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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=12113",
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"results": [
{
"id": "mp-890764",
"created_at": "2022-09-04T14:39:47.935468Z",
"structure_string": "Li6 Mn12 B12 O36\n1.0\n5.252855 0.000000 0.000000\n-2.466365 11.329670 0.000000\n-0.216234 -5.793947 12.669991\nLi Mn B O\n6 12 12 36\ndirect\n0.980152 0.523267 0.623347 Li\n0.464085 0.442071 0.896144 Li\n0.016471 0.150363 0.706518 Li\n0.550017 0.244293 0.430816 Li\n0.022089 0.889350 0.284085 Li\n0.538157 0.554340 0.108259 Li\n0.357376 0.047793 0.826201 Mn\n0.197745 0.940842 0.437267 Mn\n0.647485 0.286076 0.845180 Mn\n0.804918 0.381441 0.245121 Mn\n0.392739 0.409882 0.475782 Mn\n0.206843 0.289842 0.094933 Mn\n0.811975 0.736254 0.891865 Mn\n0.633554 0.610815 0.517180 Mn\n0.215276 0.622783 0.760404 Mn\n0.392685 0.739559 0.141605 Mn\n0.810776 0.065504 0.571588 Mn\n0.660343 0.967522 0.167358 Mn\n0.305155 0.722384 0.399100 B\n0.108566 0.596709 0.024429 B\n0.853321 0.705358 0.664809 B\n0.712946 0.951037 0.923447 B\n0.731775 0.626368 0.251014 B\n0.864312 0.053167 0.323915 B\n0.165637 0.984581 0.659553 B\n0.286157 0.389848 0.737404 B\n0.290641 0.066443 0.072567 B\n0.143508 0.285257 0.348277 B\n0.860641 0.389250 0.984210 B\n0.695991 0.275301 0.599640 B\n0.489015 0.327651 0.758598 O\n0.355641 0.227596 0.364215 O\n0.156801 0.744052 0.927794 O\n0.109901 0.683712 0.475631 O\n0.859018 0.502427 0.114083 O\n0.708829 0.207171 0.679955 O\n0.030446 0.739376 0.591556 O\n0.563614 0.052800 0.896357 O\n0.646937 0.758494 0.199229 O\n0.680085 0.126014 0.319836 O\n0.517555 0.657880 0.415092 O\n0.331253 0.540736 0.030274 O\n0.345349 0.180749 0.977795 O\n0.952667 0.926803 0.738828 O\n0.231195 0.138827 0.555186 O\n0.267085 0.453761 0.658118 O\n0.102591 0.381413 0.800891 O\n0.775639 0.550095 0.769520 O\n0.094930 0.051494 0.140993 O\n0.907241 0.986503 0.847875 O\n0.652509 0.507017 0.349831 O\n0.904843 0.616530 0.195909 O\n0.207983 0.423222 0.246118 O\n0.062410 0.115658 0.239154 O\n0.831155 0.907176 0.417707 O\n0.654722 0.815927 0.020284 O\n0.644688 0.446407 0.970893 O\n0.493034 0.339323 0.577682 O\n0.343273 0.908877 0.665778 O\n0.413942 0.955752 0.114632 O\n0.887201 0.208378 0.429604 O\n0.313075 0.817670 0.311489 O\n0.134268 0.486130 0.899643 O\n0.892121 0.292399 0.532402 O\n0.788335 0.234153 0.086902 O\n0.715004 0.805280 0.651839 O\n",
"nsites": 66,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.0976669803624226,
"density_atomic": 0.08752960248797066,
"volume": 754.0306150604362,
"volume_molar": 6.880118941277762,
"formula_full": "Li6 Mn12 B12 O36",
"formula_reduced": "LiMn2(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy": -372.56124461,
"energy_per_atom": -5.644867342575758,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -346.74924461,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 48.0206603,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.160000Z",
"spacegroup": 1
},
{
