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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=11517",
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"results": [
{
"id": "mp-1176212",
"created_at": "2022-09-04T14:46:11.391160Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.983315 0.000000 0.000000\n-1.302109 4.937849 0.000000\n-1.105718 -0.858684 19.637132\nLi Mn Co O\n9 2 5 16\ndirect\n0.329058 0.573521 0.063959 Li\n0.936632 0.686994 0.187183 Li\n0.562176 0.812093 0.313958 Li\n0.189786 0.936049 0.438843 Li\n0.812875 0.065672 0.563332 Li\n0.442823 0.183444 0.688691 Li\n0.059661 0.301978 0.812814 Li\n0.656435 0.427385 0.930361 Li\n0.393761 0.891739 0.873559 Li\n0.001035 0.001837 0.994987 Mn\n0.249651 0.252680 0.250714 Mn\n0.613116 0.115808 0.125147 Co\n0.877814 0.377297 0.377816 Co\n0.502466 0.501600 0.501493 Co\n0.130379 0.622061 0.626509 Co\n0.757402 0.753416 0.754268 Co\n0.624644 0.244903 0.030641 O\n0.254787 0.384924 0.157100 O\n0.940036 0.520245 0.285118 O\n0.517808 0.637023 0.410944 O\n0.183036 0.761063 0.534463 O\n0.768789 0.882178 0.661479 O\n0.422855 0.005127 0.777387 O\n0.037162 0.158791 0.912469 O\n0.975767 0.861748 0.090514 O\n0.555020 0.979975 0.215662 O\n0.231589 0.112521 0.342321 O\n0.816553 0.238981 0.467882 O\n0.484811 0.360830 0.590525 O\n0.069376 0.488249 0.715529 O\n0.716851 0.600123 0.832300 O\n0.385843 0.759744 0.972037 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.150240828953959,
"density_atomic": 0.11062034334770035,
"volume": 289.27771358852175,
"volume_molar": 5.443972218628258,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.20517589,
"energy_per_atom": -6.5064117465625,
"energy_above_hull": null,
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"energy_uncorrected": -185.68717589,
"band_gap": 0.3269000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0012634,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:23.492000Z",
"spacegroup": 1
},
{
"id": "mp-625671",
"created_at": "2022-09-04T14:46:27.926751Z",
"structure_string": "Mn1 H2 O2\n1.0\n-3.370109 0.000000 0.000000\n1.682788 2.925452 0.000000\n-0.179454 -0.662222 -4.957896\nMn H O\n1 2 2\ndirect\n0.051576 0.005859 0.976900 Mn\n0.430230 0.581334 0.568995 H\n0.844949 0.449318 0.384032 H\n0.375270 0.620003 0.760791 O\n0.736614 0.406008 0.198888 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mn",
"H",
"O"
],
"chemical_system": "H-Mn-O",
"density": 3.0218577567216323,
"density_atomic": 0.10229058622973251,
"volume": 48.88035335696086,
"volume_molar": 5.887287366283137,
"formula_full": "Mn1 H2 O2",
"formula_reduced": "Mn(HO)2",
"formula_anonymous": "AB2C2",
"energy": -33.56072959,
"energy_per_atom": -6.712145918,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -30.51872959,
"band_gap": 1.3187,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 5.0000104,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:36.960000Z",
"spacegroup": 1
},
{
"id": "mp-1217131",
"created_at": "2022-09-04T14:46:11.416833Z",
"structure_string": "U2 B9 O22\n1.0\n6.518910 -0.023686 -0.300309\n-3.280739 5.643123 -0.848864\n-0.052577 0.005742 11.194270\nU B O\n2 9 22\ndirect\n0.873168 0.753215 0.725789 U\n0.127600 0.247551 0.274165 U\n0.393541 0.854722 0.778721 B\n0.614652 0.140178 0.228401 B\n0.197351 0.415573 0.724430 B\n0.798577 0.581496 0.267997 B\n0.473332 0.267073 0.788250 B\n0.528375 0.736216 0.207341 B\n0.748558 0.142898 0.682603 B\n0.246487 0.850853 0.316764 B\n0.492586 0.890476 0.024386 B\n0.183316 0.617271 0.726226 O\n0.815210 0.381401 0.271664 O\n0.453925 0.868207 0.903359 O\n0.545622 0.100981 0.098390 O\n0.704205 0.152838 0.554935 O\n0.302112 0.853962 0.444706 O\n0.417849 0.435165 0.741984 O\n0.579457 0.558521 0.243918 O\n0.707075 0.327558 0.746186 O\n0.293229 0.669636 0.257360 O\n0.603752 0.909933 0.714963 O\n0.396341 0.087291 0.286039 O\n0.515973 0.330615 0.920506 O\n0.479354 0.706487 0.077081 O\n0.902218 0.811380 0.887671 O\n0.085572 0.180277 0.112638 O\n0.837908 0.690975 0.563834 O\n0.172460 0.316191 0.436641 O\n0.995378 0.193962 0.708041 O\n0.002836 0.802796 0.287605 O\n0.302237 0.016187 0.753174 O\n0.702744 0.984116 0.261232 O\n",
