88347562,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 37.3367864,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:55.206000Z",
"spacegroup": 1
},
{
"id": "mp-1245215",
"created_at": "2022-09-04T14:47:00.985737Z",
"structure_string": "Al36 O18\n1.0\n5.605583 0.064038 -0.018773\n2.858849 4.931244 0.027185\n-0.141646 0.358814 50.173018\nAl O\n36 18\nSelective dynamics\ndirect\n0.492068 0.507948 0.001058 T T T Al\n0.992314 0.507576 0.001381 T T T Al\n0.492367 0.007719 0.001258 T T T Al\n0.162726 0.170450 0.048738 T T T Al\n0.163628 0.671100 0.048585 T T T Al\n0.663246 0.670335 0.048749 T T T Al\n0.664311 0.171439 0.048600 T T T Al\n0.333325 0.333350 0.095239 F F F Al\n0.333325 0.833350 0.095239 F F F Al\n0.833325 0.833350 0.095239 F F F Al\n0.833325 0.333350 0.095239 F F F Al\n0.999992 0.500017 0.142858 F F F Al\n0.499992 0.500017 0.142858 F F F Al\n0.499992 0.000017 0.142858 F F F Al\n0.999992 0.000017 0.142858 F F F Al\n0.177437 0.165990 0.188460 T T T Al\n0.673616 0.160473 0.189026 T T T Al\n0.677631 0.667830 0.188673 T T T Al\n0.173567 0.662641 0.189506 T T T Al\n0.853626 0.331445 0.232936 T T T Al\n0.356565 0.835838 0.233365 T T T Al\n0.359403 0.336526 0.239022 T T T Al\n0.859166 0.844007 0.241187 T T T Al\n0.953089 0.428234 0.281365 T T T Al\n0.508618 0.952835 0.293816 T T T Al\n0.430689 0.442046 0.309035 T T T Al\n0.977319 0.984540 0.324831 T T T Al\n0.254887 0.704178 0.368855 T T T Al\n0.789378 0.285973 0.381935 T T T Al\n0.647919 0.831395 0.385101 T T T Al\n0.220200 0.380731 0.416415 T T T Al\n0.193740 0.936450 0.430013 T T T Al\n0.090522 0.668003 0.475912 T T T Al\n0.500731 0.078667 0.477468 T T T Al\n0.816147 0.348055 0.486497 T T T Al\n0.992173 0.007870 0.001026 T T T Al\n0.338487 0.327779 0.279463 T T T O\n0.853443 0.799716 0.278310 T T T O\n0.624605 0.590738 0.300888 T T T O\n0.132141 0.100920 0.302280 T T T O\n0.621147 0.100042 0.321805 T T T O\n0.183470 0.631813 0.333372 T T T O\n0.027298 0.055908 0.358953 T T T O\n0.622412 0.592809 0.361572 T T T O\n0.017422 0.649618 0.389158 T T T O\n0.527532 0.193601 0.390178 T T T O\n0.403910 0.772637 0.401833 T T T O\n0.965328 0.259398 0.412370 T T T O\n0.167182 0.646107 0.439818 T T T O\n0.375541 0.098604 0.442780 T T T O\n0.864007 0.039347 0.471579 T T T O\n0.759849 0.686803 0.482275 T T T O\n0.443423 0.445300 0.487683 T T T O\n0.177641 0.187322 0.494087 T T T O\n",
"nsites": 54,
"nelements": 2,
"elements": [
"Al",
"O"
],
"chemical_system": "Al-O",
"density": 1.5179332489748465,
"density_atomic": 0.039197615887604634,
"volume": 1377.6348070464226,
"volume_molar": 15.363538377609252,
"formula_full": "Al36 O18",
"formula_reduced": "Al2O",
"formula_anonymous": "AB2",
"energy": -316.79082159,
"energy_per_atom": -5.866496696111112,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -304.42482159,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004319,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:44.660000Z",
"spacegroup": 1
},
{
"id": "mp-801731",
"created_at": "2022-09-04T14:47:01.630784Z",
"structure_string": "Li4 V5 O9 F1\n1.0\n3.010874 0.000000 0.000000\n-1.497084 5.004524 0.000000\n-0.000093 -2.593908 12.868950\nLi V O F\n4 5 9 1\ndirect\n0.203796 0.603661 0.398549 Li\n0.401038 0.190668 0.799810 Li\n0.805521 0.403647 0.597041 Li\n0.597659 0.816506 0.194133 Li\n0.105562 0.798225 0.698643 V\n0.312505 0.415773 0.105013 V\n0.676878 0.558320 0.898210 V\n0.507283 0.000452 0.500740 V\n0.906986 0.199188 0.303996 V\n0.146462 0.176394 0.552719 O\n0.056757 0.414971 0.844124 O\n0.466531 0.620805 0.648612 O\n0.267163 0.028488 0.251289 O\n0.548698 0.375380 0.355593 O\n0.742461 0.959230 0.755342 O\n0.688563 0.277281 0.049395 O\n0.947032 0.575224 0.160109 O\n0.868633 0.820364 0.451340 O\n0.330366 0.781224 0.940824 F\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.8147293368604474,
"density_atomic": 0.09798399211272237,
"volume": 193.90922527571743,
"volume_molar": 6.146045522489055,
"formula_full": "Li4 V5 O9 F1",
"formula_reduced": "Li4V5O9F",
"formula_anonymous": "AB4C5D9",
"energy": -118.57729046999998,
"energy_per_atom": -6.240910024736841,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -103.43229047,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:49.050000Z",
"spacegroup": 1
},
