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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy&page=10225",
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"results": [
{
"id": "mp-1642906",
"created_at": "2022-09-04T14:47:34.330034Z",
"structure_string": "Li14 Mn10 O24\n1.0\n5.592887 -0.034128 -2.278760\n0.783017 6.115694 -2.003840\n5.354048 0.001198 10.753556\nLi Mn O\n14 10 24\ndirect\n0.833403 0.666672 0.333341 Li\n0.333303 0.666674 0.833318 Li\n0.347547 0.667141 0.088811 Li\n0.844050 0.671930 0.592335 Li\n0.822594 0.661476 0.074310 Li\n0.319090 0.666167 0.577844 Li\n0.670614 0.343083 0.417604 Li\n0.167800 0.338367 0.906215 Li\n0.996076 0.990191 0.249079 Li\n0.498873 0.995078 0.760439 Li\n0.505351 0.990544 0.243579 Li\n0.013948 0.991893 0.753497 Li\n0.161269 0.342821 0.423098 Li\n0.652694 0.341457 0.913160 Li\n0.833284 0.666744 0.833363 Mn\n0.333425 0.666614 0.333323 Mn\n0.496946 0.999180 0.496727 Mn\n0.000377 0.997842 0.996206 Mn\n0.169717 0.334087 0.169930 Mn\n0.666238 0.335528 0.670500 Mn\n0.989230 0.000189 0.495820 Mn\n0.494265 0.995317 0.995697 Mn\n0.677579 0.333050 0.170817 Mn\n0.172251 0.338039 0.670920 Mn\n0.547831 0.686214 0.447736 O\n0.050542 0.680517 0.947985 O\n0.119014 0.646991 0.218915 O\n0.616102 0.652885 0.718680 O\n0.434733 0.349549 0.294047 O\n0.930637 0.351505 0.792127 O\n0.232083 0.983629 0.372603 O\n0.735879 0.981889 0.874588 O\n0.265657 0.010892 0.122530 O\n0.763731 0.008389 0.618076 O\n0.902962 0.324969 0.048602 O\n0.400923 0.322372 0.544156 O\n0.090358 0.682725 0.453615 O\n0.593422 0.677636 0.954214 O\n0.576464 0.650586 0.213018 O\n0.073129 0.655743 0.712460 O\n0.906717 0.332852 0.274130 O\n0.434701 0.324362 0.783802 O\n0.760011 0.000481 0.392553 O\n0.231898 0.009050 0.882870 O\n0.761754 0.017124 0.126446 O\n0.226228 0.012744 0.607644 O\n0.440388 0.320572 0.059033 O\n0.904910 0.316240 0.540235 O\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.8620113121918735,
"density_atomic": 0.10832802042433151,
"volume": 443.09865362608195,
"volume_molar": 5.559171797297395,
"formula_full": "Li14 Mn10 O24",
"formula_reduced": "Li7Mn5O12",
"formula_anonymous": "A5B7C12",
"energy": -339.84245332,
"energy_per_atom": -7.080051110833334,
"energy_above_hull": null,
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"energy_uncorrected": -306.67445332,
"band_gap": 0.8207,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 35.9996762,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:13.810000Z",
"spacegroup": 2
},
{
"id": "mp-1643648",
"created_at": "2022-09-04T14:47:24.716430Z",
"structure_string": "Li14 Mn10 O24\n1.0\n5.087079 0.020557 4.045197\n-4.652566 6.144750 0.728711\n-5.965629 -6.089174 5.053176\nLi Mn O\n14 10 24\ndirect\n0.328657 0.415117 0.079701 Li\n0.337907 0.918170 0.586892 Li\n0.179439 0.700332 0.050627 Li\n0.170620 0.194838 0.543562 Li\n0.486918 0.633337 0.615578 Li\n0.496351 0.138250 0.123480 Li\n0.848105 0.054748 0.719885 Li\n0.843678 0.547875 0.219581 Li\n0.823239 0.785550 0.446729 Li\n0.818489 0.278713 0.947097 Li\n0.172931 0.469368 0.798154 Li\n0.152276 0.947505 0.287123 Li\n0.514732 0.385685 