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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=10232",
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"results": [
{
"id": "mp-1233077",
"created_at": "2022-09-04T14:46:10.599485Z",
"structure_string": "Ca1 P4 Br12 O4\n1.0\n6.749480 0.783460 0.594442\n1.180795 11.810449 0.154594\n0.972056 0.129831 10.445445\nCa P Br O\n1 4 12 4\ndirect\n0.818908 0.426342 0.959311 Ca\n0.378678 0.294547 0.267781 P\n0.631009 0.695513 0.730263 P\n0.821973 0.161531 0.777825 P\n0.096945 0.823888 0.246849 P\n0.807212 0.636726 0.540983 Br\n0.856519 0.981183 0.267103 Br\n0.282278 0.838423 0.395103 Br\n0.652408 0.059684 0.915367 Br\n0.261197 0.353950 0.486633 Br\n0.866897 0.677071 0.861782 Br\n0.461305 0.557665 0.810701 Br\n0.681692 0.183153 0.606311 Br\n0.128628 0.056106 0.727256 Br\n0.232893 0.380901 0.947961 Br\n0.296993 0.846851 0.060572 Br\n0.622908 0.447753 0.214256 Br\n0.504672 0.813506 0.734066 O\n0.821434 0.275091 0.835273 O\n0.522858 0.180986 0.268778 O\n0.023428 0.715379 0.252222 O\n",
"nsites": 21,
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"elements": [
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"Br",
"O"
],
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"volume": 816.2380810528384,
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"formula_full": "Ca1 P4 Br12 O4",
"formula_reduced": "CaP4(Br3O)4",
"formula_anonymous": "AB4C4D12",
"energy": -92.04688797,
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"updated_at": "2021-11-28T01:37:26.599000Z",
"spacegroup": 1
},
{
"id": "mp-1216408",
"created_at": "2022-09-04T14:46:07.688034Z",
"structure_string": "Zr2 Ti3 Pb5 O15\n1.0\n3.114964 5.019009 0.000000\n-3.114964 5.019009 0.000000\n0.000000 4.651147 25.232244\nZr Ti Pb O\n2 3 5 15\ndirect\n0.939757 0.939757 0.584092 Zr\n0.337341 0.337341 0.377810 Zr\n0.732008 0.732008 0.176943 Ti\n0.130544 0.130544 0.981146 Ti\n0.535077 0.535077 0.784263 Ti\n0.242733 0.242733 0.536609 Pb\n0.640567 0.640567 0.329714 Pb\n0.042348 0.042348 0.135051 Pb\n0.442203 0.442203 0.938446 Pb\n0.844706 0.844706 0.743522 Pb\n0.919753 0.919753 0.659762 O\n0.321740 0.321740 0.453273 O\n0.724418 0.724418 0.246274 O\n0.120956 0.120956 0.050772 O\n0.520176 0.520176 0.854135 O\n0.717625 0.239104 0.758265 O\n0.123094 0.618660 0.555710 O\n0.520190 0.013530 0.350602 O\n0.913667 0.432448 0.152471 O\n0.312871 0.833384 0.955697 O\n0.239104 0.717625 0.758265 O\n0.618660 0.123094 0.555710 O\n0.013530 0.520190 0.350602 O\n0.432448 0.913667 0.152471 O\n0.833384 0.312871 0.955697 O\n",
"nsites": 25,
"nelements": 4,
"elements": [
"Zr",
"Ti",
"Pb",
"O"
],
"chemical_system": "O-Pb-Ti-Zr",
"density": 3.3718292613918277,
"density_atomic": 0.0316871464473509,
"volume": 788.9634379523009,
"volume_molar": 19.004995511369128,
"formula_full": "Zr2 Ti3 Pb5 O15",
"formula_reduced": "Zr2Ti3(PbO3)5",
"formula_anonymous": "A2B3C5D15",
"energy": -190.86368477,
"energy_per_atom": -7.6345473908,
"energy_above_hull": null,
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"energy_uncorrected": -180.55868477,
"band_gap": 2.6398,
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"is_magnetic": false,
"total_magnetization": 0.0016657,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:22.815000Z",
"spacegroup": 8
},
{
"id": "mp-22458",
"created_at": "2022-09-04T14:46:06.697676Z",
