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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=95",
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"results": [
{
"id": "mp-764654",
"created_at": "2022-09-04T14:40:00.047326Z",
"structure_string": "Li5 Fe8 B8 O24\n1.0\n5.276223 0.000000 0.000000\n-0.009362 9.084008 0.000000\n-2.452829 -4.477626 10.160988\nLi Fe B O\n5 8 8 24\ndirect\n0.171403 0.835879 0.658768 Li\n0.611466 0.948167 0.903209 Li\n0.922398 0.569110 0.160972 Li\n0.110740 0.447916 0.897336 Li\n0.423852 0.071446 0.165233 Li\n0.402858 0.720906 0.130648 Fe\n0.091455 0.769240 0.879860 Fe\n0.842259 0.859810 0.379876 Fe\n0.652729 0.646097 0.627451 Fe\n0.347964 0.360669 0.383357 Fe\n0.154019 0.157910 0.633102 Fe\n0.906596 0.221744 0.128371 Fe\n0.606294 0.281557 0.878008 Fe\n0.638728 0.982603 0.629220 B\n0.900454 0.896696 0.129227 B\n0.149985 0.484521 0.628946 B\n0.401660 0.392230 0.126989 B\n0.848508 0.518315 0.373197 B\n0.607503 0.609622 0.883848 B\n0.346151 0.021589 0.379256 B\n0.099242 0.102474 0.872152 B\n0.141771 0.882339 0.097712 O\n0.472510 0.881290 0.345636 O\n0.234304 0.970556 0.862120 O\n0.522223 0.853825 0.635280 O\n0.882192 0.972501 0.590136 O\n0.812076 0.790733 0.178779 O\n0.247493 0.510230 0.112895 O\n0.051756 0.634379 0.666772 O\n0.699355 0.724597 0.845650 O\n0.624584 0.520541 0.417123 O\n0.942554 0.653228 0.361638 O\n0.368743 0.626979 0.920872 O\n0.641758 0.379898 0.093516 O\n0.365130 0.464146 0.574306 O\n0.311467 0.281443 0.170018 O\n0.977959 0.380282 0.336960 O\n0.753063 0.487611 0.889512 O\n0.194946 0.219379 0.834538 O\n0.126162 0.027738 0.431933 O\n0.430028 0.146941 0.356189 O\n0.045023 0.359896 0.648671 O\n0.743187 0.010345 0.110011 O\n0.527869 0.128351 0.662894 O\n0.868127 0.122846 0.913772 O\n",
"nsites": 45,
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"elements": [
"Li",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-O",
"density": 3.245797680297215,
"density_atomic": 0.09240084110670369,
"volume": 487.00855382944394,
"volume_molar": 6.517409027744329,
"formula_full": "Li5 Fe8 B8 O24",
"formula_reduced": "Li5Fe8(BO3)8",
"formula_anonymous": "A5B8C8D24",
"energy": -352.59690134,
"energy_per_atom": -7.835486696444444,
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"updated_at": "2021-11-28T01:35:05.589000Z",
"spacegroup": 1
},
{
"id": "mp-1233510",
"created_at": "2022-09-04T14:39:58.345441Z",
"structure_string": "Mg1 Ag20 Bi4 O16\n1.0\n5.968327 0.042112 -0.302719\n0.072591 9.140982 -0.291778\n-0.332128 -0.425132 13.735563\nMg Ag Bi O\n1 20 4 16\ndirect\n0.529729 0.035351 0.873703 Mg\n0.200415 0.719721 0.143601 Ag\n0.802509 0.769270 0.632937 Ag\n0.071289 0.463952 0.005716 Ag\n0.504770 0.015504 0.497552 Ag\n0.898314 0.088458 0.703000 Ag\n0.526896 0.662566 0.828890 Ag\n0.976513 0.871798 0.330319 Ag\n0.471767 0.363069 0.172799 Ag\n0.507910 0.993268 0.266692 Ag\n0.952355 0.492085 0.252638 Ag\n0.354425 0.182548 0.720798 Ag\n0.086424 