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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=71",
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"results": [
{
"id": "mp-758553",
"created_at": "2022-09-04T14:39:07.181637Z",
"structure_string": "Li4 Ti2 Nb3 Fe3 O16\n1.0\n5.997332 -0.010863 0.027892\n-3.008035 5.225783 -0.008261\n0.041842 0.009701 9.888515\nLi Ti Nb Fe O\n4 2 3 3 16\ndirect\n0.331011 0.663588 0.901347 Li\n0.008068 0.003841 0.998839 Li\n0.024293 0.012409 0.484154 Li\n0.671476 0.336115 0.393259 Li\n0.289316 0.639489 0.485766 Ti\n0.658876 0.327954 0.006858 Ti\n0.638111 0.819929 0.221957 Nb\n0.817014 0.656788 0.718664 Nb\n0.805236 0.161033 0.714103 Nb\n0.182109 0.833567 0.213535 Fe\n0.182736 0.349136 0.213160 Fe\n0.365320 0.168889 0.713737 Fe\n0.162377 0.823717 0.594147 O\n0.044258 0.522372 0.347643 O\n0.335277 0.667049 0.094793 O\n0.994984 0.997924 0.297989 O\n0.000929 0.003142 0.810623 O\n0.158867 0.338216 0.593433 O\n0.491390 0.965599 0.352067 O\n0.491202 0.526831 0.352986 O\n0.342012 0.171372 0.092493 O\n0.669620 0.835321 0.597969 O\n0.525455 0.489764 0.844763 O\n0.523619 0.033440 0.850970 O\n0.690307 0.353770 0.587789 O\n0.813904 0.653830 0.093569 O\n0.967328 0.484358 0.836621 O\n0.814905 0.160855 0.094603 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Ti",
"Nb",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Nb-O-Ti",
"density": 4.429097817450362,
"density_atomic": 0.0904439553471408,
"volume": 309.5839837226354,
"volume_molar": 6.6584225964973545,
"formula_full": "Li4 Ti2 Nb3 Fe3 O16",
"formula_reduced": "Li4Ti2Nb3Fe3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -231.37034793,
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"energy_uncorrected": -213.61034793,
"band_gap": 0.1104000000000002,
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"is_magnetic": true,
"total_magnetization": 10.9955896,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.049000Z",
"spacegroup": 1
},
{
"id": "mp-1208135",
"created_at": "2022-09-04T14:39:11.565650Z",
"structure_string": "Tm12 Fe2 Pb3\n1.0\n-4.793789 4.793789 4.928011\n4.793789 -4.793789 4.928011\n4.793789 4.793789 -4.928011\nTm Fe Pb\n12 2 3\ndirect\n0.460350 0.215210 0.245140 Tm\n0.539650 0.784790 0.754860 Tm\n0.970070 0.215210 0.754860 Tm\n0.215210 0.970070 0.754860 Tm\n0.029930 0.784790 0.245140 Tm\n0.784790 0.029930 0.245140 Tm\n0.215210 0.460350 0.245140 Tm\n0.784790 0.539650 0.754860 Tm\n0.304977 0.304977 0.609953 Tm\n0.695023 0.695023 0.390047 Tm\n0.304977 0.695023 0.000000 Tm\n0.695023 0.304977 0.000000 Tm\n0.388544 0.388544 0.000000 Fe\n0.611456 0.611456 0.000000 Fe\n0.500000 0.000000 0.500000 Pb\n0.000000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Tm",
"Fe",
"Pb"
],
"chemical_system": "Fe-Pb-Tm",
"density": 10.119229410827815,
"density_atomic": 0.03752834672780782,
"volume": 452.990911731353,
"volume_molar": 16.046911961452604,
"formula_full": "Tm12 Fe2 Pb3",
"formula_reduced": "Tm12Fe2Pb3",
"formula_anonymous": "A2B3C12",
"energy": -85.69087215,
"energy_per_atom": -5.040639538235294,
"energy_above_hull": null,
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"energy_uncorrected": -85.69087215,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.6573678,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.489000Z",
"spacegroup": 139
},
{
"id": "mp-758147",
"created_at": "2022-09-04T14:39:08.177832Z",