"id": "mp-1234609",
"created_at": "2022-09-04T14:39:47.955858Z",
"structure_string": "Sr4 Mg1 Mn2 Ga2 O11\n1.0\n-3.784290 4.504869 0.077571\n-3.819358 -4.544593 -0.086276\n-3.796266 0.127745 7.873456\nSr Mg Mn Ga O\n4 1 2 2 11\ndirect\n0.117619 0.620498 0.755635 Sr\n0.603656 0.107892 0.755571 Sr\n0.404966 0.806172 0.284154 Sr\n0.799386 0.457024 0.235688 Sr\n0.070817 0.108133 0.264917 Mg\n0.225322 0.245323 0.518980 Mn\n0.766839 0.711692 0.529266 Mn\n0.495392 0.490125 0.992321 Ga\n0.967399 0.048502 0.985516 Ga\n0.162659 0.087955 0.759553 O\n0.548007 0.680149 0.769909 O\n0.336263 0.363489 0.268942 O\n0.087049 0.864962 0.145401 O\n0.704187 0.008904 0.401934 O\n0.950806 0.455843 0.549884 O\n0.085132 0.932930 0.498962 O\n0.497479 0.503553 0.498631 O\n0.703222 0.265555 0.979594 O\n0.699775 0.765334 0.025541 O\n0.143075 0.345012 0.029603 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"Mg",
"Mn",
"Ga",
"O"
],
"chemical_system": "Ga-Mg-Mn-O-Sr",
"density": 4.90376766345029,
"density_atomic": 0.07381867528624884,
"volume": 270.93414942012186,
"volume_molar": 8.15801792249423,
"formula_full": "Sr4 Mg1 Mn2 Ga2 O11",
"formula_reduced": "Sr4MgMn2Ga2O11",
"formula_anonymous": "AB2C2D4E11",
"energy": -138.39751452000002,
"energy_per_atom": -6.919875726000001,
"energy_above_hull": null,
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"energy_uncorrected": -127.50451452,
"band_gap": 0.7239,
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"total_magnetization": 7.9994353,
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"updated_at": "2021-11-28T01:34:37.585000Z",
"spacegroup": 1
},
{
"id": "mp-776135",
"created_at": "2022-09-04T14:39:46.799434Z",
"structure_string": "Fe23 O32\n1.0\n8.418572 0.000000 0.000000\n-0.025282 8.450244 0.000000\n-0.009921 -0.059507 8.461089\nFe O\n23 32\ndirect\n0.507487 0.002375 0.503213 Fe\n0.870956 0.125224 0.369347 Fe\n0.121596 0.123851 0.624457 Fe\n0.383038 0.128854 0.882440 Fe\n0.240486 0.251858 0.248627 Fe\n0.748405 0.247435 0.751780 Fe\n0.872417 0.373140 0.124418 Fe\n0.124221 0.375726 0.876024 Fe\n0.624660 0.365587 0.366386 Fe\n0.379081 0.375979 0.625308 Fe\n0.001962 0.494601 0.495709 Fe\n0.506780 0.503160 0.002226 Fe\n0.123208 0.624747 0.125059 Fe\n0.876011 0.624096 0.874720 Fe\n0.376962 0.625729 0.372054 Fe\n0.627311 0.625114 0.624800 Fe\n0.748712 0.751096 0.244453 Fe\n0.249255 0.750483 0.751773 Fe\n0.122519 0.874857 0.372488 Fe\n0.872952 0.873226 0.623438 Fe\n0.379266 0.882891 0.128529 Fe\n0.626906 0.877182 0.879427 Fe\n0.998263 0.002068 0.008540 Fe\n0.111062 0.119707 0.383799 O\n0.354502 0.113249 0.115573 O\n0.614429 0.105752 0.864374 O\n0.131221 0.127870 0.864591 O\n0.884673 0.127815 0.608367 O\n0.891336 0.144782 0.142841 O\n0.644289 0.128923 0.387257 O\n0.364075 0.136567 0.630571 O\n0.871255 0.363073 0.361007 O\n0.135932 0.367692 0.630206 O\n0.373725 0.368586 0.867189 O\n0.376706 0.380548 0.382731 O\n0.645163 0.389181 0.126264 O\n0.110971 0.391097 0.120636 O\n0.876454 0.382664 0.889066 O\n0.614921 0.377980 