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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=12137",
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"results": [
{
"id": "mp-771125",
"created_at": "2022-09-04T14:39:40.344115Z",
"structure_string": "Li5 Fe5 P6 O24\n1.0\n8.461601 0.000000 0.000000\n4.001510 7.592651 0.000000\n3.992484 2.491684 7.182857\nLi Fe P O\n5 5 6 24\ndirect\n0.845116 0.840013 0.843170 Li\n0.753254 0.139764 0.356894 Li\n0.193792 0.853235 0.670150 Li\n0.667877 0.190155 0.858891 Li\n0.857186 0.665026 0.191239 Li\n0.005572 0.999235 0.994750 Fe\n0.354469 0.357712 0.354158 Fe\n0.491276 0.503814 0.500110 Fe\n0.145796 0.146445 0.141245 Fe\n0.647079 0.650883 0.654982 Fe\n0.054003 0.750606 0.452711 P\n0.449623 0.052099 0.756297 P\n0.752825 0.452196 0.052750 P\n0.254933 0.540753 0.958227 P\n0.549313 0.961525 0.256737 P\n0.949664 0.252946 0.537562 P\n0.488885 0.890015 0.695929 O\n0.691240 0.491328 0.891344 O\n0.889906 0.686298 0.497076 O\n0.050111 0.914537 0.261698 O\n0.032231 0.810822 0.603205 O\n0.249496 0.593976 0.423338 O\n0.251431 0.066726 0.909213 O\n0.437337 0.242089 0.589177 O\n0.186734 0.386211 0.995499 O\n0.598516 0.420625 0.251718 O\n0.095474 0.732014 0.955512 O\n0.378803 0.015129 0.201473 O\n0.602874 0.025326 0.819788 O\n0.901958 0.250379 0.073233 O\n0.401179 0.575564 0.754391 O\n0.815755 0.602886 0.027277 O\n0.571491 0.759330 0.405541 O\n0.739373 0.949348 0.092949 O\n0.747820 0.402927 0.577735 O\n0.961700 0.192549 0.388093 O\n0.956802 0.093532 0.727985 O\n0.109597 0.329230 0.466949 O\n0.342982 0.484486 0.103797 O\n0.526525 0.105266 0.330206 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Li",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-O-P",
"density": 3.1800894741349057,
"density_atomic": 0.0866795784458237,
"volume": 461.4697108269939,
"volume_molar": 6.947588887691633,
"formula_full": "Li5 Fe5 P6 O24",
"formula_reduced": "Li5Fe5(PO4)6",
"formula_anonymous": "A5B5C6D24",
"energy": -299.80742372,
"energy_per_atom": -7.4951855929999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -272.03942372,
"band_gap": 1.6421,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 23.0355816,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.169000Z",
"spacegroup": 1
},
{
"id": "mp-674325",
"created_at": "2022-09-04T14:39:40.265390Z",
"structure_string": "Rb4 C1 O6\n1.0\n-5.898181 0.000000 0.000000\n-0.189830 -7.069128 0.000000\n1.798852 1.672261 6.919994\nRb C O\n4 1 6\ndirect\n0.926851 0.431237 0.020127 Rb\n0.066772 0.872892 0.870089 Rb\n0.514912 0.788111 0.272011 Rb\n0.307107 0.281910 0.586806 Rb\n0.055862 0.884554 0.439037 C\n0.923792 0.012623 0.520737 O\n0.303825 0.539244 0.913517 O\n0.989703 0.803792 0.253443 O\n0.307023 0.204260 0.171952 O\n0.431438 0.297625 0.089057 O\n0.253605 0.840452 0.543420 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Rb",
"C",
"O"
],
"chemical_system": "C-O-Rb",
"density": 2.5891337367466716,
"density_atomic": 0.03812440074570323,
"volume": 288.5291253067038,
"volume_molar": 15.796027326878622,
"formula_full": "Rb4 C1 O6",
"formula_reduced": "Rb4CO6",
"formula_anonymous": "AB4C6",
"energy": -56.98780371,
"energy_per_atom": -5.180709428181818,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -56.02180370999999,
"band_gap": 0.3033,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9995562,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.531000Z",