"structure_string": "Li4 Cu4 P12 O36\n1.0\n7.978694 0.000000 0.000000\n0.000000 8.790893 0.000000\n0.000000 0.000000 12.391293\nLi Cu P O\n4 4 12 36\ndirect\n0.004215 0.363832 0.994709 Li\n0.495785 0.636168 0.494709 Li\n0.504215 0.136168 0.005291 Li\n0.995785 0.863832 0.505291 Li\n0.163266 0.207680 0.624472 Cu\n0.336734 0.792320 0.124472 Cu\n0.663266 0.292320 0.375528 Cu\n0.836734 0.707680 0.875528 Cu\n0.192457 0.002642 0.322342 P\n0.170659 0.491105 0.189515 P\n0.226602 0.681732 0.886525 P\n0.273398 0.318268 0.386525 P\n0.329341 0.508895 0.689515 P\n0.307543 0.997358 0.822342 P\n0.692457 0.497358 0.677658 P\n0.670659 0.008895 0.810485 P\n0.726602 0.818268 0.113475 P\n0.773398 0.181732 0.613475 P\n0.829341 0.991105 0.310485 P\n0.807543 0.502642 0.177658 P\n0.991972 0.578211 0.189049 O\n0.060909 0.599226 0.893826 O\n0.152953 0.399607 0.301583 O\n0.200124 0.386433 0.708907 O\n0.192951 0.845398 0.832139 O\n0.235594 0.938206 0.213265 O\n0.200998 0.908060 0.422476 O\n0.184321 0.384232 0.096239 O\n0.165577 0.300131 0.485423 O\n0.334423 0.699869 0.985423 O\n0.315679 0.615768 0.596239 O\n0.299002 0.091940 0.922476 O\n0.264406 0.061794 0.713265 O\n0.307049 0.154602 0.332139 O\n0.299876 0.613567 0.208907 O\n0.347047 0.600393 0.801583 O\n0.439091 0.400774 0.393826 O\n0.508028 0.421789 0.689049 O\n0.491972 0.921789 0.810951 O\n0.560909 0.900774 0.106174 O\n0.652953 0.100393 0.698417 O\n0.700124 0.113567 0.291093 O\n0.692951 0.654602 0.167861 O\n0.735594 0.561794 0.786735 O\n0.700998 0.591940 0.577524 O\n0.684321 0.115768 0.903761 O\n0.665577 0.199869 0.514577 O\n0.834423 0.800131 0.014577 O\n0.815679 0.884232 0.403761 O\n0.799002 0.408060 0.077524 O\n0.764406 0.438206 0.286735 O\n0.807049 0.345398 0.667861 O\n0.799876 0.886433 0.791093 O\n0.847047 0.899607 0.198417 O\n0.939091 0.099226 0.606174 O\n0.008028 0.078211 0.310951 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Li",
"Cu",
"P",
"O"
],
"chemical_system": "Cu-Li-O-P",
"density": 2.3492844265385444,
"density_atomic": 0.0644327396115995,
"volume": 869.1233732659507,
"volume_molar": 9.346398735024243,
"formula_full": "Li4 Cu4 P12 O36",
"formula_reduced": "LiCu(PO3)3",
"formula_anonymous": "ABC3D9",
"energy": -398.27945432,
"energy_per_atom": -7.112133112857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -373.54745432,
"band_gap": 0.5284,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 4.0010978,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.604000Z",
"spacegroup": 19
},
{
"id": "mp-1096607",
"created_at": "2022-09-04T14:39:11.634538Z",
"structure_string": "Zn2 Cu1 Pd1\n1.0\n-4.764092 4.900938 6.916237\n4.764092 -4.900938 6.916237\n4.764092 4.900938 -6.916237\nZn Cu Pd\n2 1 1\ndirect\n0.000000 0.247263 0.247263 Zn\n0.000000 0.752737 0.752737 Zn\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Cu",
"Pd"
],
"chemical_system": "Cu-Pd-Zn",
"density": 0.7732405511453069,
"density_atomic": 0.0061925680115248495,
"volume": 645.9355783506438,
"volume_molar": 97.24787436798965,
"formula_full": "Zn2 Cu1 Pd1",
"formula_reduced": "Zn2CuPd",
"formula_anonymous": "ABC2",
"energy": -6.7472121,
"energy_per_atom": -1.686803025,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -6.7472121,
"band_gap": 0.1147999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0000413,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.174000Z",
"spacegroup": 71
},
{
"id": "mp-1196239",
"created_at": "2022-09-04T14:39:07.051346Z",