0.451979 0.738129 Ag\n0.407816 0.954500 0.060122 Ag\n0.052785 0.527688 0.489068 Ag\n0.122842 0.190566 0.881483 Ag\n0.301143 0.766820 0.636191 Ag\n0.711344 0.721537 0.133172 Ag\n0.770011 0.241950 0.354767 Ag\n0.696454 0.326440 0.859861 Ag\n0.256010 0.246025 0.354116 Ag\n0.598807 0.411529 0.589583 Bi\n0.022651 0.802527 0.887160 Bi\n0.498504 0.636719 0.378823 Bi\n0.933763 0.114737 0.112453 Bi\n0.026676 0.347068 0.129027 O\n0.395122 0.871396 0.379577 O\n0.138753 0.583941 0.886152 O\n0.610519 0.165888 0.611492 O\n0.061265 0.858589 0.729117 O\n0.681732 0.486197 0.752784 O\n0.784769 0.132153 0.947112 O\n0.541821 0.661709 0.547880 O\n0.951961 0.838347 0.060986 O\n0.525183 0.379672 0.418042 O\n0.584926 0.132872 0.148339 O\n0.864999 0.650248 0.374010 O\n0.383980 0.856005 0.906467 O\n0.242954 0.404014 0.597453 O\n0.004978 0.100699 0.281377 O\n0.476169 0.602024 0.206820 O\n",
"nsites": 41,
"nelements": 4,
"elements": [
"Mg",
"Ag",
"Bi",
"O"
],
"chemical_system": "Ag-Bi-Mg-O",
"density": 7.270421975667024,
"density_atomic": 0.05483669675578473,
"volume": 747.6745031268665,
"volume_molar": 10.981953903641585,
"formula_full": "Mg1 Ag20 Bi4 O16",
"formula_reduced": "MgAg20(BiO4)4",
"formula_anonymous": "AB4C16D20",
"energy": -179.85559021,
"energy_per_atom": -4.386721712439025,
"energy_above_hull": null,
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"energy_uncorrected": -168.86359021,
"band_gap": 1.08,
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"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.894000Z",
"spacegroup": 1
},
{
"id": "mp-626406",
"created_at": "2022-09-04T14:39:58.398621Z",
"structure_string": "Fe16 H20 O34\n1.0\n10.847636 0.117024 -0.336674\n0.059277 5.916232 -0.032330\n0.170387 -0.059599 10.850945\nFe H O\n16 20 34\ndirect\n0.331500 0.014943 0.077066 Fe\n0.148311 0.035570 0.630227 Fe\n0.838837 0.288739 0.587824 Fe\n0.712534 0.232893 0.073852 Fe\n0.688526 0.994765 0.796917 Fe\n0.884519 0.995655 0.248168 Fe\n0.153487 0.265787 0.340970 Fe\n0.337470 0.274465 0.789998 Fe\n0.331386 0.485658 0.074160 Fe\n0.141181 0.537158 0.627596 Fe\n0.810071 0.789718 0.527252 Fe\n0.888435 0.694672 0.955376 Fe\n0.683848 0.467841 0.804746 Fe\n0.873035 0.503938 0.258558 Fe\n0.161486 0.773216 0.340220 Fe\n0.353780 0.774533 0.787260 Fe\n0.314643 0.076575 0.273697 H\n0.386805 0.040133 0.579165 H\n0.540372 0.221611 0.899940 H\n0.733238 0.263658 0.363322 H\n0.635902 0.120432 0.582240 H\n0.979416 0.029467 0.482145 H\n0.667193 0.890049 0.207340 H\n0.509856 0.253279 0.181910 H\n0.085478 0.321736 0.827608 H\n0.312577 0.494901 0.277618 H\n0.383041 0.525333 0.579188 H\n0.553465 0.742361 0.906631 H\n0.747255 0.624253 0.672565 H\n0.981134 0.529076 0.474722 H\n0.134725 0.761067 0.076797 H\n0.526809 0.722465 0.125772 H\n0.097637 0.853691 0.831066 H\n0.006313 0.379039 0.017839 H\n0.989465 0.073139 0.958712 H\n0.703799 0.601404 0.132154 H\n0.281581 0.036112 0.353992 O\n0.040478 0.027158 0.321098 O\n0.350739 