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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=11504",
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"results": [
{
"id": "mp-1234938",
"created_at": "2022-09-04T14:46:25.546093Z",
"structure_string": "Mg1 Mo6 O16\n1.0\n6.254582 0.009705 0.018704\n-3.118499 5.399921 -0.007623\n0.030228 0.003985 9.970971\nMg Mo O\n1 6 16\ndirect\n0.327730 0.661660 0.936542 Mg\n0.674083 0.798743 0.249695 Mo\n0.809515 0.144147 0.761016 Mo\n0.124836 0.322089 0.252097 Mo\n0.827230 0.660911 0.765202 Mo\n0.316766 0.166930 0.727446 Mo\n0.196621 0.872093 0.251567 Mo\n0.820510 0.118089 0.151244 O\n0.723030 0.874874 0.653349 O\n0.167395 0.307064 0.645335 O\n0.884051 0.704087 0.146919 O\n0.298122 0.182078 0.151613 O\n0.158862 0.861710 0.653618 O\n0.500347 0.489114 0.851578 O\n0.040003 0.518623 0.346836 O\n0.473514 0.958118 0.346265 O\n0.498424 0.009761 0.856391 O\n0.996284 0.996400 0.359310 O\n0.021385 0.021586 0.860240 O\n0.333095 0.664945 0.131405 O\n0.991117 0.482070 0.846599 O\n0.482482 0.525164 0.348966 O\n0.647102 0.315998 0.654551 O\n",
"nsites": 23,
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"elements": [
"Mg",
"Mo",
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],
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"density": 4.216789590029222,
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"volume": 337.06072827220385,
"volume_molar": 8.825335436188361,
"formula_full": "Mg1 Mo6 O16",
"formula_reduced": "Mg(Mo3O8)2",
"formula_anonymous": "AB6C16",
"energy": -188.75932887,
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"band_gap": 0.0358,
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"is_magnetic": true,
"total_magnetization": 6.0,
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"updated_at": "2021-11-28T01:37:38.443000Z",
"spacegroup": 1
},
{
"id": "mp-781010",
"created_at": "2022-09-04T14:46:25.519413Z",
"structure_string": "Fe7 O3 F9\n1.0\n-5.494610 0.009859 0.023234\n2.656889 -5.048741 -0.046503\n0.110608 -2.619004 8.745884\nFe O F\n7 3 9\ndirect\n0.788183 0.566324 0.071045 Fe\n0.964064 0.957546 0.665047 Fe\n0.522098 0.049628 0.814589 Fe\n0.679491 0.428052 0.431535 Fe\n0.509796 0.928587 0.174244 Fe\n0.050484 0.057207 0.315946 Fe\n0.219954 0.503774 0.585127 Fe\n0.818324 0.275074 0.621496 O\n0.750086 0.748221 0.235053 O\n0.245405 0.248611 0.475675 O\n0.802247 0.256865 0.276936 F\n0.751759 0.254267 0.969345 F\n0.648518 0.725333 0.548305 F\n0.719906 0.786181 0.867917 F\n0.367574 0.227640 0.143247 F\n0.279708 0.257659 0.770511 F\n0.231806 0.778103 0.019738 F\n0.221375 0.766729 0.699711 F\n0.212813 0.750995 0.384484 F\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.169288942774863,
"density_atomic": 0.07821835858760609,
"volume": 242.90972532643508,
"volume_molar": 7.699139778361731,
"formula_full": "Fe7 O3 F9",
"formula_reduced": "Fe7(OF3)3",
"formula_anonymous": "A3B7C9",
"energy": -133.22522975,
"energy_per_atom": -7.011854197368422,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -111.21422975,
"band_gap": 1.845,
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"is_magnetic": true,
"total_magnetization": 28.9998047,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:39.472000Z",
"spacegroup": 1
},
{
"id": "mp-1245036",
"created_at": "2022-09-04T14:46:25.575124Z",