"nsites": 33,
"nelements": 3,
"elements": [
"U",
"B",
"O"
],
"chemical_system": "B-O-U",
"density": 3.7396928974283563,
"density_atomic": 0.08031520033216015,
"volume": 410.8811266550001,
"volume_molar": 7.498133273769088,
"formula_full": "U2 B9 O22",
"formula_reduced": "U2B9O22",
"formula_anonymous": "A2B9C22",
"energy": -279.17884977,
"energy_per_atom": -8.459965144545455,
"energy_above_hull": null,
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"energy_uncorrected": -264.06484977,
"band_gap": 0.0722999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.998637,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:22.625000Z",
"spacegroup": 1
},
{
"id": "mp-676865",
"created_at": "2022-09-04T14:46:11.594971Z",
"structure_string": "Ba6 Ge6 O18\n1.0\n7.770673 0.000000 0.000000\n1.865787 8.991815 0.000000\n2.949811 3.626382 8.128887\nBa Ge O\n6 6 18\ndirect\n0.601743 0.012213 0.944621 Ba\n0.911401 0.444598 0.579796 Ba\n0.382199 0.562302 0.268118 Ba\n0.031709 0.652987 0.986398 Ba\n0.174993 0.238266 0.188455 Ba\n0.420437 0.803654 0.556650 Ba\n0.962589 0.923509 0.214607 Ge\n0.175672 0.079292 0.748844 Ge\n0.698756 0.570820 0.892773 Ge\n0.567198 0.150684 0.566535 Ge\n0.326107 0.384949 0.737846 Ge\n0.646290 0.215326 0.196617 Ge\n0.252754 0.539778 0.568603 O\n0.099802 0.478099 0.267929 O\n0.787596 0.779921 0.368204 O\n0.558860 0.399270 0.058094 O\n0.320445 0.181964 0.540795 O\n0.652872 0.714635 0.983580 O\n0.181669 0.886251 0.222355 O\n0.664870 0.279874 0.344730 O\n0.261933 0.875360 0.812057 O\n0.501400 0.070624 0.238705 O\n0.820214 0.810789 0.179833 O\n0.918163 0.479466 0.884047 O\n0.304101 0.446872 0.891921 O\n0.882164 0.130162 0.144048 O\n0.942367 0.108881 0.765650 O\n0.654910 0.634998 0.701215 O\n0.559294 0.314055 0.646907 O\n0.241095 0.178401 0.853867 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Ba",
"Ge",
"O"
],
"chemical_system": "Ba-Ge-O",
"density": 4.525060472578735,
"density_atomic": 0.052818269911597514,
"volume": 567.9852833160062,
"volume_molar": 11.401624419124897,
"formula_full": "Ba6 Ge6 O18",
"formula_reduced": "BaGeO3",
"formula_anonymous": "ABC3",
"energy": -195.65983102,
"energy_per_atom": -6.521994367333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -187.28983102,
"band_gap": 1.4290000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006789,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:22.161000Z",
"spacegroup": 1
},
{
"id": "mp-1221236",
"created_at": "2022-09-04T14:46:11.615968Z",
"structure_string": "Na4 Mg11 Al1 Si12 H4 O40\n1.0\n-0.023821 -0.011808 8.924843\n-3.719988 -8.059189 4.100535\n10.428649 -0.038756 -1.247203\nNa Mg Al Si H O\n4 11 1 12 4 40\ndirect\n0.607611 0.636335 0.425917 Na\n0.392094 0.366475 0.577800 Na\n0.635053 0.609131 0.947886 Na\n0.367505 0.390362 0.049472 Na\n0.947278 0.945880 0.846550 Mg\n0.049193 0.051643 0.151701 Mg\n0.818429 0.852803 0.535447 Mg\n0.177598 0.149618 0.467053 Mg\n0.935258 0.939841 0.346597 Mg\n0.064265 0.058148 0.652975 Mg\n0.850216 0.815720 0.051045 Mg\n0.151815 0.179627 0.945555 Mg\n0.501397 0.997166 0.996412 Mg\n0.995719 0.501579 0.503534 Mg\n0.728345 0.727414 0.739018 Mg\n0.270335 0.271310 