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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=10386",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=10384",
"results": [
{
"id": "mp-1234622",
"created_at": "2022-09-04T14:40:43.515059Z",
"structure_string": "Ba6 Mg1 Ir6 O18\n1.0\n5.848616 -0.132489 0.028822\n-3.037906 5.111795 -0.203940\n0.258796 -0.239699 15.028082\nBa Mg Ir O\n6 1 6 18\ndirect\n0.008578 0.973761 0.759112 Ba\n0.964902 0.021828 0.243092 Ba\n0.327715 0.651136 0.907690 Ba\n0.364825 0.620735 0.610227 Ba\n0.650567 0.347626 0.087439 Ba\n0.610092 0.386290 0.364596 Ba\n0.735492 0.155723 0.498232 Mg\n0.988465 0.001029 0.001306 Ir\n0.023416 0.960337 0.505993 Ir\n0.316085 0.683162 0.149969 Ir\n0.295672 0.666057 0.342172 Ir\n0.656481 0.313893 0.851805 Ir\n0.695413 0.325062 0.663988 Ir\n0.054405 0.316089 0.418136 O\n0.683578 0.918738 0.086808 O\n0.950946 0.684576 0.597896 O\n0.302091 0.091265 0.918189 O\n0.150433 0.883585 0.096852 O\n0.109350 0.836984 0.396129 O\n0.822735 0.113845 0.906897 O\n0.901816 0.141954 0.609583 O\n0.600979 0.789997 0.453098 O\n0.192179 0.379777 0.052510 O\n0.433098 0.182197 0.547154 O\n0.802161 0.628414 0.944430 O\n0.521539 0.461002 0.756661 O\n0.451860 0.524390 0.236913 O\n0.523836 0.028222 0.750929 O\n0.968516 0.478129 0.766449 O\n0.462799 0.963684 0.252691 O\n0.013310 0.522598 0.240908 O\n",
"nsites": 31,
"nelements": 4,
"elements": [
"Ba",
"Mg",
"Ir",
"O"
],
"chemical_system": "Ba-Ir-Mg-O",
"density": 8.583161660028168,
"density_atomic": 0.06998552116788351,
"volume": 442.9487625824234,
"volume_molar": 8.604838057223144,
"formula_full": "Ba6 Mg1 Ir6 O18",
"formula_reduced": "Ba6Mg(IrO3)6",
"formula_anonymous": "AB6C6D18",
"energy": -214.72265332,
"energy_per_atom": -6.926537203870968,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -202.35665332,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9586554,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.321000Z",
"spacegroup": 1
},
{
"id": "mp-1234326",
"created_at": "2022-09-04T14:45:25.651424Z",
"structure_string": "Ba6 Mg1 Ir6 O18\n1.0\n5.966873 0.125088 -0.015294\n-2.865259 5.016537 -0.053977\n0.132058 0.129133 15.105637\nBa Mg Ir O\n6 1 6 18\ndirect\n0.993156 0.997938 0.750333 Ba\n0.114546 0.060020 0.279374 Ba\n0.306353 0.649373 0.896663 Ba\n0.355925 0.680497 0.594401 Ba\n0.586727 0.287294 0.050411 Ba\n0.713611 0.359943 0.419275 Ba\n0.563259 0.777558 0.188722 Mg\n0.965895 0.979608 0.989828 Ir\n0.029215 0.018018 0.508708 Ir\n0.101002 0.553515 0.141274 Ir\n0.376599 0.690301 0.359185 Ir\n0.646435 0.323702 0.835087 Ir\n0.688892 0.350792 0.651900 Ir\n0.148387 0.323399 0.422431 O\n0.669728 0.829899 0.068561 O\n0.917705 0.715554 0.596434 O\n0.289376 0.155236 0.899840 O\n0.155312 0.852923 0.069409 O\n0.155282 0.836362 0.422500 O\n0.760576 0.086616 0.905066 O\n0.910658 0.201440 0.596966 O\n0.663915 0.828288 0.455736 O\n0.143743 0.320419 0.058377 O\n0.395548 0.204433 0.559597 O\n0.841792 0.628086 0.923940 O\n0.524135 0.494123 0.741472 O\n0.554263 0.541246 0.282367 O\n0.510475 0.044106 0.737611 O\n0.952216 0.474575 0.753609 O\n0.560338 0.011894 0.282374 O\n0.082019 0.545763 0.268369 O\n",