"structure_string": "Al40 O60\n1.0\n9.816861 0.123811 0.315287\n0.085771 11.224939 -0.100686\n0.341085 -0.097170 10.223471\nAl O\n40 60\ndirect\n0.216309 0.557707 0.605332 Al\n0.576425 0.132776 0.776908 Al\n0.983605 0.705793 0.400424 Al\n0.309311 0.584522 0.892951 Al\n0.340724 0.055309 0.578185 Al\n0.755851 0.350516 0.771446 Al\n0.184879 0.273815 0.598510 Al\n0.415194 0.006239 0.970464 Al\n0.294050 0.071286 0.263149 Al\n0.894515 0.550899 0.580799 Al\n0.812136 0.582282 0.903833 Al\n0.795852 0.105488 0.978349 Al\n0.697857 0.048864 0.496858 Al\n0.695550 0.885067 0.895979 Al\n0.045091 0.709473 0.795992 Al\n0.842050 0.341963 0.041765 Al\n0.090397 0.429461 0.851325 Al\n0.121185 0.874315 0.257296 Al\n0.595016 0.957739 0.198967 Al\n0.409295 0.813358 0.755929 Al\n0.478412 0.217841 0.439739 Al\n0.186166 0.841449 0.994760 Al\n0.581294 0.713878 0.334275 Al\n0.774906 0.207212 0.291374 Al\n0.215023 0.803620 0.561020 Al\n0.040508 0.111064 0.459154 Al\n0.912274 0.896189 0.629440 Al\n0.558771 0.479766 0.004074 Al\n0.705419 0.378201 0.491685 Al\n0.576438 0.561578 0.694248 Al\n0.381618 0.441856 0.254354 Al\n0.695442 0.759929 0.598204 Al\n0.405039 0.703247 0.154569 Al\n0.091860 0.286809 0.275002 Al\n0.121263 0.078447 0.976354 Al\n0.808996 0.524069 0.249169 Al\n0.334970 0.252811 0.034113 Al\n0.090091 0.486057 0.129994 Al\n0.885412 0.735073 0.108500 Al\n0.435464 0.366647 0.670175 Al\n0.432933 0.022504 0.144602 O\n0.334802 0.906026 0.630901 O\n0.868483 0.788795 0.511560 O\n0.549254 0.715662 0.720552 O\n0.923389 0.453592 0.922174 O\n0.829645 0.394183 0.614068 O\n0.117543 0.266019 0.443023 O\n0.804100 0.259667 0.895712 O\n0.963001 0.799477 0.246558 O\n0.726786 0.665895 0.240942 O\n0.451864 0.153924 0.920797 O\n0.879502 0.034905 0.542841 O\n0.593177 0.285548 0.738656 O\n0.424141 0.490092 0.790277 O\n0.768267 0.852903 0.730284 O\n0.436884 0.378406 0.079036 O\n0.286133 0.744471 0.869987 O\n0.711480 0.955786 0.059899 O\n0.670215 0.496377 0.841392 O\n0.248936 0.209206 0.195771 O\n0.457475 0.334614 0.342343 O\n0.068943 0.831698 0.682213 O\n0.146149 0.787243 0.406047 O\n0.765593 0.207603 0.121145 O\n0.702515 0.050565 0.847061 O\n0.596192 0.805137 0.470237 O\n0.720948 0.602042 0.586271 O\n0.198322 0.443343 0.253597 O\n0.157412 0.572008 0.779739 O\n0.445989 0.609383 0.012952 O\n0.681035 0.039382 0.321901 O\n0.444213 0.596371 0.279056 O\n0.950742 0.585416 0.134625 O\n0.902118 0.623435 0.755294 O\n0.028821 0.767533 0.962754 O\n0.903402 0.561129 0.390625 O\n0.945997 0.174976 0.324016 O\n0.318371 0.681677 0.595496 O\n0.186855 0.222757 0.955600 O\n0.765521 0.726687 0.976082 O\n0.243645 0.769767 0.142719 O\n0.988486 0.354189 0.149153 O\n0.161666 0.104709 0.596110 O\n0.396958 0.081684 0.404758 O\n0.558576 0.050734 0.622171 O\n0.142026 0.971577 0.116123 O\n0.513973 0.814339 0.218296 O\n0.666245 0.217023 0.463207 O\n0.196381 0.481627 0.984098 O\n0.151755 0.008520 0.355865 O\n0.063982 0.603790 0.543900 O\n0.256203 0.973670 0.904595 O\n0.758580 0.380918 0.324283 O\n0.508486 0.891328 0.883372 O\n0.381762 0.220365 0.606192 O\n0.082424 0.325732 0.731032 O\n0.715880 0.466283 0.084703 O\n0.554904 0.444310 0.567620 O\n0.284358 0.415008 0.586658 O\n0.958911 0.050876 0.943160 O\n",
"nsites": 100,
"nelements": 2,
"elements": [
"Al",
"O"
],
"chemical_system": "Al-O",
"density": 3.0095848176153646,
"density_atomic": 0.0888775812976084,
"volume": 1125.1431299097571,
"volume_molar": 6.775770303463524,
"formula_full": "Al40 O60",
"formula_reduced": "Al2O3",
"formula_anonymous": "A2B3",
"energy": -766.24379091,
"energy_per_atom": -7.6624379091,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -725.02379091,