{
"id": "mp-1247604",
"created_at": "2022-09-04T14:47:01.143891Z",
"structure_string": "Sr1 Ca7 Mn6 Cr2 O20\n1.0\n7.866110 -0.047582 0.097567\n-0.047666 7.858355 0.103647\n0.098909 0.104243 7.648177\nSr Ca Mn Cr O\n1 7 6 2 20\ndirect\n0.247027 0.257239 0.257015 Sr\n0.271659 0.281026 0.700386 Ca\n0.251764 0.731951 0.268607 Ca\n0.257105 0.719702 0.709953 Ca\n0.734233 0.254744 0.262308 Ca\n0.720168 0.262054 0.714727 Ca\n0.741157 0.745675 0.270295 Ca\n0.727862 0.733920 0.724636 Ca\n0.001068 0.000858 0.522150 Mn\n0.996734 0.489201 0.001141 Mn\n0.997586 0.507327 0.492923 Mn\n0.507510 0.000399 0.492707 Mn\n0.502886 0.505686 0.996778 Mn\n0.504727 0.504568 0.488790 Mn\n0.028329 0.018035 0.980362 Cr\n0.473995 0.996215 0.004385 Cr\n0.939637 0.927398 0.792554 O\n0.013410 0.532156 0.242660 O\n0.004613 0.521222 0.748648 O\n0.544806 0.013169 0.241588 O\n0.525469 0.999855 0.751787 O\n0.503295 0.507781 0.742679 O\n0.233319 0.956266 0.061624 O\n0.250440 0.003096 0.514777 O\n0.253619 0.510698 0.006986 O\n0.261545 0.502948 0.483855 O\n0.762819 0.006952 0.477151 O\n0.748409 0.515240 0.028740 O\n0.743643 0.501952 0.475341 O\n0.958571 0.217606 0.057810 O\n0.005538 0.249442 0.518785 O\n0.006913 0.763682 0.468702 O\n0.504823 0.255079 0.009063 O\n0.500915 0.262521 0.485348 O\n0.523714 0.750191 0.032559 O\n0.500691 0.744148 0.472181 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Mn",
"Cr",
"O"
],
"chemical_system": "Ca-Cr-Mn-O-Sr",
"density": 3.9415737330211287,
"density_atomic": 0.07617588465865983,
"volume": 472.59050762999505,
"volume_molar": 7.905573774410235,
"formula_full": "Sr1 Ca7 Mn6 Cr2 O20",
"formula_reduced": "SrCa7Mn6Cr2O20",
"formula_anonymous": "AB2C6D7E20",
"energy": -278.57744814,
"energy_per_atom": -7.738262448333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -250.83144814,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 29.9990699,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.341000Z",
"spacegroup": 1
},
{
"id": "mp-1100888",
"created_at": "2022-09-04T14:47:01.159628Z",
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{
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{
"id": "mp-1177121",
"created_at": "2022-09-04T14:47:01.393447Z",
"structure_string": "Li7 Fe4 P6 O24\n1.0\n8.485859 0.000000 0.000000\n4.234781 7.361294 0.000000\n4.176985 2.458794 7.589697\nLi Fe P O\n7 4 6 24\ndirect\n0.079783 0.845836 0.357980 Li\n0.260795 0.277404 0.866096 Li\n0.794628 0.646367 0.556610 Li\n0.597824 0.791578 0.856577 Li\n0.337604 0.238141 0.350075 Li\n0.767028 0.643941 0.161527 Li\n0.902609 0.164153 0.647873 Li\n0.147291 0.645333 0.063726 Fe\n0.637444 0.157856 0.547805 Fe\n0.355641 0.849972 0.454981 Fe\n0.847283 0.355238 0.940376 Fe\n0.231665 0.047293 0.751390 P\n0.046752 0.246700 0.254527 P\n0.457836 0.554867 0.244051 P\n0.531444 0.468421 0.755501 P\n0.958939 0.748090 0.751617 P\n0.748424 0.960010 0.254417 P\n0.103352 0.246715 0.778581 O\n0.256882 0.661675 0.218037 O\n0.014040 0.300767 0.078487 O\n0.435026 0.015082 0.733440 O\n0.142379 0.743377 0.592477 O\n0.474637 0.351870 0.369294 O\n0.189793 0.036806 0.289852 O\n0.135645 0.380520 0.234459 O\n0.792487 0.124995 0.091933 O\n0.619603 0.552476 0.062221 O\n0.795422 0.939655 0.412127 O\n0.493282 0.673081 0.307581 O\n0.488285 0.340568 0.714304 O\n0.213417 0.059987 0.580388 O\n0.395978 0.497452 0.934488 O\n0.162310 0.892662 0.905920 O\n0.869227 0.624128 0.752085 O\n0.806615 0.951780 0.736358 O\n0.522710 0.666875 0.609240 O\n0.860021 0.269157 0.408568 O\n0.535567 0.994422 0.303233 O\n0.997810 0.662196 0.930009 O\n0.743483 0.378240 0.757875 O\n0.871266 0.760331 0.223102 O\n",
"nsites": 41,
"nelements": 4,
"elements": [
"Li",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-O-P",
"density": 2.948364106453903,
"density_atomic": 0.08647875808252442,
"volume": 474.10486585474285,
"volume_molar": 6.963722529702877,
"formula_full": "Li7 Fe4 P6 O24",
"formula_reduced": "Li7Fe4(PO4)6",
"formula_anonymous": "A4B6C7D24",
"energy": -301.35469901,
"energy_per_atom": -7.350114609999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -275.84269901,
"band_gap": 1.6567,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 19.0297861,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:52.880000Z",
"spacegroup": 1
}
]
}