"structure_string": "Lu6 Fe12 O24\n1.0\n-2.994087 -5.201923 0.349770\n-2.994087 5.201923 0.349770\n0.015102 0.000000 -16.906500\nLu Fe O\n6 12 24\ndirect\n0.745173 0.745173 0.239199 Lu\n0.254827 0.254827 0.760801 Lu\n0.085889 0.416300 0.253082 Lu\n0.416300 0.085889 0.253082 Lu\n0.914111 0.583700 0.746918 Lu\n0.583700 0.914111 0.746918 Lu\n0.690700 0.026061 0.070860 Fe\n0.026061 0.690700 0.070860 Fe\n0.309300 0.973939 0.929140 Fe\n0.973939 0.309300 0.929140 Fe\n0.138634 0.138634 0.426146 Fe\n0.861366 0.861366 0.573854 Fe\n0.354324 0.354324 0.070586 Fe\n0.645676 0.645676 0.929414 Fe\n0.478760 0.808839 0.428205 Fe\n0.808839 0.478760 0.428205 Fe\n0.521240 0.191161 0.571795 Fe\n0.191161 0.521240 0.571795 Fe\n0.202578 0.202578 0.552635 O\n0.797422 0.797422 0.447365 O\n0.387511 0.387511 0.190759 O\n0.612489 0.612489 0.809241 O\n0.694607 0.694607 0.065190 O\n0.305393 0.305393 0.934810 O\n0.014694 0.353314 0.055420 O\n0.353314 0.014694 0.055420 O\n0.985306 0.646686 0.944580 O\n0.646686 0.985306 0.944580 O\n0.769868 0.446581 0.310944 O\n0.446581 0.769868 0.310944 O\n0.230132 0.553419 0.689056 O\n0.553419 0.230132 0.689056 O\n0.090295 0.090295 0.308343 O\n0.909705 0.909705 0.691657 O\n0.144699 0.496770 0.440240 O\n0.496770 0.144699 0.440240 O\n0.855301 0.503230 0.559760 O\n0.503230 0.855301 0.559760 O\n0.073846 0.728399 0.188983 O\n0.728399 0.073846 0.188983 O\n0.926154 0.271601 0.811017 O\n0.271601 0.926154 0.811017 O\n",
"nsites": 42,
"nelements": 3,
"elements": [
"Lu",
"Fe",
"O"
],
"chemical_system": "Fe-Lu-O",
"density": 6.6345759564968185,
"density_atomic": 0.07975952750860817,
"volume": 526.5828586492954,
"volume_molar": 7.550371658545811,
"formula_full": "Lu6 Fe12 O24",
"formula_reduced": "Lu(FeO2)2",
"formula_anonymous": "AB2C4",
"energy": -350.84359887,
"energy_per_atom": -8.353419020714286,
"energy_above_hull": null,
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"band_gap": 0.0,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:34:44.493000Z",
"spacegroup": 12
},
{
"id": "mp-849625",
"created_at": "2022-09-04T14:39:11.673189Z",
"structure_string": "Li10 Mn12 B12 O36\n1.0\n3.181608 8.318919 0.000000\n-3.181608 8.318919 0.000000\n0.000000 0.035799 14.283742\nLi Mn B O\n10 12 12 36\ndirect\n0.394938 0.394938 0.009192 Li\n0.420251 0.420251 0.640745 Li\n0.920612 0.920612 0.640324 Li\n0.933849 0.933849 0.350887 Li\n0.433892 0.433892 0.350128 Li\n0.644503 0.644503 0.508809 Li\n0.670248 0.670248 0.140899 Li\n0.170613 0.170613 0.140100 Li\n0.683473 0.683473 0.851284 Li\n0.184243 0.184243 0.849615 Li\n0.065412 0.560439 0.494283 Mn\n0.560439 0.065412 0.494283 Mn\n0.087795 0.591666 0.181868 Mn\n0.591666 0.087795 0.181868 Mn\n0.600326 0.094002 0.824634 Mn\n0.094002 0.600326 0.824634 Mn\n0.310817 0.815194 0.994261 Mn\n0.815194 0.310817 0.994261 Mn\n0.337750 0.842046 0.681825 Mn\n0.842046 0.337750 0.681825 Mn\n0.343901 0.850518 0.324609 Mn\n0.850518 0.343901 0.324609 Mn\n0.001536 0.494155 0.000220 B\n0.494155 0.001536 0.000220 B\n0.750199 0.750199 0.667404 B\n0.253396 0.253396 0.669395 B\n0.750419 0.750419 0.332939 B\n0.251163 0.251163 0.329972 B\n0.251917 0.743688 0.500141 B\n0.743688 0.251917 0.500141 B\n0.500779 0.500779 0.833177 B\n0.000742 0.000742 0.829785 B\n0.501286 0.501286 0.168657 B\n0.002109 0.002109 0.168083 B\n0.266140 0.266140 0.573977 O\n0.755846 0.755846 0.570099 O\n0.261960 0.261960 0.233014 O\n0.759852 0.759852 0.236380 O\n0.817749 0.817749 0.391412 O\n0.318306 0.318306 0.389231 O\n0.819033 0.819033 0.721608 O\n0.320163 0.320163 0.728164 O\n0.089608 0.554057 0.041562 O\n0.554057 0.089608 0.041562 O\n0.924507 0.924507 0.867052 O\n0.424614 0.424614 0.874132 O\n0.925597 0.925597 0.207368 O\n0.425711 0.425711 0.209590 O\n0.175213 0.680020 0.554708 O\n0.680020 0.175213 0.554708 O\n0.740465 0.241439 0.402256 O\n0.241439 0.740465 0.402256 O\n0.014606 0.014606 0.072748 O\n0.507232 0.507232 0.071238 O\n0.510016 0.510016 0.736785 O\n0.011809 0.011809 0.732672 O\n0.568194 0.568194 0.891834 O\n0.067911 0.067911 0.888879 O\n0.569998 0.569998 0.223519 O\n0.069065 0.069065 0.226203 O\n0.340132 0.803301 0.541543 O\n0.803301 0.340132 0.541543 O\n0.673934 0.673934 0.373193 O\n0.175154 0.175154 0.367820 O\n0.674749 0.674749 0.709186 O\n0.176733 0.176733 0.707843 O\n0.925204 0.430167 0.054875 O\n0.430167 0.925204 0.054875 O\n0.491076 0.990740 0.902381 O\n0.990740 0.491076 0.902381 O\n",