"band_gap": 3.417700000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0036196,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:37.762000Z",
"spacegroup": 1
},
{
"id": "mp-1268088",
"created_at": "2022-09-04T14:46:25.588392Z",
"structure_string": "Ba1 Al1 Cu1 Ag1 O5\n1.0\n3.895576 0.048505 0.527278\n0.037387 4.523764 0.062916\n1.266752 0.209826 7.206732\nBa Al Cu Ag O\n1 1 1 1 5\ndirect\n0.980986 0.011453 0.991574 Ba\n0.971904 0.130529 0.460760 Al\n0.395649 0.513425 0.262611 Cu\n0.559482 0.530209 0.701053 Ag\n0.191686 0.440006 0.533453 O\n0.647552 0.015954 0.678443 O\n0.864025 0.388178 0.282800 O\n0.308356 0.945878 0.283191 O\n0.580357 0.524365 0.994032 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Ba",
"Al",
"Cu",
"Ag",
"O"
],
"chemical_system": "Ag-Al-Ba-Cu-O",
"density": 5.570511677453126,
"density_atomic": 0.07262528595892712,
"volume": 123.92378055612623,
"volume_molar": 8.292071666892703,
"formula_full": "Ba1 Al1 Cu1 Ag1 O5",
"formula_reduced": "BaAlCuAgO5",
"formula_anonymous": "ABCDE5",
"energy": -53.54811311,
"energy_per_atom": -5.949790345555556,
"energy_above_hull": null,
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"energy_uncorrected": -50.11311311,
"band_gap": 0.0,
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"total_magnetization": 0.0684867,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:39.811000Z",
"spacegroup": 1
},
{
"id": "mp-1076203",
"created_at": "2022-09-04T14:46:25.608050Z",
"structure_string": "La20 Sm12 Cr24 Fe8 O80\n1.0\n-0.019493 -0.007018 11.034268\n11.477545 0.023219 -0.020190\n-5.696034 16.019286 -5.516786\nLa Sm Cr Fe O\n20 12 24 8 80\ndirect\n0.309636 0.062311 0.613876 La\n0.305590 0.564264 0.612928 La\n0.812343 0.062087 0.613990 La\n0.804004 0.566071 0.616372 La\n0.186708 0.435105 0.380953 La\n0.189018 0.435037 0.884606 La\n0.191932 0.935347 0.380216 La\n0.690793 0.434612 0.382072 La\n0.688959 0.936549 0.379637 La\n0.050450 0.309508 0.120031 La\n0.055129 0.302881 0.616910 La\n0.057099 0.807777 0.618470 La\n0.554957 0.301348 0.614676 La\n0.438865 0.191769 0.378299 La\n0.436543 0.195707 0.884387 La\n0.435392 0.693869 0.380797 La\n0.439842 0.697219 0.887137 La\n0.939283 0.198953 0.382220 La\n0.941500 0.192305 0.882892 La\n0.946549 0.690274 0.382172 La\n0.304787 0.059977 0.112910 Sm\n0.303829 0.565874 0.115073 Sm\n0.800516 0.062312 0.110135 Sm\n0.803629 0.561781 0.118003 Sm\n0.188390 0.939739 0.884562 Sm\n0.701556 0.436324 0.892461 Sm\n0.694228 0.935763 0.883824 Sm\n0.052220 0.803910 0.116743 Sm\n0.553691 0.302961 0.114442 Sm\n0.546608 0.804112 0.118486 Sm\n0.557416 0.796728 0.614154 Sm\n0.938680 0.702612 0.887366 Sm\n0.004790 0.999713 0.000304 Cr\n0.001978 0.996461 0.496182 Cr\n0.003207 0.501847 0.997599 Cr\n0.002260 0.502528 0.503605 Cr\n0.504560 0.997254 0.998144 Cr\n0.506988 0.998922 0.503807 Cr\n0.505716 0.500290 0.000561 Cr\n0.503194 0.498215 0.500427 Cr\n0.253860 0.251042 0.002761 Cr\n0.252593 0.249389 0.501364 Cr\n0.250429 0.750472 0.000052 Cr\n0.254862 0.752164 0.502041 Cr\n0.750144 0.247290 0.996319 Cr\n0.753036 0.249704 0.501483 Cr\n0.752758 0.748781 0.001998 Cr\n0.751699 0.750887 0.498452 Cr\n0.116580 0.119771 0.242882 Cr\n0.120583 0.120965 0.745407 Cr\n0.120734 0.623912 0.241941 Cr\n0.620690 0.124364 0.241380 Cr\n0.618625 0.620317 0.247759 Cr\n0.369548 0.882848 0.253916 Cr\n0.859755 0.376881 0.246547 Cr\n0.870030 0.876273 0.750593 Cr\n0.112484 0.613201 0.753598 Fe\n0.614965 