"nsites": 31,
"nelements": 4,
"elements": [
"Ba",
"Mg",
"Ir",
"O"
],
"chemical_system": "Ba-Ir-Mg-O",
"density": 8.307839248070556,
"density_atomic": 0.06774059287068201,
"volume": 457.6281175923504,
"volume_molar": 8.89000303185473,
"formula_full": "Ba6 Mg1 Ir6 O18",
"formula_reduced": "Ba6Mg(IrO3)6",
"formula_anonymous": "AB6C6D18",
"energy": -214.70241163,
"energy_per_atom": -6.925884246129033,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -202.33641163,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.5692774,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:56.885000Z",
"spacegroup": 1
},
{
"id": "mp-554909",
"created_at": "2022-09-04T14:41:48.693965Z",
"structure_string": "Ba6 Mg2 Ir4 O18\n1.0\n2.919429 -5.056599 0.000000\n2.919429 5.056599 0.000000\n0.000000 0.000000 14.467088\nBa Mg Ir O\n6 2 4 18\ndirect\n0.333333 0.666667 0.913843 Ba\n0.666667 0.333333 0.413843 Ba\n0.333333 0.666667 0.586157 Ba\n0.000000 0.000000 0.250000 Ba\n0.666667 0.333333 0.086157 Ba\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.344379 Ir\n0.666667 0.333333 0.655621 Ir\n0.333333 0.666667 0.155621 Ir\n0.666667 0.333333 0.844379 Ir\n0.170865 0.829135 0.081890 O\n0.829135 0.658269 0.581890 O\n0.515787 0.484213 0.750000 O\n0.341731 0.170865 0.918110 O\n0.484213 0.515787 0.250000 O\n0.341731 0.170865 0.581890 O\n0.031574 0.515787 0.250000 O\n0.829135 0.170865 0.581890 O\n0.515787 0.031574 0.750000 O\n0.658269 0.829135 0.081890 O\n0.170865 0.829135 0.418110 O\n0.968426 0.484213 0.750000 O\n0.829135 0.170865 0.918110 O\n0.658269 0.829135 0.418110 O\n0.170865 0.341731 0.418110 O\n0.170865 0.341731 0.081890 O\n0.484213 0.968426 0.250000 O\n0.829135 0.658269 0.918110 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ba",
"Mg",
"Ir",
"O"
],
"chemical_system": "Ba-Ir-Mg-O",
"density": 7.500848491092095,
"density_atomic": 0.07023501890880536,
"volume": 427.1373520800591,
"volume_molar": 8.574270860265981,
"formula_full": "Ba6 Mg2 Ir4 O18",
"formula_reduced": "Ba3MgIr2O9",
"formula_anonymous": "AB2C3D9",
"energy": -208.83024891,
"energy_per_atom": -6.961008297,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -196.46424891,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.5857928,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:30.235000Z",
"spacegroup": 194
},
{
"id": "mp-1233093",
"created_at": "2022-09-04T14:47:09.056424Z",