"spacegroup": 1
},
{
"id": "mp-1234581",
"created_at": "2022-09-04T14:39:40.399515Z",
"structure_string": "K1 Ca1 Ni2 H3 Se2 O10\n1.0\n4.489861 3.042932 -1.767245\n4.699735 -3.123608 -1.371351\n-1.105688 0.558027 -9.279302\nK Ca Ni H Se O\n1 1 2 3 2 10\ndirect\n0.443523 0.483004 0.513953 K\n0.062421 0.022031 0.132452 Ca\n0.008903 0.607294 0.929593 Ni\n0.569732 0.070550 0.925494 Ni\n0.677330 0.679504 0.776361 H\n0.293890 0.506281 0.131935 H\n0.479272 0.541357 0.965317 H\n0.850404 0.780339 0.391969 Se\n0.098372 0.075012 0.738151 Se\n0.901379 0.720184 0.563211 O\n0.258228 0.124053 0.576695 O\n0.180144 0.649620 0.273154 O\n0.800632 0.095358 0.355309 O\n0.767052 0.211942 0.756587 O\n0.211461 0.760577 0.770752 O\n0.655182 0.703163 0.882106 O\n0.360532 0.450863 0.019321 O\n0.809431 0.909990 0.051736 O\n0.169875 0.206642 0.876902 O\n",
"nsites": 19,
"nelements": 6,
"elements": [
"K",
"Ca",
"Ni",
"H",
"Se",
"O"
],
"chemical_system": "Ca-H-K-Ni-O-Se",
"density": 3.155128289995497,
"density_atomic": 0.06976063095902646,
"volume": 272.3599219043697,
"volume_molar": 8.632577826793272,
"formula_full": "K1 Ca1 Ni2 H3 Se2 O10",
"formula_reduced": "KCaNi2H3(SeO5)2",
"formula_anonymous": "ABC2D2E3F10",
"energy": -108.32239776,
"energy_per_atom": -5.701178829473684,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -96.37039776,
"band_gap": 2.1295,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0000558,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.839000Z",
"spacegroup": 1
},
{
"id": "mp-1233781",
"created_at": "2022-09-04T14:39:40.443260Z",
"structure_string": "Y4 Mg1 Bi4 O12\n1.0\n5.815493 -0.293685 0.093042\n-0.310270 5.763883 -0.053446\n0.119822 -0.039173 10.797473\nY Mg Bi O\n4 1 4 12\ndirect\n0.034004 0.961615 0.739266 Y\n0.564861 0.531219 0.266236 Y\n0.455648 0.446670 0.736348 Y\n0.006178 0.033765 0.287131 Y\n0.279725 0.381999 0.029758 Mg\n0.013122 0.531288 0.509240 Bi\n0.521374 0.980088 0.503275 Bi\n0.552304 0.979437 0.948408 Bi\n0.893138 0.603234 0.988189 Bi\n0.730320 0.259839 0.365646 O\n0.206285 0.224380 0.611168 O\n0.822558 0.809578 0.152353 O\n0.332789 0.656317 0.893778 O\n0.282209 0.729453 0.628448 O\n0.780184 0.770277 0.411803 O\n0.245206 0.160435 0.884027 O\n0.606460 0.386117 0.067936 O\n0.226598 0.334651 0.215327 O\n0.705256 0.144050 0.779682 O\n0.300317 0.827001 0.360162 O\n0.795626 0.634008 0.664676 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Y",
"Mg",
"Bi",
"O"
],
"chemical_system": "Bi-Mg-O-Y",
"density": 6.478135150160687,
"density_atomic": 0.058192368974086965,
"volume": 360.87205883216905,
"volume_molar": 10.348677783992017,
"formula_full": "Y4 Mg1 Bi4 O12",
"formula_reduced": "Y4Mg(BiO3)4",
"formula_anonymous": "AB4C4D12",
"energy": -157.3108959,
"energy_per_atom": -7.490995042857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -149.0668959,
"band_gap": 1.4897999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.829000Z",
"spacegroup": 1
},
{
"id": "mp-776829",
"created_at": "2022-09-04T14:39:40.642815Z",