0.100071 0.747781 Fe\n0.617226 0.608608 0.754157 Fe\n0.368185 0.388408 0.245868 Fe\n0.368965 0.398303 0.756433 Fe\n0.374472 0.896037 0.755374 Fe\n0.856671 0.400808 0.755304 Fe\n0.862719 0.897635 0.246791 Fe\n0.112478 0.111820 0.474971 O\n0.116261 0.109549 0.974057 O\n0.116508 0.618615 0.481235 O\n0.107489 0.613356 0.967243 O\n0.614712 0.113535 0.479547 O\n0.614211 0.105722 0.969961 O\n0.615798 0.620673 0.479477 O\n0.615415 0.606203 0.970305 O\n0.136944 0.388106 0.024206 O\n0.139053 0.384724 0.527968 O\n0.136331 0.885586 0.027819 O\n0.138062 0.887093 0.524406 O\n0.634063 0.382169 0.022936 O\n0.641127 0.386296 0.528800 O\n0.635635 0.881655 0.027841 O\n0.640177 0.884257 0.527590 O\n0.369811 0.109562 0.485589 O\n0.363644 0.102051 0.972908 O\n0.365301 0.610020 0.479472 O\n0.366469 0.608429 0.976811 O\n0.865001 0.106773 0.475103 O\n0.861045 0.101399 0.970934 O\n0.863050 0.616103 0.476979 O\n0.864859 0.609252 0.970494 O\n0.391975 0.397061 0.030223 O\n0.391219 0.389687 0.529160 O\n0.388303 0.894591 0.025746 O\n0.397267 0.890032 0.530370 O\n0.880261 0.400336 0.021670 O\n0.889581 0.391403 0.529140 O\n0.889184 0.894791 0.028316 O\n0.887319 0.885812 0.519059 O\n0.082005 0.107582 0.120618 O\n0.065861 0.097461 0.620191 O\n0.086989 0.606947 0.118310 O\n0.094873 0.623169 0.644704 O\n0.583060 0.104742 0.118493 O\n0.581659 0.102925 0.631040 O\n0.591103 0.608907 0.122931 O\n0.601265 0.618952 0.645131 O\n0.457258 0.381181 0.357477 O\n0.453532 0.396830 0.872609 O\n0.447908 0.899211 0.379765 O\n0.462671 0.893025 0.871448 O\n0.948515 0.393734 0.366005 O\n0.947109 0.392247 0.872519 O\n0.947825 0.891246 0.368658 O\n0.960422 0.894765 0.875300 O\n0.359012 0.264952 0.138792 O\n0.350264 0.276272 0.649147 O\n0.352907 0.767889 0.136233 O\n0.359243 0.777758 0.646724 O\n0.837003 0.267104 0.130038 O\n0.848399 0.277827 0.648699 O\n0.863368 0.763188 0.144762 O\n0.826556 0.775652 0.624764 O\n0.205036 0.225628 0.364170 O\n0.207205 0.227300 0.865252 O\n0.198318 0.726128 0.364373 O\n0.209770 0.734338 0.860546 O\n0.698588 0.220974 0.363161 O\n0.703281 0.226274 0.854566 O\n0.693293 0.729501 0.373968 O\n0.717516 0.732140 0.860095 O\n0.423321 0.070888 0.243084 O\n0.426294 0.070792 0.751855 O\n0.410325 0.565744 0.243674 O\n0.426826 0.570447 0.752463 O\n0.899697 0.067304 0.243212 O\n0.905549 0.070882 0.749401 O\n0.914753 0.555846 0.245051 O\n0.923263 0.569143 0.757934 O\n0.181779 0.432548 0.249381 O\n0.177311 0.440303 0.752083 O\n0.154577 0.929631 0.245263 O\n0.184403 0.931941 0.755812 O\n0.653092 0.422243 0.244998 O\n0.671028 0.432719 0.759181 O\n0.674553 0.925874 0.244543 O\n0.650415 0.922738 0.749611 O\n",
"nsites": 144,
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"elements": [
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"Sm",
"Cr",
"Fe",
"O"
],
"chemical_system": "Cr-Fe-La-O-Sm",
"density": 6.1822896525870865,
"density_atomic": 0.07094316734183596,
"volume": 2029.7937827633702,
"volume_molar": 8.488683245537416,
"formula_full": "La20 Sm12 Cr24 Fe8 O80",
"formula_reduced": "La5Sm3Cr6(FeO10)2",
"formula_anonymous": "A2B3C5D6E20",
"energy": -1254.58515342,
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"energy_uncorrected": -1133.60115342,
"band_gap": 0.2785000000000002,
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"updated_at": "2021-11-28T01:37:36.889000Z",
"spacegroup": 1
},
{
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"updated_at": "2021-11-28T01:37:38.809000Z",
"spacegroup": 1
}
]
}