0.379554 Li\n0.492940 0.863904 0.868125 Li\n0.333238 0.666777 0.333394 Mn\n0.333342 0.166591 0.833344 Mn\n0.005743 0.003700 0.005258 Mn\n0.011760 0.510315 0.506915 Mn\n0.654576 0.822919 0.159702 Mn\n0.660798 0.329513 0.661451 Mn\n0.003262 0.252337 0.250593 Mn\n0.010791 0.754839 0.750645 Mn\n0.663877 0.081197 0.416099 Mn\n0.655741 0.578301 0.915957 Mn\n0.749600 0.295788 0.310030 O\n0.784729 0.820440 0.833368 O\n0.917098 0.037505 0.356441 O\n0.882080 0.512825 0.833438 O\n0.087880 0.210954 0.898995 O\n0.090700 0.717112 0.397178 O\n0.575985 0.616434 0.269683 O\n0.578771 0.122158 0.767607 O\n0.423979 0.638753 0.973318 O\n0.455552 0.165508 0.495223 O\n0.242821 0.694648 0.693400 O\n0.211357 0.167861 0.171670 O\n0.756458 0.046044 0.059512 O\n0.754382 0.551921 0.564303 O\n0.910237 0.287258 0.607173 O\n0.912167 0.781399 0.102435 O\n0.104606 0.489489 0.172385 O\n0.107079 0.991609 0.673755 O\n0.562420 0.844074 0.494211 O\n0.559464 0.341527 0.992974 O\n0.413271 0.875788 0.227747 O\n0.414079 0.373652 0.723687 O\n0.253302 0.457936 0.438972 O\n0.252573 0.959430 0.943055 O\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.855816841996775,
"density_atomic": 0.10815426777588788,
"volume": 443.81050315520895,
"volume_molar": 5.5681027515981105,
"formula_full": "Li14 Mn10 O24",
"formula_reduced": "Li7Mn5O12",
"formula_anonymous": "A5B7C12",
"energy": -339.84255405,
"energy_per_atom": -7.0800532093749995,
"energy_above_hull": null,
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"energy_uncorrected": -306.67455405,
"band_gap": 0.8451,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 36.0013054,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:04.922000Z",
"spacegroup": 2
},
{
"id": "mp-1648171",
"created_at": "2022-09-04T14:44:50.252262Z",
"structure_string": "Li14 Mn10 O24\n1.0\n5.482572 -0.019585 4.247817\n0.664860 6.122196 4.518838\n-6.382023 -6.073220 4.291443\nLi Mn O\n14 10 24\ndirect\n0.083768 0.583389 0.916691 Li\n0.583331 0.083278 0.416480 Li\n0.976123 0.205886 0.539202 Li\n0.472264 0.708983 0.036276 Li\n0.190810 0.960182 0.294025 Li\n0.693474 0.458052 0.796924 Li\n0.289529 0.536959 0.193715 Li\n0.775000 0.047656 0.709487 Li\n0.877916 0.630214 0.639642 Li\n0.391215 0.118396 0.123789 Li\n0.120208 0.371135 0.377691 Li\n0.643736 0.859777 0.869802 Li\n0.522304 0.306795 0.963278 Li\n0.046870 0.795983 0.456139 Li\n0.833355 0.832366 0.166895 Mn\n0.333215 0.333888 0.666112 Mn\n0.500723 0.497411 0.500740 Mn\n0.989977 0.998329 0.998326 Mn\n0.175232 0.168581 0.835349 Mn\n0.667030 0.669117 0.332340 Mn\n0.241597 0.750311 0.753090 Mn\n0.740657 0.251690 0.253213 Mn\n0.426437 0.914494 0.580023 Mn\n0.924931 0.417182 0.080597 Mn\n0.102219 0.790268 0.108324 O\n0.606070 0.290986 0.607247 O\n0.065096 0.375369 0.725502 O\n0.560204 0.875937 0.225588 O\n0.480792 0.103571 0.752007 O\n0.978778 0.606965 0.257899 O\n0.187638 0.560267 0.575490 O\n0.686087 0.062686 0.081258 O\n0.306152 0.933255 0.925158 O\n0.809015 0.432097 0.421285 O\n0.357787 0.734801 0.411884 O\n0.860568 0.233434 0.908422 O\n0.388514 0.518930 0.839885 O\n0.884872 0.023388 0.341486 O\n0.281744 0.143102 0.491944 O\n0.777921 0.648283 0.993441 O\n0.229890 0.337513 0.012542 O\n0.696794 0.849393 0.516853 O\n0.469864 0.317681 0.316514 O\n0.936133 0.829258 0.820954 O\n0.559329 0.690156 0.673134 O\n0.020779 0.196751 0.184213 O\n0.145850 0.970115 0.649410 O\n0.608207 0.475737 0.159740 O\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.8546362252401978,