"structure_string": "Sr8 Mn4 Ge8 O28\n1.0\n8.393483 -0.000014 -0.000027\n-0.000014 8.393471 0.000038\n-0.000035 0.000049 10.777582\nSr Mn Ge O\n8 4 8 28\ndirect\n0.833055 0.333063 0.253067 Sr\n0.833053 0.333063 0.753067 Sr\n0.666946 0.833062 0.246937 Sr\n0.666949 0.833064 0.746937 Sr\n0.166946 0.666959 0.253067 Sr\n0.166947 0.666956 0.753067 Sr\n0.333054 0.166958 0.246936 Sr\n0.333053 0.166957 0.746937 Sr\n0.500085 0.499722 0.500133 Mn\n0.000184 0.000098 0.999864 Mn\n0.499925 0.499803 0.999861 Mn\n0.999770 0.999906 0.500061 Mn\n0.359110 0.859116 0.471710 Ge\n0.359109 0.859118 0.971721 Ge\n0.140895 0.359124 0.028289 Ge\n0.140891 0.359120 0.528285 Ge\n0.640896 0.140899 0.471714 Ge\n0.640890 0.140906 0.971720 Ge\n0.859107 0.640903 0.028290 Ge\n0.859113 0.640910 0.528286 Ge\n0.000003 0.500006 0.095176 O\n0.000000 0.500013 0.595179 O\n0.500007 0.000016 0.404827 O\n0.499998 0.000014 0.904828 O\n0.360947 0.860959 0.133272 O\n0.360948 0.860957 0.633273 O\n0.139050 0.360959 0.366731 O\n0.139052 0.360958 0.866728 O\n0.639056 0.139063 0.133274 O\n0.639053 0.139067 0.633275 O\n0.860949 0.639061 0.366732 O\n0.860950 0.639060 0.866726 O\n0.315772 0.418839 0.108509 O\n0.315772 0.418833 0.608518 O\n0.184225 0.918840 0.391495 O\n0.184228 0.918836 0.891486 O\n0.684222 0.581178 0.108506 O\n0.684228 0.581188 0.608517 O\n0.815771 0.081185 0.391494 O\n0.815771 0.081185 0.891488 O\n0.581179 0.315780 0.391486 O\n0.581171 0.315777 0.891492 O\n0.918828 0.815792 0.108512 O\n0.918828 0.815782 0.608511 O\n0.418832 0.684223 0.391493 O\n0.418828 0.684242 0.891495 O\n0.081177 0.184237 0.108517 O\n0.081172 0.184240 0.608511 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"Ge",
"O"
],
"chemical_system": "Ge-Mn-O-Sr",
"density": 4.264198803893687,
"density_atomic": 0.06321732167576787,
"volume": 759.2855680628923,
"volume_molar": 9.526092849815203,
"formula_full": "Sr8 Mn4 Ge8 O28",
"formula_reduced": "Sr2MnGe2O7",
"formula_anonymous": "AB2C2D7",
"energy": -351.69603376000003,
"energy_per_atom": -7.327000703333334,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -325.78803376,
"band_gap": 0.0023000000000004,
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"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:22.459000Z",
"spacegroup": 113
},
{
"id": "mp-1112933",
"created_at": "2022-09-04T14:46:09.391332Z",
"structure_string": "Cs2 Tl1 Ag1 I6\n1.0\n0.000000 6.071874 6.071874\n6.071874 0.000000 6.071874\n6.071874 6.071874 0.000000\nCs Tl Ag I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Ag\n0.744237 0.255763 0.255763 I\n0.255763 0.255763 0.744237 I\n0.255763 0.744237 0.744237 I\n0.255763 0.744237 0.255763 I\n0.744237 0.255763 0.744237 I\n0.744237 0.744237 0.255763 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Tl",
"Ag",
"I"
],
"chemical_system": "Ag-Cs-I-Tl",
"density": 4.968097079231728,
"density_atomic": 0.022335812337438206,
"volume": 447.71149797128646,
"volume_molar": 26.96181660653541,
"formula_full": "Cs2 Tl1 Ag1 I6",
"formula_reduced": "Cs2TlAgI6",
"formula_anonymous": "ABC2D6",
"energy": -26.27488811,
"energy_per_atom": -2.627488811,
"energy_above_hull": null,
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"energy_uncorrected": -24.00088811,
"band_gap": 0.0,
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"total_magnetization": 0.0010067,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.926000Z",
"spacegroup": 225
},
{
"id": "mp-664012",
"created_at": "2022-09-04T14:46:10.415193Z",
"structure_string": "Rb4 Ta2 Cu2 Se8\n1.0\n0.000000 7.147283 12.604893\n2.901212 0.000000 12.604893\n2.901212 7.147283 0.000000\nRb Ta Cu Se\n4 2 2 8\ndirect\n0.559686 0.546440 0.195894 Rb\n0.189643 0.203602 0.554414 Rb\n0.449944 0.440586 0.806218 Rb\n0.798230 0.806076 0.448919 Rb\n0.369390 0.382823 0.381361 Ta\n0.632020 0.620020 0.616014 Ta\n0.875078 0.878807 0.874555 Cu\n0.116650 0.132465 0.134203 Cu\n0.765376 0.091698 0.178063 Se\n0.470703 0.172131 0.087024 Se\n0.175564 0.464343 0.777355 Se\n0.086521 0.776228 0.461737 Se\n0.906449 0.231836 0.543745 Se\n0.832071 0.530754 0.226787 Se\n0.543083 0.817995 0.908377 Se\n0.219920 0.920918 0.830601 Se\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Rb",