0.260228 Al\n0.654103 0.230711 0.250909 Si\n0.339787 0.769681 0.750386 Si\n0.775621 0.337513 0.061740 Si\n0.225267 0.660768 0.938421 Si\n0.763427 0.335577 0.548917 Si\n0.238008 0.658778 0.446737 Si\n0.554512 0.951720 0.298167 Si\n0.444441 0.050837 0.699112 Si\n0.955859 0.557758 0.207744 Si\n0.046170 0.441164 0.796019 Si\n0.667832 0.232988 0.755814 Si\n0.331691 0.768585 0.243620 Si\n0.663638 0.054263 0.914552 H\n0.333358 0.956879 0.090864 H\n0.955901 0.333498 0.304638 H\n0.055976 0.664690 0.693945 H\n0.732513 0.946257 0.917755 O\n0.267668 0.068532 0.091171 O\n0.666392 0.360853 0.690294 O\n0.335641 0.639012 0.308687 O\n0.826946 0.061287 0.208452 O\n0.168704 0.940311 0.792255 O\n0.941710 0.165299 0.013295 O\n0.059560 0.833627 0.987196 O\n0.935279 0.165723 0.510422 O\n0.066086 0.828305 0.486893 O\n0.815320 0.498770 0.100550 O\n0.191221 0.496740 0.900238 O\n0.946953 0.730631 0.670599 O\n0.067133 0.269529 0.327833 O\n0.609316 0.885928 0.130254 O\n0.391268 0.115579 0.868215 O\n0.966815 0.708424 0.185587 O\n0.036714 0.287259 0.814357 O\n0.684799 0.362497 0.203541 O\n0.308033 0.634741 0.792491 O\n0.782247 0.501263 0.568211 O\n0.227268 0.482795 0.417046 O\n0.873510 0.611399 0.861428 O\n0.133482 0.383640 0.149431 O\n0.504466 0.783207 0.827571 O\n0.479334 0.224988 0.182325 O\n0.887271 0.609917 0.368303 O\n0.113675 0.390210 0.634364 O\n0.494916 0.808221 0.299233 O\n0.501566 0.198972 0.702907 O\n0.836761 0.063918 0.711560 O\n0.161829 0.937317 0.287968 O\n0.627722 0.315222 0.424600 O\n0.367446 0.680429 0.575718 O\n0.645892 0.335500 0.932501 O\n0.355924 0.663744 0.067246 O\n0.613428 0.876781 0.633253 O\n0.381474 0.131176 0.357636 O\n0.705052 0.961313 0.401568 O\n0.290965 0.042224 0.598272 O\n",
"nsites": 72,
"nelements": 6,
"elements": [
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"Mg",
"Al",
"Si",
"H",
"O"
],
"chemical_system": "Al-H-Mg-Na-O-Si",
"density": 3.0245368169812386,
"density_atomic": 0.09591115702099225,
"volume": 750.6947287085821,
"volume_molar": 6.278874061212632,
"formula_full": "Na4 Mg11 Al1 Si12 H4 O40",
"formula_reduced": "Na4Mg11AlSi12(HO10)4",
"formula_anonymous": "AB4C4D11E12F40",
"energy": -515.50422462,
"energy_per_atom": -7.159780897499999,
"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:21.537000Z",
"spacegroup": 1
},
{
"id": "mp-771007",
"created_at": "2022-09-04T14:46:12.302124Z",
"structure_string": "Na4 Li8 Fe4 P4 C4 O28\n1.0\n0.211352 6.518289 5.103232\n0.077902 -6.576822 5.177760\n8.670011 0.090341 0.295290\nNa Li Fe P C O\n4 8 4 4 4 28\ndirect\n0.503046 0.254646 0.087179 Na\n0.003218 0.754715 0.087177 Na\n0.625785 0.122221 0.743602 Na\n0.125779 0.622235 0.743592 Na\n0.132471 0.103591 0.281940 Li\n0.632714 0.603511 0.282124 Li\n0.365132 0.883924 0.275446 Li\n0.864978 0.383844 0.275568 Li\n0.863612 0.893292 0.719715 Li\n0.363505 0.393461 0.719532 Li\n0.507015 0.723639 0.905099 Li\n0.006999 0.223630 0.905024 Li\n0.270345 0.521834 0.339896 Fe\n0.729369 0.490108 0.655817 Fe\n0.770199 0.022039 0.340061 Fe\n0.229844 0.990021 0.655496 Fe\n0.483824 0.241617 0.416856 P\n0.983843 0.741543 0.416865 P\n0.522748 0.772262 0.582434 P\n0.022716 0.272279 0.582421 P\n0.727481 0.968556 0.040735 C\n0.227541 0.468447 0.040672 C\n0.264713 0.016050 0.957350 C\n0.764773 0.516151 0.957408 C\n0.273285 0.019896 0.106800 O\n0.773473 0.520032 0.106825 O\n0.849429 0.091974 0.069384 O\n0.349371 0.591968 0.069340 O\n0.630514 0.889797 0.156095 O\n0.130748 0.389509 0.156072 O\n0.444317 0.382388 0.315994 O\n0.944130 0.882196 0.316000 O\n0.636917 0.200050 0.328478 O\n0.136894 0.699993 0.328422 O\n0.332632 0.087354 0.425089 O\n0.832657 0.587184 0.425198 O\n0.471272 0.715304 0.419948 O\n0.971093 0.215304 0.419945 O\n0.524154 0.297568 0.581609 O\n0.024226 0.797542 0.581564 O\n0.685368 0.912275 0.565794 O\n0.185273 0.412353 0.565684 O\n0.384769 0.832910 0.675595 O\n0.884733 0.332879 0.675691 O\n0.551409 0.627354 0.687364 O\n0.051519 0.127395 0.687264 O\n0.365999 0.125243 0.866720 O\n0.865907 0.625335 0.866671 O\n0.153723 0.904099 0.894497 O\n0.653738 0.404119 0.894645 O\n0.700395 0.922195 0.900679 O\n0.200410 0.422168 0.900623 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