"density_atomic": 0.10812115190289288,
"volume": 443.94643559763733,
"volume_molar": 5.569808177227598,
"formula_full": "Li14 Mn10 O24",
"formula_reduced": "Li7Mn5O12",
"formula_anonymous": "A5B7C12",
"energy": -339.84417033,
"energy_per_atom": -7.080086881875,
"energy_above_hull": null,
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"energy_uncorrected": -306.67617033,
"band_gap": 0.8045999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 36.0027121,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:42.802000Z",
"spacegroup": 2
},
{
"id": "mp-1221116",
"created_at": "2022-09-04T14:39:46.006818Z",
"structure_string": "Na4 Co4 P8 H4 O28\n1.0\n-6.605357 -0.033124 -0.224909\n-0.585238 6.197016 -2.600941\n0.611312 -6.131510 -10.553766\nNa Co P H O\n4 4 8 4 28\ndirect\n0.618097 0.371493 0.118489 Na\n0.618042 0.871488 0.618459 Na\n0.337443 0.108092 0.343916 Na\n0.337512 0.608162 0.843980 Na\n0.149179 0.256733 0.640573 Co\n0.851649 0.740717 0.356442 Co\n0.149164 0.756679 0.140539 Co\n0.851642 0.240503 0.856325 Co\n0.118348 0.219002 0.081025 P\n0.118468 0.719011 0.581038 P\n0.880073 0.281863 0.418830 P\n0.880027 0.781852 0.918826 P\n0.643475 0.847632 0.130790 P\n0.643475 0.347765 0.630795 P\n0.356121 0.651214 0.369215 P\n0.356130 0.151165 0.869241 P\n0.287599 0.416131 0.216167 H\n0.287733 0.916038 0.716216 H\n0.712295 0.089124 0.285842 H\n0.712331 0.589209 0.785842 H\n0.209108 0.417406 0.135542 O\n0.209309 0.917341 0.635546 O\n0.792085 0.082816 0.362471 O\n0.791977 0.582857 0.862452 O\n0.590265 0.060330 0.190886 O\n0.590223 0.560460 0.690846 O\n0.403114 0.438957 0.307007 O\n0.403277 0.938884 0.807072 O\n0.829837 0.738533 0.184055 O\n0.829892 0.238781 0.684083 O\n0.174063 0.766682 0.315587 O\n0.173996 0.266470 0.815543 O\n0.113497 0.072136 0.164148 O\n0.113432 0.572150 0.664153 O\n0.889974 0.429397 0.336956 O\n0.890028 0.929355 0.836934 O\n0.466168 0.717474 0.115166 O\n0.466250 0.217513 0.615215 O\n0.536072 0.777703 0.388072 O\n0.535978 0.277784 0.888077 O\n0.712935 0.882258 0.008869 O\n0.712948 0.382247 0.508850 O\n0.284626 0.616048 0.490517 O\n0.284575 0.116035 0.990544 O\n0.921846 0.277303 0.021793 O\n0.921964 0.777454 0.521838 O\n0.076695 0.219340 0.477128 O\n0.076664 0.719410 0.977100 O\n",
"nsites": 48,
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"elements": [
"Na",
"Co",
"P",
"H",
"O"
],
"chemical_system": "Co-H-Na-O-P",
"density": 3.1734668590325863,
"density_atomic": 0.08927823202907892,
"volume": 537.6450553407673,
"volume_molar": 6.745362921208521,
"formula_full": "Na4 Co4 P8 H4 O28",
"formula_reduced": "NaCoP2HO7",
"formula_anonymous": "ABCD2E7",
"energy": -339.84576446,
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"updated_at": "2021-11-28T01:34:27.679000Z",
"spacegroup": 1