"Ta",
"Cu",
"Se"
],
"chemical_system": "Cu-Rb-Se-Ta",
"density": 4.645868773783135,
"density_atomic": 0.03060767772545821,
"volume": 522.7446571907628,
"volume_molar": 19.675261919629502,
"formula_full": "Rb4 Ta2 Cu2 Se8",
"formula_reduced": "Rb2TaCuSe4",
"formula_anonymous": "ABC2D4",
"energy": -82.94726225,
"energy_per_atom": -5.184203890625,
"energy_above_hull": null,
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"energy_uncorrected": -79.17126225,
"band_gap": 1.9771,
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"total_magnetization": 0.0002605,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:22.062000Z",
"spacegroup": 1
},
{
"id": "mp-1204992",
"created_at": "2022-09-04T14:46:11.906474Z",
"structure_string": "Ce2 H32 N14 O38\n1.0\n4.436520 5.583876 0.000000\n-4.436520 5.583876 0.000000\n0.000000 3.669055 18.057629\nCe H N O\n2 32 14 38\ndirect\n0.987311 0.871730 0.424138 Ce\n0.871730 0.987311 0.924138 Ce\n0.350251 0.076816 0.395637 H\n0.076816 0.350251 0.895637 H\n0.176931 0.253897 0.383743 H\n0.253897 0.176931 0.883743 H\n0.779823 0.506706 0.450211 H\n0.506706 0.779823 0.950211 H\n0.611511 0.683975 0.468842 H\n0.683975 0.611511 0.968842 H\n0.831705 0.367245 0.258696 H\n0.367245 0.831705 0.758696 H\n0.853192 0.585748 0.255526 H\n0.585748 0.853192 0.755526 H\n0.459427 0.167915 0.216229 H\n0.167915 0.459427 0.716229 H\n0.280365 0.110846 0.267434 H\n0.110846 0.280365 0.767434 H\n0.869032 0.458328 0.687334 H\n0.458328 0.869032 0.187334 H\n0.648735 0.620763 0.686867 H\n0.620763 0.648735 0.186867 H\n0.702374 0.430666 0.636869 H\n0.430666 0.702374 0.136869 H\n0.818791 0.614000 0.611317 H\n0.614000 0.818791 0.111317 H\n0.271851 0.216803 0.645019 H\n0.216803 0.271851 0.145019 H\n0.398285 0.987050 0.644920 H\n0.987050 0.398285 0.144920 H\n0.213022 0.075910 0.590145 H\n0.075910 0.213022 0.090145 H\n0.427276 0.146860 0.568871 H\n0.146860 0.427276 0.068871 H\n0.758609 0.531589 0.655860 N\n0.531589 0.758609 0.155860 N\n0.328480 0.106048 0.611551 N\n0.106048 0.328480 0.111551 N\n0.251486 0.582846 0.326011 N\n0.582846 0.251486 0.826011 N\n0.268135 0.637444 0.535109 N\n0.637444 0.268135 0.035109 N\n0.851877 0.040364 0.576063 N\n0.040364 0.851877 0.076063 N\n0.629562 0.213540 0.429493 N\n0.213540 0.629562 0.929493 N\n0.848010 0.977304 0.266601 N\n0.977304 0.848010 0.766601 N\n0.219086 0.112726 0.380127 O\n0.112726 0.219086 0.880127 O\n0.753975 0.639539 0.463593 O\n0.639539 0.753975 0.963593 O\n0.262400 0.760733 0.322386 O\n0.760733 0.262400 0.822386 O\n0.128743 0.521742 0.378440 O\n0.521742 0.128743 0.878440 O\n0.351675 0.476009 0.281621 O\n0.476009 0.351675 0.781621 O\n0.333771 0.749837 0.480123 O\n0.749837 0.333771 0.980123 O\n0.092739 0.619989 0.536313 O\n0.619989 0.092739 0.036313 O\n0.368809 0.551467 0.584090 O\n0.551467 0.368809 0.084090 O\n0.024664 0.037736 0.543006 O\n0.037736 0.024664 0.043006 O\n0.751733 0.943641 0.550235 O\n0.943641 0.751733 0.050235 O\n0.783694 0.133325 0.629134 O\n0.133325 0.783694 0.129134 O\n0.800591 0.241770 0.431079 O\n0.241770 0.800591 0.931079 O\n0.618985 0.049656 0.411285 O\n0.049656 0.618985 0.911285 O\n0.482027 0.335473 0.446597 O\n0.335473 0.482027 0.946597 O\n0.916814 0.096836 0.294857 O\n0.096836 0.916814 0.794857 O\n0.859133 0.806918 0.302535 O\n0.806918 0.859133 0.802535 O\n0.772582 0.025609 0.208292 O\n0.025609 0.772582 0.708292 O\n0.824075 0.492731 0.226773 O\n0.492731 0.824075 0.726773 O\n0.344794 0.114618 0.215997 O\n0.114618 0.344794 0.715997 O\n",