0.627177 O\n0.889185 0.610981 0.119572 O\n0.612331 0.623813 0.377075 O\n0.368611 0.614344 0.614433 O\n0.882615 0.619876 0.637459 O\n0.117386 0.623342 0.889730 O\n0.131098 0.628563 0.358338 O\n0.358654 0.631181 0.131489 O\n0.635730 0.640825 0.872442 O\n0.133673 0.857872 0.126585 O\n0.863605 0.866888 0.881899 O\n0.627637 0.871933 0.644261 O\n0.612438 0.860687 0.104828 O\n0.374089 0.868004 0.366714 O\n0.876745 0.889535 0.370287 O\n0.120916 0.881404 0.620716 O\n0.387115 0.880986 0.882308 O\n",
"nsites": 55,
"nelements": 2,
"elements": [
"Fe",
"O"
],
"chemical_system": "Fe-O",
"density": 4.955894132261324,
"density_atomic": 0.0913752853684947,
"volume": 601.913304874487,
"volume_molar": 6.590557540492647,
"formula_full": "Fe23 O32",
"formula_reduced": "Fe23O32",
"formula_anonymous": "A23B32",
"energy": -438.89090057,
"energy_per_atom": -7.979834555818181,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -365.01890057,
"band_gap": 0.2974000000000001,
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"is_magnetic": true,
"total_magnetization": 109.9999342,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.298000Z",
"spacegroup": 1
},
{
"id": "mp-1220921",
"created_at": "2022-09-04T14:39:46.932527Z",
"structure_string": "Na5 H7 Se4 O18\n1.0\n5.997104 0.007741 -0.940897\n-1.576098 7.118913 -1.609668\n-0.049080 -0.052899 10.039584\nNa H Se O\n5 7 4 18\ndirect\n0.655034 0.741069 0.189516 Na\n0.346155 0.257971 0.806784 Na\n0.000233 0.000596 0.999857 Na\n0.135967 0.176323 0.399941 Na\n0.868756 0.822570 0.605450 Na\n0.952856 0.323974 0.916841 H\n0.049998 0.677704 0.079512 H\n0.145707 0.388364 0.054457 H\n0.854139 0.609370 0.943771 H\n0.288190 0.560862 0.621067 H\n0.712730 0.437856 0.381869 H\n0.500398 0.984641 0.498228 H\n0.414130 0.798769 0.825919 Se\n0.586474 0.201677 0.175719 Se\n0.248573 0.692782 0.374356 Se\n0.748176 0.306226 0.627111 Se\n0.413677 0.773174 0.983906 O\n0.585699 0.227844 0.017802 O\n0.668955 0.875187 0.795023 O\n0.331328 0.125506 0.206855 O\n0.094234 0.295744 0.964038 O\n0.906127 0.703201 0.033892 O\n0.219996 0.915486 0.774006 O\n0.780026 0.083928 0.226902 O\n0.055713 0.823087 0.400223 O\n0.945757 0.179165 0.602465 O\n0.517236 0.839558 0.448441 O\n0.485407 0.159589 0.558148 O\n0.313176 0.563021 0.724357 O\n0.688289 0.436870 0.278117 O\n0.231904 0.519940 0.453936 O\n0.769049 0.479900 0.546806 O\n0.259980 0.616962 0.207922 O\n0.748932 0.389084 0.795760 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Na",
"H",
"Se",
"O"
],
"chemical_system": "H-Na-O-Se",
"density": 2.8172229286864554,
"density_atomic": 0.07947196467614867,
"volume": 427.82382615745456,
"volume_molar": 7.5776920635351805,
"formula_full": "Na5 H7 Se4 O18",
"formula_reduced": "Na5H7(Se2O9)2",
"formula_anonymous": "A4B5C7D18",
"energy": -183.87594289,
"energy_per_atom": -5.408115967352941,
"energy_above_hull": null,
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"energy_uncorrected": -171.50994289,
"band_gap": 3.3308,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.256000Z",