"structure_string": "Ba6 Mg1 Ir6 O18\n1.0\n5.702472 -0.025664 -0.043396\n-2.859465 5.253367 0.296736\n0.073622 1.132009 15.003858\nBa Mg Ir O\n6 1 6 18\ndirect\n0.006330 0.993913 0.750404 Ba\n0.052822 0.153907 0.279352 Ba\n0.310807 0.618632 0.899606 Ba\n0.349612 0.688558 0.590310 Ba\n0.618791 0.224163 0.057579 Ba\n0.701826 0.420266 0.423841 Ba\n0.853173 0.715073 0.171258 Mg\n0.949038 0.897415 0.992778 Ir\n0.025922 0.051940 0.504786 Ir\n0.341221 0.690387 0.160906 Ir\n0.375698 0.764566 0.349222 Ir\n0.652783 0.305115 0.837548 Ir\n0.672628 0.341554 0.653041 Ir\n0.223407 0.422305 0.441320 O\n0.589390 0.670707 0.069136 O\n0.829714 0.680695 0.565810 O\n0.318072 0.065296 0.923005 O\n0.061340 0.660326 0.071957 O\n0.160738 0.910206 0.408355 O\n0.871208 0.158764 0.912012 O\n0.888202 0.185442 0.599511 O\n0.690238 0.971491 0.429390 O\n0.044448 0.087998 0.101118 O\n0.356381 0.131952 0.576930 O\n0.800616 0.633101 0.899354 O\n0.495670 0.458388 0.742002 O\n0.551354 0.618436 0.265229 O\n0.525710 0.034732 0.752223 O\n0.963241 0.490383 0.743302 O\n0.497003 0.013286 0.238697 O\n0.055950 0.607672 0.264126 O\n",
"nsites": 31,
"nelements": 4,
"elements": [
"Ba",
"Mg",
"Ir",
"O"
],
"chemical_system": "Ba-Ir-Mg-O",
"density": 8.512733961234773,
"density_atomic": 0.06941126666820836,
"volume": 446.6133739956452,
"volume_molar": 8.676027753226771,
"formula_full": "Ba6 Mg1 Ir6 O18",
"formula_reduced": "Ba6Mg(IrO3)6",
"formula_anonymous": "AB6C6D18",
"energy": -214.98971791,
"energy_per_atom": -6.935152190645161,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -202.62371791,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.089804,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.796000Z",
"spacegroup": 1
},
{
"id": "mp-1233626",
"created_at": "2022-09-04T14:42:24.565189Z",
"structure_string": "Ba6 Mg1 Ir6 O18\n1.0\n5.791503 0.008777 -0.044111\n-2.887742 5.096640 -0.236730\n0.090816 -0.449967 14.980605\nBa Mg Ir O\n6 1 6 18\ndirect\n0.010717 0.016428 0.746741 Ba\n0.937004 0.862208 0.288656 Ba\n0.343271 0.679457 0.896174 Ba\n0.337370 0.662104 0.588566 Ba\n0.706800 0.395882 0.076964 Ba\n0.644045 0.275879 0.423694 Ba\n0.128031 0.235731 0.156506 Mg\n0.025006 0.038139 0.990976 Ir\n0.993555 0.973982 0.504062 Ir\n0.377115 0.737393 0.155273 Ir\n0.314131 0.615683 0.343736 Ir\n0.673379 0.340596 0.842394 Ir\n0.674529 0.338130 0.654743 Ir\n0.135023 0.247138 0.403074 O\n0.761912 0.967725 0.103052 O\n0.855258 0.708160 0.600425 O\n0.310369 0.122246 0.900148 O\n0.228025 0.970967 0.101067 O\n0.114179 0.728104 0.438572 O\n0.814058 0.120242 0.902551 O\n0.869233 0.209391 0.568309 O\n0.627345 0.737848 0.439187 O\n0.226265 0.434930 0.044287 O\n0.352250 0.197538 0.567808 O\n0.829335 0.652897 0.940542 O\n0.526386 0.487796 0.752426 O\n0.466839 0.495514 0.231955 O\n0.529643 0.048323 0.739221 O\n0.967640 0.488525 0.753174 O\n0.478021 0.943885 0.275016 O\n0.045350 0.496329 0.231415 O\n",
"nsites": 31,
"nelements": 4,
"elements": [
"Ba",
"Mg",
"Ir",
"O"
],
"chemical_system": "Ba-Ir-Mg-O",
"density": 8.603312264306393,
"density_atomic": 0.07014982548814662,
"volume": 441.91129178558174,