"nsites": 86,
"nelements": 4,
"elements": [
"Ce",
"H",
"N",
"O"
],
"chemical_system": "Ce-H-N-O",
"density": 2.0723404132570935,
"density_atomic": 0.09612348775757958,
"volume": 894.682475701353,
"volume_molar": 6.265004423463753,
"formula_full": "Ce2 H32 N14 O38",
"formula_reduced": "CeH16N7O19",
"formula_anonymous": "AB7C16D19",
"energy": -520.8589455,
"energy_per_atom": -6.05649936627907,
"energy_above_hull": null,
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"energy_uncorrected": -494.7529455,
"band_gap": 0.2934000000000001,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:37:24.907000Z",
"spacegroup": 9
},
{
"id": "mp-1218887",
"created_at": "2022-09-04T14:46:11.770292Z",
"structure_string": "Sn1 Te1 Pb1 Se1\n1.0\n4.489664 0.000000 0.000000\n0.000000 4.489664 0.000000\n0.000000 0.000000 6.334665\nSn Te Pb Se\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Sn\n0.500000 0.500000 0.000000 Te\n0.000000 0.000000 0.000000 Pb\n0.000000 0.000000 0.500000 Se\n",
"nsites": 4,
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"elements": [
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"Te",
"Pb",
"Se"
],
"chemical_system": "Pb-Se-Sn-Te",
"density": 6.924571569908935,
"density_atomic": 0.03132626792953344,
"volume": 127.68836712364715,
"volume_molar": 19.223933005828986,
"formula_full": "Sn1 Te1 Pb1 Se1",
"formula_reduced": "SnTePbSe",
"formula_anonymous": "ABCD",
"energy": -16.74954421,
"energy_per_atom": -4.1873860525,
"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:25.255000Z",
"spacegroup": 123
},
{
"id": "mp-774106",
"created_at": "2022-09-04T14:46:10.467275Z",
"structure_string": "Li6 Fe4 Si4 O16\n1.0\n6.326927 0.000000 0.000000\n0.000000 5.068052 0.000000\n0.000000 0.008856 10.964948\nLi Fe Si O\n6 4 4 16\ndirect\n0.264364 0.237889 0.174050 Li\n0.735636 0.237889 0.674050 Li\n0.743025 0.740254 0.326235 Li\n0.995579 0.743502 0.093299 Li\n0.004421 0.743502 0.593299 Li\n0.256975 0.740254 0.826235 Li\n0.494240 0.740269 0.578043 Fe\n0.505760 0.740269 0.078043 Fe\n0.987450 0.237534 0.914029 Fe\n0.012550 0.237534 0.414029 Fe\n0.255920 0.737045 0.330927 Si\n0.744080 0.737045 0.830927 Si\n0.756382 0.234272 0.168824 Si\n0.243618 0.234272 0.668824 Si\n0.246889 0.846256 0.189621 O\n0.228684 0.412170 0.330960 O\n0.461152 0.356226 0.613735 O\n0.474391 0.814096 0.401412 O\n0.525609 0.814096 0.901412 O\n0.538848 0.356226 0.113735 O\n0.771316 0.412170 0.830960 O\n0.753111 0.846256 0.689621 O\n0.790367 0.346572 0.309548 O\n0.755948 0.911701 0.168326 O\n0.959048 0.856679 0.906073 O\n0.967934 0.336615 0.084587 O\n0.032066 0.336615 0.584587 O\n0.040952 0.856679 0.406073 O\n0.244052 0.911701 0.668326 O\n0.209633 0.346572 0.809548 O\n",
"nsites": 30,
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"elements": [
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"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 2.9912875953815345,
"density_atomic": 0.08532588322467073,
"volume": 351.59319618183497,
"volume_molar": 7.0578123922176825,
"formula_full": "Li6 Fe4 Si4 O16",
"formula_reduced": "Li3Fe2(SiO4)2",
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"energy": -221.18460555,
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"updated_at": "2021-11-28T01:37:20.513000Z",
"spacegroup": 7
},
{
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{
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