"structure_string": "Li8 Mn7 Cr1 P12 O48\n1.0\n8.563375 0.000000 0.000000\n0.005135 8.798695 0.000000\n0.017312 0.047668 11.971702\nLi Mn Cr P O\n8 7 1 12 48\ndirect\n0.215893 0.721902 0.180784 Li\n0.215274 0.777527 0.819988 Li\n0.284821 0.222203 0.318569 Li\n0.284115 0.279599 0.681085 Li\n0.716753 0.721365 0.320354 Li\n0.716366 0.777182 0.680678 Li\n0.783857 0.222552 0.180839 Li\n0.783880 0.278502 0.819305 Li\n0.246596 0.962623 0.612937 Mn\n0.248704 0.535591 0.385981 Mn\n0.251215 0.036531 0.113405 Mn\n0.250508 0.464603 0.886179 Mn\n0.748021 0.536167 0.114717 Mn\n0.748263 0.963343 0.886640 Mn\n0.751374 0.036631 0.385644 Mn\n0.751792 0.463839 0.616134 Cr\n0.036366 0.247410 0.500157 P\n0.464010 0.750468 0.999836 P\n0.535113 0.249869 0.999991 P\n0.964657 0.748952 0.500578 P\n0.105582 0.394001 0.147169 P\n0.105657 0.105957 0.852034 P\n0.393470 0.608144 0.645839 P\n0.394049 0.894015 0.353048 P\n0.605697 0.105676 0.646307 P\n0.605381 0.394188 0.352649 P\n0.894033 0.605692 0.855268 P\n0.894074 0.894488 0.147135 P\n0.059223 0.642193 0.425146 O\n0.058846 0.857967 0.575875 O\n0.075248 0.897327 0.157078 O\n0.074663 0.604778 0.844015 O\n0.145135 0.157844 0.583514 O\n0.146918 0.333800 0.418892 O\n0.155957 0.438081 0.028953 O\n0.155659 0.061044 0.970427 O\n0.158991 0.232944 0.180591 O\n0.158129 0.265771 0.818245 O\n0.177898 0.515587 0.226698 O\n0.178658 0.983273 0.773098 O\n0.321538 0.015794 0.274075 O\n0.320291 0.488246 0.726238 O\n0.337461 0.771055 0.678034 O\n0.340754 0.732984 0.319853 O\n0.344277 0.562892 0.527822 O\n0.344774 0.938017 0.472254 O\n0.357363 0.836548 0.083315 O\n0.357897 0.666437 0.917092 O\n0.423946 0.102650 0.656478 O\n0.424421 0.396850 0.341282 O\n0.441656 0.141332 0.075288 O\n0.442245 0.357488 0.924427 O\n0.557045 0.643056 0.075954 O\n0.558346 0.858652 0.923813 O\n0.573145 0.606116 0.656946 O\n0.574542 0.895910 0.343069 O\n0.643780 0.335915 0.081591 O\n0.644075 0.161943 0.917255 O\n0.655941 0.061181 0.528420 O\n0.656328 0.437770 0.469653 O\n0.657387 0.233335 0.318799 O\n0.658553 0.267204 0.678945 O\n0.678434 0.515638 0.272191 O\n0.677945 0.984563 0.726817 O\n0.821711 0.015920 0.226429 O\n0.823000 0.485152 0.776174 O\n0.841490 0.733557 0.180986 O\n0.840213 0.768067 0.820534 O\n0.845257 0.565054 0.974273 O\n0.844218 0.938778 0.028331 O\n0.855522 0.661658 0.581729 O\n0.857700 0.836235 0.418718 O\n0.924589 0.103140 0.841851 O\n0.925309 0.395432 0.157934 O\n0.944502 0.140267 0.424290 O\n0.943507 0.355533 0.573353 O\n",
"nsites": 76,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-Mn-O-P",
"density": 3.0038810575320665,
"density_atomic": 0.08425476435320732,
"volume": 902.0261415888336,
"volume_molar": 7.147537360325851,
"formula_full": "Li8 Mn7 Cr1 P12 O48",
"formula_reduced": "Li8Mn7Cr(PO4)12",
"formula_anonymous": "AB7C8D12E48",
"energy": -580.5934681299999,
"energy_per_atom": -7.639387738552631,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -533.94246813,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 27.3159829,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.999000Z",
"spacegroup": 1
},
{
"id": "mp-1234983",
"created_at": "2022-09-04T14:39:40.529136Z",
"structure_string": "Mg1 Mn4 Si8 O22\n1.0\n8.757694 0.139240 -0.082774\n-1.099221 7.627122 -0.237964\n-1.419451 -2.314495 6.619487\nMg Mn Si O\n1 4 8 22\ndirect\n0.144903 0.754936 0.150836 Mg\n0.378947 0.654437 0.855447 Mn\n0.401452 0.622011 0.368544 Mn\n0.604640 0.373880 0.648748 Mn\n0.623313 0.377386 0.113897 Mn\n0.029194 0.380775 0.227187 Si\n0.241854 0.213453 0.953949 Si\n0.214813 0.227872 0.522645 Si\n0.610517 0.975299 0.779596 Si\n0.398334 0.033609 0.235317 Si\n0.785752 0.771678 0.473789 Si\n0.766614 0.782538 0.046220 Si\n0.958961 