"volume_molar": 8.584683879245823,
"formula_full": "Ba6 Mg1 Ir6 O18",
"formula_reduced": "Ba6Mg(IrO3)6",
"formula_anonymous": "AB6C6D18",
"energy": -214.81066753,
"energy_per_atom": -6.929376371935484,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -202.44466753,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8655528,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:44.448000Z",
"spacegroup": 1
},
{
"id": "mp-1233352",
"created_at": "2022-09-04T14:40:34.838109Z",
"structure_string": "Ba6 Mg1 Ir6 O18\n1.0\n5.682120 -0.002527 -0.017729\n-2.834042 5.054918 -0.235365\n0.110186 -0.394884 15.139646\nBa Mg Ir O\n6 1 6 18\ndirect\n0.004423 0.998007 0.755380 Ba\n0.973845 0.930229 0.256689 Ba\n0.350243 0.696363 0.892416 Ba\n0.336739 0.653289 0.594329 Ba\n0.718667 0.439906 0.043346 Ba\n0.647044 0.270853 0.427497 Ba\n0.617684 0.213133 0.203518 Mg\n0.034565 0.064171 0.005057 Ir\n0.989767 0.956094 0.502037 Ir\n0.345341 0.682171 0.157776 Ir\n0.308980 0.596002 0.348936 Ir\n0.674691 0.340177 0.840045 Ir\n0.669719 0.321375 0.653912 Ir\n0.129501 0.221546 0.400500 O\n0.730458 0.978278 0.106844 O\n0.853638 0.697334 0.601588 O\n0.325068 0.153678 0.910217 O\n0.255499 0.978009 0.105920 O\n0.121453 0.714411 0.443193 O\n0.826485 0.148361 0.911989 O\n0.864494 0.192872 0.566375 O\n0.622753 0.721147 0.440419 O\n0.226437 0.455974 0.044638 O\n0.346957 0.184974 0.567256 O\n0.856502 0.707818 0.912597 O\n0.518180 0.474697 0.749201 O\n0.475590 0.474102 0.238409 O\n0.523555 0.032186 0.742307 O\n0.969302 0.474683 0.749732 O\n0.468911 0.923778 0.277803 O\n0.015589 0.471052 0.242040 O\n",
"nsites": 31,
"nelements": 4,
"elements": [
"Ba",
"Mg",
"Ir",
"O"
],
"chemical_system": "Ba-Ir-Mg-O",
"density": 8.756017758961084,
"density_atomic": 0.07139495799897633,
"volume": 434.20433135410605,
"volume_molar": 8.434966458116477,
"formula_full": "Ba6 Mg1 Ir6 O18",
"formula_reduced": "Ba6Mg(IrO3)6",
"formula_anonymous": "AB6C6D18",
"energy": -214.48946198,
"energy_per_atom": -6.919014902580645,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -202.12346198,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.1189627,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.989000Z",
"spacegroup": 1
},
{
"id": "mp-1234911",
"created_at": "2022-09-04T14:41:12.266167Z",
"structure_string": "Ba6 Mg1 Ir6 O18\n1.0\n5.971777 0.192896 0.296085\n-2.812241 4.941618 -0.101426\n0.958899 0.459987 15.038603\nBa Mg Ir O\n6 1 6 18\ndirect\n0.092153 0.050486 0.756856 Ba\n0.907750 0.948644 0.243449 Ba\n0.365648 0.681153 0.907667 Ba\n0.483970 0.741386 0.611621 Ba\n0.636134 0.319558 0.091967 Ba\n0.516011 0.258122 0.388595 Ba\n0.000539 0.500561 0.500072 Mg\n0.000217 0.000364 0.000001 Ir\n0.999854 0.000018 0.500077 Ir\n0.286733 0.646948 0.146458 Ir\n0.183773 0.581836 0.330097 Ir\n0.714022 0.353064 0.853274 Ir\n0.816530 0.417617 0.669961 Ir\n0.956042 0.221985 0.404556 O\n0.673852 