0.030226 0.660412 O\n0.345286 0.021995 0.901505 O\n0.792929 0.233709 0.765336 O\n0.558150 0.236391 0.811522 O\n0.898432 0.249761 0.154129 O\n0.817258 0.295911 0.391335 O\n0.675649 0.981093 0.611092 O\n0.942727 0.019006 0.565464 O\n0.701809 0.040120 0.216567 O\n0.710982 0.010887 0.963394 O\n0.234216 0.257192 0.155157 O\n0.478152 0.244694 0.097342 O\n0.143044 0.287466 0.755393 O\n0.147785 0.268877 0.514935 O\n0.273522 0.505320 0.358022 O\n0.036454 0.502862 0.321544 O\n0.340894 0.524555 0.657736 O\n0.342264 0.524863 0.900031 O\n0.794037 0.726098 0.794828 O\n0.562655 0.739845 0.816975 O\n0.894956 0.719053 0.135228 O\n0.835470 0.762958 0.359959 O\n0.704875 0.530992 0.603953 O\n0.954110 0.545741 0.562575 O\n0.709787 0.470974 0.969015 O\n0.211260 0.755886 0.126467 O\n0.437999 0.743361 0.131834 O\n0.151165 0.806367 0.755385 O\n0.159305 0.801150 0.518602 O\n0.998345 0.438822 0.933945 O\n0.012939 0.917926 0.934767 O\n0.700187 0.488752 0.197825 O\n",
"nsites": 70,
"nelements": 3,
"elements": [
"Fe",
"H",
"O"
],
"chemical_system": "Fe-H-O",
"density": 3.474601516698125,
"density_atomic": 0.10048429452324133,
"volume": 696.6262770925807,
"volume_molar": 5.993116425380406,
"formula_full": "Fe16 H20 O34",
"formula_reduced": "Fe8H10O17",
"formula_anonymous": "A8B10C17",
"energy": -460.92330658,
"energy_per_atom": -6.584618665428571,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -401.46930658,
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"updated_at": "2021-11-28T01:35:05.679000Z",
"spacegroup": 1
},
{
"id": "mp-531245",
"created_at": "2022-09-04T14:39:58.411942Z",
"structure_string": "Co20 Sn10 O40\n1.0\n5.423350 -0.038004 3.046701\n1.768612 5.096231 3.051401\n0.015544 0.040551 30.435772\nCo Sn O\n20 10 40\ndirect\n0.238968 0.251240 0.048772 Co\n0.012357 0.015029 0.197409 Co\n0.620017 0.638195 0.024827 Co\n0.232960 0.235785 0.254307 Co\n0.012433 0.011006 0.398447 Co\n0.621474 0.627413 0.125037 Co\n0.622701 0.626133 0.225337 Co\n0.234290 0.235665 0.453928 Co\n0.012764 0.010095 0.598419 Co\n0.623837 0.624232 0.325513 Co\n0.623863 0.623908 0.425663 Co\n0.234586 0.232730 0.654024 Co\n0.012889 0.002323 0.799802 Co\n0.623904 0.623431 0.525706 Co\n0.624799 0.621098 0.625847 Co\n0.235874 0.248718 0.851371 Co\n0.625584 0.619601 0.725804 Co\n0.633437 0.607225 0.826578 Co\n0.630835 0.136728 0.921312 Co\n0.631603 0.627444 0.921003 Co\n0.027045 0.014034 0.992390 Sn\n0.125145 0.626194 0.125819 Sn\n0.620026 0.132006 0.125370 Sn\n0.123843 0.624117 0.325613 Sn\n0.623918 0.124321 0.325559 Sn\n0.124214 0.623265 0.525789 Sn\n0.623705 0.123537 0.525851 Sn\n0.126215 0.619621 0.725403 Sn\n0.625480 0.118129 0.726058 Sn\n0.135707 0.630897 0.920752 Sn\n0.374333 0.383890 0.077844 O\n0.370816 0.849099 0.078829 O\n0.373800 0.378587 0.172273 O\n0.837650 0.382866 0.078124 O\n0.377214 0.378542 0.277748 O\n0.409330 0.875113 0.170952 O\n0.874801 0.880495 0.076221 O\n0.870774 0.413152 0.171041 O\n0.377019 0.842279 0.277784 