"spacegroup": 1
},
{
"id": "mp-1179210",
"created_at": "2022-09-04T14:39:46.962238Z",
"structure_string": "Te2 C4 S4 I4 N8\n1.0\n8.396439 0.000000 0.000000\n3.384577 8.835878 0.000000\n3.839509 2.049714 9.654421\nTe C S I N\n2 4 4 4 8\ndirect\n0.123136 0.213895 0.750127 Te\n0.890989 0.780418 0.220947 Te\n0.488060 0.298779 0.426374 C\n0.235982 0.232353 0.035598 C\n0.497073 0.760524 0.522085 C\n0.780185 0.832683 0.838524 C\n0.451397 0.179241 0.605676 S\n0.280201 0.341022 0.886238 S\n0.483971 0.895351 0.388048 S\n0.841843 0.552865 0.249870 S\n0.989361 0.167543 0.566044 I\n0.793619 0.315329 0.957326 I\n0.922927 0.779428 0.484369 I\n0.260838 0.712716 0.077112 I\n0.634595 0.232888 0.342285 N\n0.247775 0.173353 0.170513 N\n0.426983 0.690508 0.657792 N\n0.813236 0.734360 0.770030 N\n0.369026 0.431781 0.415579 N\n0.157243 0.118290 0.129158 N\n0.591859 0.625715 0.594231 N\n0.746607 0.921454 0.913624 N\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Te",
"C",
"S",
"I",
"N"
],
"chemical_system": "C-I-N-S-Te",
"density": 2.4369843623605605,
"density_atomic": 0.030715076384171782,
"volume": 716.2606312558978,
"volume_molar": 19.606465192133967,
"formula_full": "Te2 C4 S4 I4 N8",
"formula_reduced": "TeC2S2(IN2)2",
"formula_anonymous": "AB2C2D2E4",
"energy": -120.12111481,
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"updated_at": "2021-11-28T01:34:43.984000Z",
"spacegroup": 1
},
{
"id": "mp-753359",
"created_at": "2022-09-04T14:39:47.094090Z",
"structure_string": "Li8 Mn4 O8 F4\n1.0\n5.121806 0.000000 0.000000\n-2.550657 4.525326 0.000000\n-0.611504 -1.508923 9.708302\nLi Mn O F\n8 4 8 4\ndirect\n0.136690 0.330347 0.002831 Li\n0.319122 0.151750 0.503361 Li\n0.494156 0.004519 0.003812 Li\n0.760470 0.235615 0.748187 Li\n0.219172 0.728955 0.246812 Li\n0.036208 0.509966 0.501267 Li\n0.639113 0.813468 0.493131 Li\n0.857015 0.683572 0.992538 Li\n0.414248 0.595370 0.751792 Mn\n0.093385 0.922278 0.749073 Mn\n0.931166 0.089241 0.251022 Mn\n0.577159 0.418321 0.250129 Mn\n0.086592 0.227261 0.647625 O\n0.221347 0.071229 0.136563 O\n0.136983 0.653492 0.864811 O\n0.308152 0.454927 0.369798 O\n0.358057 0.874701 0.629025 O\n0.854048 0.345948 0.142050 O\n0.784761 0.927996 0.857602 O\n0.923820 0.787565 0.354052 O\n0.484008 0.309334 0.886339 F\n0.645018 0.124126 0.384915 F\n0.696116 0.530971 0.619142 F\n0.523191 0.709047 0.114124 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.536813477721179,
"density_atomic": 0.10665837647936872,
"volume": 225.01748847304458,
"volume_molar": 5.6461957876931335,
"formula_full": "Li8 Mn4 O8 F4",
"formula_reduced": "Li2MnO2F",
"formula_anonymous": "ABC2D2",
"energy": -156.85507323,
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"energy_uncorrected": -142.83907323,
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"updated_at": "2021-11-28T01:34:28.918000Z",
"spacegroup": 1
},
{
"id": "mp-766895",
"created_at": "2022-09-04T14:39:47.179910Z",
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