},
{
"id": "mp-510458",
"created_at": "2022-09-04T14:43:50.200264Z",
"structure_string": "H16 C16 N16\n1.0\n5.047060 0.000000 0.000000\n0.000000 8.713299 0.000000\n0.000000 2.599785 12.398007\nH C N\n16 16 16\ndirect\n0.262508 0.115740 0.068602 H\n0.762508 0.884260 0.431398 H\n0.737492 0.884260 0.931398 H\n0.237492 0.115740 0.568602 H\n0.513656 0.205380 0.127790 H\n0.013656 0.794620 0.372210 H\n0.486344 0.794620 0.872210 H\n0.986344 0.205380 0.627790 H\n0.807569 0.419874 0.893617 H\n0.307569 0.580126 0.606383 H\n0.192431 0.580126 0.106383 H\n0.692431 0.419874 0.393617 H\n0.794777 0.381650 0.034860 H\n0.294777 0.618350 0.465140 H\n0.205223 0.618350 0.965140 H\n0.705223 0.381650 0.534860 H\n0.517050 0.264372 0.964063 C\n0.017050 0.735628 0.535937 C\n0.482950 0.735628 0.035937 C\n0.982950 0.264372 0.464063 C\n0.406187 0.236451 0.865325 C\n0.906187 0.763549 0.634675 C\n0.593813 0.763549 0.134675 C\n0.093813 0.236451 0.365325 C\n0.199387 0.128450 0.865722 C\n0.699387 0.871550 0.634278 C\n0.800613 0.871550 0.134278 C\n0.300613 0.128450 0.365722 C\n0.505264 0.314910 0.765906 C\n0.005264 0.685090 0.734094 C\n0.494736 0.685090 0.234094 C\n0.994736 0.314910 0.265906 C\n0.417742 0.193180 0.059585 N\n0.917742 0.806820 0.440415 N\n0.582258 0.806820 0.940415 N\n0.082258 0.193180 0.559585 N\n0.720557 0.363029 0.963101 N\n0.220557 0.636971 0.536899 N\n0.279443 0.636971 0.036899 N\n0.779443 0.363029 0.463101 N\n0.026441 0.037920 0.867267 N\n0.526441 0.962080 0.632733 N\n0.973559 0.962080 0.132733 N\n0.473559 0.037920 0.367267 N\n0.587185 0.382199 0.682160 N\n0.087185 0.617801 0.817840 N\n0.412815 0.617801 0.317840 N\n0.912815 0.382199 0.182160 N\n",
"nsites": 48,
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"N"
],
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"density_atomic": 0.0880376163147793,
"volume": 545.2214861017541,
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"formula_full": "H16 C16 N16",
"formula_reduced": "HCN",
"formula_anonymous": "ABC",
"energy": -339.85038889000003,
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"updated_at": "2021-11-28T01:36:25.162000Z",
"spacegroup": 14
},
{
"id": "mp-768969",
"created_at": "2022-09-04T14:40:33.322570Z",
"structure_string": "Bi6 B14 O24\n1.0\n7.043385 0.000000 0.000000\n-1.101983 9.051227 0.000000\n-2.326079 -1.171879 9.076264\nBi B O\n6 14 24\ndirect\n0.163980 0.226575 0.737117 Bi\n0.633462 0.050149 0.183493 Bi\n0.508510 0.337489 0.003004 Bi\n0.491490 0.662511 0.996996 Bi\n0.366538 0.949851 0.816507 Bi\n0.836020 0.773425 0.262883 Bi\n0.996572 0.325258 0.315689 B\n0.813552 0.064683 0.857990 B\n0.916285 0.803037 0.908977 B\n0.806535 0.524654 0.810462 B\n0.699007 0.310502 0.454944 B\n0.641896 0.707255 0.520755 B\n0.639835 0.253061 0.694283 B\n0.360165 0.746939 0.305717 B\n0.358104 0.292745 0.479245 B\n0.300993 0.689498 0.545056 B\n0.193465 0.475346 0.189538 B\n0.083715 0.196963 0.091023 B\n0.186448 0.935317 0.142010 B\n0.003428 0.674742 0.684311 B\n0.945872 0.206170 0.183546 O\n0.976934 0.169231 0.930152 O\n0.941951 0.531840 0.730577 O\n0.840056 0.711721 0.565556 O\n0.816181 0.335630 