O\n0.376806 0.376670 0.371483 O\n0.840543 0.379232 0.277714 O\n0.870026 0.876759 0.171484 O\n0.407790 0.871895 0.371685 O\n0.377457 0.377588 0.477874 O\n0.873786 0.874719 0.278284 O\n0.872427 0.407411 0.371707 O\n0.377212 0.841781 0.477855 O\n0.377054 0.376115 0.571578 O\n0.841426 0.377751 0.477888 O\n0.873896 0.873659 0.371932 O\n0.407748 0.870889 0.571923 O\n0.379544 0.372548 0.677943 O\n0.873039 0.406055 0.571830 O\n0.872799 0.872831 0.478935 O\n0.378004 0.839184 0.677892 O\n0.381379 0.375227 0.770452 O\n0.842478 0.373114 0.678044 O\n0.873813 0.872356 0.572201 O\n0.410422 0.863769 0.773119 O\n0.372002 0.378178 0.878038 O\n0.877544 0.398807 0.771910 O\n0.873644 0.868628 0.679010 O\n0.377201 0.853561 0.877310 O\n0.365130 0.390799 0.970703 O\n0.848731 0.379330 0.878222 O\n0.876140 0.865684 0.772538 O\n0.411329 0.864819 0.973035 O\n0.870749 0.863994 0.880748 O\n0.867465 0.403437 0.974048 O\n0.872206 0.865065 0.974088 O\n",
"nsites": 70,
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"elements": [
"Co",
"Sn",
"O"
],
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"density": 5.923835835688201,
"density_atomic": 0.08308077913788336,
"volume": 842.5534850103643,
"volume_molar": 7.248536692229948,
"formula_full": "Co20 Sn10 O40",
"formula_reduced": "Co2SnO4",
"formula_anonymous": "AB2C4",
"energy": -493.98032629,
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"updated_at": "2021-11-28T01:35:06.381000Z",
"spacegroup": 1
},
{
"id": "mp-1075483",
"created_at": "2022-09-04T14:39:58.476934Z",
"structure_string": "Mg10 Si12\n1.0\n5.073353 0.000000 0.000000\n-0.092547 5.478993 0.000000\n-1.886392 -1.653462 14.119381\nMg Si\n10 12\ndirect\n0.239018 0.922600 0.013497 Mg\n0.285104 0.899923 0.625103 Mg\n0.829161 0.902221 0.745808 Mg\n0.115713 0.022044 0.263738 Mg\n0.605712 0.706914 0.249988 Mg\n0.723802 0.166996 0.935868 Mg\n0.222379 0.350613 0.497906 Mg\n0.668153 0.279580 0.374161 Mg\n0.037420 0.441051 0.123929 Mg\n0.197915 0.394939 0.874917 Mg\n0.711578 0.651490 0.903349 Si\n0.502280 0.497535 0.055516 Si\n0.919841 0.841144 0.436144 Si\n0.743519 0.613962 0.563925 Si\n0.346348 0.877349 0.825164 Si\n0.781354 0.878053 0.087246 Si\n0.413563 0.845263 0.433359 Si\n0.607684 0.390055 0.730105 Si\n0.097644 0.431648 0.685045 Si\n0.541720 0.193195 0.176536 Si\n0.147090 0.525829 0.320596 Si\n0.759372 0.163963 0.574468 Si\n",
"nsites": 22,
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"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.454270970803642,
"density_atomic": 0.056054592087643434,
"volume": 392.4745356384395,
"volume_molar": 10.743349537865086,
"formula_full": "Mg10 Si12",
"formula_reduced": "Mg5Si6",
"formula_anonymous": "A5B6",
"energy": -77.69817237,
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"energy_above_hull": null,
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"energy_uncorrected": -78.55017237,
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"updated_at": "2021-11-28T01:34:45.101000Z",