0.859826 0.092789 O\n0.043790 0.778268 0.595760 O\n0.326533 0.140001 0.907221 O\n0.175305 0.894188 0.087987 O\n0.955538 0.721847 0.405263 O\n0.824717 0.107123 0.912204 O\n0.044762 0.278193 0.594872 O\n0.382310 0.682011 0.433592 O\n0.155536 0.370820 0.050499 O\n0.617824 0.317417 0.566473 O\n0.838469 0.630474 0.948922 O\n0.621504 0.549942 0.761654 O\n0.378230 0.449173 0.238220 O\n0.615909 0.087875 0.751447 O\n0.049247 0.528584 0.773149 O\n0.385240 0.911250 0.248613 O\n0.951858 0.471271 0.226685 O\n",
"nsites": 31,
"nelements": 4,
"elements": [
"Ba",
"Mg",
"Ir",
"O"
],
"chemical_system": "Ba-Ir-Mg-O",
"density": 8.440703870808655,
"density_atomic": 0.0688239465619452,
"volume": 450.4246203332492,
"volume_molar": 8.75006601747221,
"formula_full": "Ba6 Mg1 Ir6 O18",
"formula_reduced": "Ba6Mg(IrO3)6",
"formula_anonymous": "AB6C6D18",
"energy": -216.41091028,
"energy_per_atom": -6.980997105806451,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -204.04491028,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.9287012,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.989000Z",
"spacegroup": 2
},
{
"id": "mp-1233320",
"created_at": "2022-09-04T14:41:09.578327Z",
"structure_string": "Ba6 Mg1 Ir6 O18\n1.0\n5.997628 0.032054 -0.023830\n-2.965033 4.955498 -0.086398\n0.117827 0.027816 14.844030\nBa Mg Ir O\n6 1 6 18\ndirect\n0.977574 0.008403 0.745892 Ba\n0.022297 0.991450 0.254331 Ba\n0.264722 0.692834 0.877220 Ba\n0.334223 0.671520 0.590291 Ba\n0.735577 0.307395 0.122705 Ba\n0.665326 0.328364 0.409673 Ba\n0.500059 0.500139 0.999926 Mg\n0.000089 0.999913 0.000044 Ir\n0.999324 0.999978 0.500101 Ir\n0.351168 0.684890 0.159505 Ir\n0.333170 0.657738 0.351332 Ir\n0.649250 0.315213 0.840495 Ir\n0.666926 0.342476 0.648556 Ir\n0.098350 0.287270 0.406276 O\n0.702707 0.782630 0.093562 O\n0.901682 0.712877 0.593676 O\n0.297149 0.217229 0.906483 O\n0.246683 0.945778 0.085188 O\n0.123538 0.814432 0.412037 O\n0.753630 0.054154 0.914966 O\n0.876210 0.185357 0.588130 O\n0.629743 0.785673 0.447141 O\n0.170601 0.401618 0.051350 O\n0.369912 0.214534 0.552218 O\n0.830019 0.598219 0.948937 O\n0.523242 0.488185 0.745604 O\n0.476606 0.511266 0.254423 O\n0.489888 0.033077 0.737042 O\n0.943039 0.464766 0.747953 O\n0.509983 0.967025 0.262928 O\n0.057311 0.535600 0.252013 O\n",
"nsites": 31,
"nelements": 4,
"elements": [
"Ba",
"Mg",
"Ir",
"O"
],
"chemical_system": "Ba-Ir-Mg-O",
"density": 8.589466224894164,
"density_atomic": 0.07003692742997668,
"volume": 442.6236435199699,
"volume_molar": 8.598522209617164,
"formula_full": "Ba6 Mg1 Ir6 O18",
"formula_reduced": "Ba6Mg(IrO3)6",
"formula_anonymous": "AB6C6D18",
"energy": -214.52850176,
"energy_per_atom": -6.920274250322581,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -202.16250176,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.9878297,
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