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"Li",
"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Li-Na-O-P",
"density": 2.8221118647551444,
"density_atomic": 0.08919647220029912,
"volume": 582.9826978272087,
"volume_molar": 6.751545897999994,
"formula_full": "Na4 Li8 Fe4 P4 C4 O28",
"formula_reduced": "NaLi2FePCO7",
"formula_anonymous": "ABCDE2F7",
"energy": -371.79372268,
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"band_gap": 3.835,
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"total_magnetization": 8.9e-06,
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"updated_at": "2021-11-28T01:37:24.296000Z",
"spacegroup": 1
},
{
"id": "mp-1225248",
"created_at": "2022-09-04T14:46:11.701352Z",
"structure_string": "Fe36 B4 P8\n1.0\n4.350273 0.000000 0.000000\n-2.162705 6.348773 0.000000\n-2.046789 -0.745770 18.631270\nFe B P\n36 4 8\ndirect\n0.937239 0.400339 0.989557 Fe\n0.270954 0.392981 0.657410 Fe\n0.601920 0.395679 0.322336 Fe\n0.906759 0.602748 0.685821 Fe\n0.233296 0.603005 0.348664 Fe\n0.544593 0.600179 0.007787 Fe\n0.157313 0.944640 0.872756 Fe\n0.493496 0.947307 0.538281 Fe\n0.824504 0.947571 0.202209 Fe\n0.674310 0.061139 0.796188 Fe\n0.996578 0.053848 0.461586 Fe\n0.329928 0.051132 0.126554 Fe\n0.572846 0.391345 0.776454 Fe\n0.904362 0.387597 0.441045 Fe\n0.237648 0.385177 0.106384 Fe\n0.745229 0.610073 0.891375 Fe\n0.078221 0.604845 0.556460 Fe\n0.409618 0.605159 0.220206 Fe\n0.121315 0.343110 0.870440 Fe\n0.443859 0.327192 0.531759 Fe\n0.776244 0.327652 0.196823 Fe\n0.247426 0.659480 0.800338 Fe\n0.573022 0.653607 0.460404 Fe\n0.899810 0.650323 0.122588 Fe\n0.334487 0.187092 0.995070 Fe\n0.674316 0.190295 0.663515 Fe\n0.002370 0.189027 0.328125 Fe\n0.486842 0.818539 0.677374 Fe\n0.817311 0.817895 0.341326 Fe\n0.152872 0.811947 0.002922 Fe\n0.696962 0.956120 0.936326 Fe\n0.059666 0.974510 0.606849 Fe\n0.390936 0.974926 0.272031 Fe\n0.139597 0.045685 0.731911 Fe\n0.467240 0.045147 0.397295 Fe\n0.798684 0.041596 0.060936 Fe\n0.034554 0.340185 0.753134 B\n0.360873 0.336478 0.416894 B\n0.692866 0.331822 0.082436 B\n0.275133 0.662648 0.914819 B\n0.621608 0.660792 0.585301 P\n0.953300 0.663241 0.248029 P\n0.577921 0.249185 0.889523 P\n0.911856 0.246883 0.556307 P\n0.243921 0.247223 0.221289 P\n0.776443 0.756316 0.780721 P\n0.109862 0.754310 0.445618 P\n0.439888 0.752010 0.108825 P\n",
"nsites": 48,
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"elements": [
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"B",
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],
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"density": 7.426815650317733,
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"volume": 514.5751041001118,
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"formula_full": "Fe36 B4 P8",
"formula_reduced": "Fe9BP2",
"formula_anonymous": "AB2C9",
"energy": -389.16168205,
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"updated_at": "2021-11-28T01:37:27.853000Z",
"spacegroup": 1
},
{
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{
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}