0.363291 O\n0.756318 0.257113 0.588297 O\n0.654212 0.114962 0.765710 O\n0.780842 0.654383 0.891565 O\n0.694193 0.388142 0.813018 O\n0.573988 0.753038 0.381280 O\n0.788220 0.916661 0.870252 O\n0.500167 0.663710 0.594048 O\n0.499833 0.336290 0.405952 O\n0.211780 0.083339 0.129748 O\n0.426012 0.246962 0.618720 O\n0.305807 0.611858 0.186982 O\n0.219158 0.345617 0.108435 O\n0.345788 0.885038 0.234290 O\n0.243682 0.742887 0.411703 O\n0.183819 0.664370 0.636709 O\n0.159944 0.288279 0.434444 O\n0.058049 0.468160 0.269423 O\n0.023066 0.830769 0.069848 O\n0.054128 0.793830 0.816454 O\n",
"nsites": 44,
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"elements": [
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"B",
"O"
],
"chemical_system": "B-Bi-O",
"density": 5.134726575529983,
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"formula_full": "Bi6 B14 O24",
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"energy": -339.85551781,
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"updated_at": "2021-11-28T01:35:06.785000Z",
"spacegroup": 2
},
{
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{
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{
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{
"id": "mp-1648875",
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"structure_string": "Li14 Mn10 O24\n1.0\n4.972411 -0.051449 -1.083304\n-1.869309 14.935237 -0.837782\n-0.176526 -0.104215 5.988190\nLi Mn O\n14 10 24\ndirect\n0.562709 0.078824 0.150582 Li\n0.103762 0.587867 0.182660 Li\n0.580472 0.080966 0.668359 Li\n0.086235 0.585764 0.664980 Li\n0.333375 0.333342 0.166659 Li\n0.833321 0.833360 0.166526 Li\n0.764153 0.253467 0.514408 Li\n0.248628 0.755465 0.496145 Li\n0.902358 0.413215 0.818859 Li\n0.418243 0.911173 0.837110 Li\n0.740508 0.252832 0.003775 Li\n0.238027 0.753862 0.005626 Li\n0.926060 0.413878 0.329325 Li\n0.428693 0.912761 0.327499 Li\n0.833658 0.833271 0.666781 Mn\n0.494583 0.498187 0.992819 Mn\n0.990162 0.998454 0.998949 Mn\n0.171873 0.168565 0.340527 Mn\n0.676262 0.668236 0.334349 Mn\n0.333446 0.333372 0.666753 Mn\n0.496067 0.497927 0.487228 Mn\n0.994620 0.996822 0.491329 Mn\n0.170575 0.168627 0.845993 Mn\n0.671673 0.669749 0.841749 Mn\n0.272622 0.050437 0.845077 O\n0.749345 0.540114 0.802943 O\n0.917178 0.126441 0.530017 O\n0.393095 0.616087 0.487605 O\n0.278867 0.047247 0.349814 O\n0.775666 0.541865 0.345003 O\n0.890706 0.124778 0.987520 O\n0.386523 0.619412 0.982964 O\n0.421609 0.202763 0.148325 O\n0.948467 0.702906 0.179403 O\n0.245669 0.463574 0.184816 O\n0.717506 0.964106 0.154180 O\n0.450522 0.215942 0.689957 O\n0.950849 0.715345 0.689204 O\n0.216715 0.450685 0.643230 O\n0.716890 0.951557 0.645147 O\n0.604623 0.378341 0.508157 O\n0.107473 0.878134 0.510351 O\n0.062624 0.288176 0.825877 O\n0.559295 0.788289 0.823300 O\n0.594787 0.377359 0.966755 O\n0.091463 0.877967 0.967428 O\n0.072670 0.289620 0.367038 O\n0.575375 0.788866 0.366898 O\n",
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{
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{
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}
]
}