"nsites": 70,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.1501180820066486,
"density_atomic": 0.09257899917796175,
"volume": 756.1110038081224,
"volume_molar": 6.50486699302487,
"formula_full": "Li10 Mn12 B12 O36",
"formula_reduced": "Li5Mn6(BO3)6",
"formula_anonymous": "A5B6C6D18",
"energy": -560.5345877100001,
"energy_per_atom": -8.007636967285716,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -515.78658771,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 58.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.971000Z",
"spacegroup": 8
},
{
"id": "mp-1022926",
"created_at": "2022-09-04T14:40:11.731469Z",
"structure_string": "Mg12 Mn2 Sb2\n1.0\n5.064161 0.000000 0.000000\n0.000000 6.309322 0.000000\n0.000000 0.000000 10.785424\nMg Mn Sb\n12 2 2\ndirect\n0.000000 0.243753 0.081612 Mg\n0.000000 0.756247 0.081612 Mg\n0.000000 0.500000 0.833674 Mg\n0.500000 0.244569 0.914547 Mg\n0.500000 0.755431 0.914547 Mg\n0.500000 0.500000 0.667756 Mg\n0.000000 0.743753 0.581612 Mg\n0.000000 0.256247 0.581612 Mg\n0.000000 0.000000 0.333674 Mg\n0.500000 0.744569 0.414547 Mg\n0.500000 0.255431 0.414547 Mg\n0.500000 0.000000 0.167756 Mg\n0.000000 0.500000 0.334648 Mn\n0.000000 0.000000 0.834648 Mn\n0.500000 0.500000 0.171604 Sb\n0.500000 0.000000 0.671604 Sb\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"Sb"
],
"chemical_system": "Mg-Mn-Sb",
"density": 3.108273011612431,
"density_atomic": 0.046429345647527494,
"volume": 344.60963808246237,
"volume_molar": 12.970548423657782,
"formula_full": "Mg12 Mn2 Sb2",
"formula_reduced": "Mg6MnSb",
"formula_anonymous": "ABC6",
"energy": -45.54237919,
"energy_per_atom": -2.846398699375,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:50.413000Z",
"spacegroup": 38
},
{
"id": "mp-1188564",
"created_at": "2022-09-04T14:39:09.390310Z",
"structure_string": "Np8 C12\n1.0\n-4.013341 4.013341 4.013341\n4.013341 -4.013341 4.013341\n4.013341 4.013341 -4.013341\nNp C\n8 12\ndirect\n0.598626 0.500000 0.000000 Np\n0.500000 0.000000 0.598626 Np\n0.000000 0.598626 0.500000 Np\n0.901374 0.901374 0.901374 Np\n0.500000 0.000000 0.098626 Np\n0.098626 0.500000 0.000000 Np\n0.000000 0.098626 0.500000 Np\n0.401374 0.401374 0.401374 Np\n0.786587 0.250000 0.036587 C\n0.713413 0.750000 0.463413 C\n0.536587 0.750000 0.286587 C\n0.963413 0.250000 0.213413 C\n0.250000 0.036587 0.786587 C\n0.750000 0.463413 0.713413 C\n0.750000 0.286587 0.536587 C\n0.250000 0.213413 0.963413 C\n0.036587 0.786587 0.250000 C\n0.463413 0.713413 0.750000 C\n0.286587 0.536587 0.750000 C\n0.213413 0.963413 0.250000 C\n",
"nsites": 20,
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"elements": [
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"C"
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"density": 13.101723270903808,
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"volume": 258.5700246473343,
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"formula_full": "Np8 C12",
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"formula_anonymous": "A2B3",
"energy": -213.48133416,
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