"spacegroup": 1
},
{
"id": "mp-1268193",
"created_at": "2022-09-04T14:39:58.480001Z",
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"id": "mp-1182700",
"created_at": "2022-09-04T14:39:58.723681Z",
"structure_string": "Fe16 H16 O32\n1.0\n6.162333 0.000000 0.000000\n0.026251 9.224518 0.000000\n0.017600 1.171314 11.284021\nFe H O\n16 16 32\ndirect\n0.012106 0.312939 0.117928 Fe\n0.998845 0.176728 0.625885 Fe\n0.750929 0.826740 0.609309 Fe\n0.750345 0.690880 0.121837 Fe\n0.999610 0.703304 0.852196 Fe\n0.009566 0.841422 0.328839 Fe\n0.750413 0.212779 0.352761 Fe\n0.754365 0.321918 0.841976 Fe\n0.492414 0.311639 0.116374 Fe\n0.504160 0.196290 0.626842 Fe\n0.260689 0.827846 0.607233 Fe\n0.258682 0.705729 0.125447 Fe\n0.506626 0.707549 0.836718 Fe\n0.490832 0.849838 0.335331 Fe\n0.258033 0.216485 0.353532 Fe\n0.253456 0.357356 0.836253 Fe\n0.004770 0.023223 0.461457 H\n0.978576 0.462452 0.666868 H\n0.739960 0.524874 0.957420 H\n0.860944 0.925585 0.112274 H\n0.027252 0.631054 0.566111 H\n0.018219 0.540908 0.285419 H\n0.736657 0.073035 0.164422 H\n0.739377 0.448385 0.203233 H\n0.750815 0.027462 0.787758 H\n0.516992 0.491081 0.674866 H\n0.209587 0.946923 0.798155 H\n0.504671 0.017141 0.488901 H\n0.498132 0.551365 0.290560 H\n0.256747 0.057448 0.167428 H\n0.254864 0.505151 0.001754 H\n0.337906 0.101817 0.840548 H\n0.003980 0.342556 0.293679 O\n0.005799 0.057504 0.371813 O\n0.998087 0.367591 0.712958 O\n0.005152 0.294113 0.946975 O\n0.763020 0.835929 0.793048 O\n0.753212 0.547039 0.871132 O\n0.780921 0.890909 0.184558 O\n0.753390 0.802835 0.431687 O\n0.004354 0.676609 0.639218 O\n0.007263 0.972213 0.595129 O\n0.007906 0.644505 0.249362 O\n0.001760 0.738456 0.017739 O\n0.750398 0.180164 0.162250 O\n0.752296 0.464629 0.115341 O\n0.751060 0.134343 0.757665 O\n0.754683 0.241159 0.522754 O\n0.504705 0.347548 0.293526 O\n0.503240 0.060705 0.370799 O\n0.511557 0.387325 0.711636 O\n0.501422 0.290997 0.945697 O\n0.240282 0.843421 0.793396 O\n0.249557 0.562559 0.864095 O\n0.257702 0.888324 0.205832 O\n0.250548 0.790281 0.440280 O\n0.503045 0.690390 0.659787 O\n0.503816 0.982030 0.585408 O\n0.509236 0.652759 0.250524 O\n0.507013 0.730715 0.013464 O\n0.253659 0.170191 0.163735 O\n0.254393 0.469997 0.090575 O\n0.272973 0.149845 0.768158 O\n0.250994 0.239407 0.526190 O\n",
"nsites": 64,
"nelements": 3,
"elements": [
"Fe",
"H",
"O"
],
"chemical_system": "Fe-H-O",
"density": 3.6802920695424275,
"density_atomic": 0.09977626499314633,
"volume": 641.4351148982795,
"volume_molar": 6.035644609881581,
"formula_full": "Fe16 H16 O32",
"formula_reduced": "FeHO2",
"formula_anonymous": "ABC2",
"energy": -440.5493485,
"energy_per_atom": -6.8835835703125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -382.4693485,
"band_gap": 1.5858,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 79.9971584,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.723000Z",
"spacegroup": 1
}
]
}