0.606995 0.753049 Si\n0.140325 0.599353 0.850816 O\n0.063034 0.295997 0.415347 O\n0.153036 0.582213 0.296133 O\n0.084143 0.235272 0.038296 O\n0.185095 0.160338 0.706687 O\n0.246015 0.041014 0.348587 O\n0.376272 0.395700 0.599558 O\n0.452894 0.805591 0.673363 O\n0.402496 0.812245 0.184823 O\n0.315203 0.041808 0.008316 O\n0.390976 0.397830 0.070892 O\n0.629647 0.587169 0.921695 O\n0.699558 0.956616 0.999755 O\n0.580241 0.189754 0.833022 O\n0.552327 0.199136 0.364911 O\n0.637989 0.585730 0.373925 O\n0.729784 0.942683 0.627937 O\n0.827456 0.837504 0.292298 O\n0.931515 0.757974 0.973824 O\n0.823719 0.418716 0.675348 O\n0.944096 0.723575 0.596600 O\n0.846762 0.400581 0.166793 O\n",
"nsites": 35,
"nelements": 4,
"elements": [
"Mg",
"Mn",
"Si",
"O"
],
"chemical_system": "Mg-Mn-O-Si",
"density": 3.1166174017889103,
"density_atomic": 0.08003928467619106,
"volume": 437.2852673733514,
"volume_molar": 7.523981235418737,
"formula_full": "Mg1 Mn4 Si8 O22",
"formula_reduced": "MgMn4(Si4O11)2",
"formula_anonymous": "AB4C8D22",
"energy": -291.31850478,
"energy_per_atom": -8.323385850857143,
"energy_above_hull": null,
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"energy_uncorrected": -269.53250478,
"band_gap": 0.7719,
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"total_magnetization": 18.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.288000Z",
"spacegroup": 1
},
{
"id": "mp-780480",
"created_at": "2022-09-04T14:39:40.552305Z",
"structure_string": "Li11 V6 O5 F19\n1.0\n5.130564 0.000000 0.000000\n-0.140323 5.458641 0.000000\n-0.019742 -2.531045 16.005658\nLi V O F\n11 6 5 19\ndirect\n0.491024 0.240420 0.558673 Li\n0.002495 0.398000 0.899297 Li\n0.514255 0.280234 0.795376 Li\n0.988242 0.090965 0.228778 Li\n0.490499 0.118162 0.109663 Li\n0.001290 0.249178 0.431447 Li\n0.002214 0.715709 0.556325 Li\n0.501603 0.856566 0.886422 Li\n0.010605 0.580201 0.100522 Li\n0.501052 0.549439 0.221974 Li\n0.491968 0.795614 0.441805 Li\n0.987383 0.351317 0.666407 V\n0.498784 0.168218 0.334843 V\n0.518271 0.817353 0.664092 V\n0.504415 0.491122 0.001971 V\n0.004554 0.992085 0.001032 V\n0.000375 0.666930 0.333485 V\n0.805748 0.352911 0.306607 O\n0.694494 0.517259 0.629545 O\n0.809244 0.677579 0.972165 O\n0.203020 0.305268 0.035179 O\n0.199658 0.976531 0.365929 O\n0.824685 0.008935 0.621553 F\n0.689148 0.165065 0.953536 F\n0.326543 0.176181 0.689492 F\n0.644217 0.150551 0.450797 F\n0.872495 0.358959 0.781684 F\n0.351605 0.190022 0.220472 F\n0.851565 0.005468 0.118069 F\n0.137064 0.346990 0.548882 F\n0.364810 0.501471 0.884236 F\n0.310832 0.492730 0.382592 F\n0.182422 0.670872 0.697669 F\n0.850342 0.682631 0.449488 F\n0.142759 0.655726 0.217466 F\n0.654508 0.474043 0.116600 F\n0.602931 0.918956 0.779948 F\n0.158954 0.994240 0.890951 F\n0.360137 0.847800 0.553389 F\n0.683309 0.839305 0.288319 F\n0.314591 0.815815 0.049588 F\n",
"nsites": 41,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.048654183726899,
"density_atomic": 0.09146620946588745,
"volume": 448.25296947820993,
"volume_molar": 6.584006044599424,
"formula_full": "Li11 V6 O5 F19",
"formula_reduced": "Li11V6O5F19",
"formula_anonymous": "A5B6C11D19",
"energy": -259.46884718,
"energy_per_atom": -6.328508467804879,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:28.835000Z",
"spacegroup": 1
},
{
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}