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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=1235",
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"results": [
{
"id": "jvasp-44754",
"created_at": "2022-09-04T14:38:07.730717Z",
"updated_at": "2022-09-04T14:38:07.730747Z",
"structure_string": "Li2 Mn2 Cu2 O8\n1.0\n5.717924 0.000306 0.000259\n-0.000620 5.837567 -0.001994\n-2.858778 -2.917500 4.173627\nLi Mn Cu O\n2 2 2 8\ndirect\n0.619882 0.869897 0.739766 Li\n0.380118 0.130106 0.260236 Li\n0.000000 0.500001 0.000001 Mn\n0.500000 0.500001 0.000001 Mn\n0.000000 0.500001 0.500001 Cu\n0.000000 0.000000 0.500000 Cu\n0.208256 0.726276 0.452557 O\n0.753257 0.284789 0.006530 O\n0.753299 0.721785 0.006582 O\n0.744297 0.726262 0.452556 O\n0.255703 0.273740 0.547446 O\n0.246744 0.715213 -0.006529 O\n0.246701 0.278218 0.993420 O\n0.791744 0.273726 0.547445 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Cu",
"O"
],
"chemical_system": "Cu-Li-Mn-O",
"density": 4.51665921761055,
"density_atomic": 0.10051580848721306,
"volume": 139.2815738211068,
"volume_molar": 5.991237448750258,
"formula_full": "Li2 Mn2 Cu2 O8",
"formula_reduced": "LiMnCuO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.087600241625616,
"spacegroup": 74
},
{
"id": "jvasp-45799",
"created_at": "2022-09-04T14:38:07.723094Z",
"updated_at": "2022-09-04T14:38:07.723104Z",
"structure_string": "Li4 Mn3 Fe2 O10\n1.0\n5.047435 0.015166 0.005048\n0.755249 4.925233 0.017227\n2.465704 2.101677 6.941813\nLi Mn Fe O\n4 3 2 10\ndirect\n0.495418 0.772890 0.432311 Li\n0.974558 0.494342 0.510620 Li\n0.496235 0.397231 0.217812 Li\n0.487899 0.201500 0.592244 Li\n0.504559 0.003176 0.000692 Mn\n0.004985 0.313889 0.895724 Mn\n0.006214 0.691539 0.108203 Mn\n-0.002454 0.899536 0.667365 Fe\n0.000736 0.105652 0.302666 Fe\n0.239070 0.147766 0.438442 O\n0.767155 0.215786 0.773697 O\n0.778602 0.450037 0.334599 O\n0.215512 0.534502 0.663437 O\n0.238455 0.968330 0.871711 O\n0.760698 0.876545 0.525269 O\n0.783216 0.641728 0.958846 O\n0.226392 0.354340 0.056910 O\n0.247618 0.777460 0.234061 O\n0.771859 0.049153 0.137351 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O",
"density": 4.475433907693381,
"density_atomic": 0.11030022215938114,
"volume": 172.25713265151418,
"volume_molar": 5.459772103902159,
"formula_full": "Li4 Mn3 Fe2 O10",
"formula_reduced": "Li4Mn3(FeO5)2",
"formula_anonymous": "A2B3C4D10",
"energy_above_hull": 2.9859783012704177,
"spacegroup": 1
},
{
"id": "jvasp-18375",
"created_at": "2022-09-04T14:38:07.719327Z",
"updated_at": "2022-09-04T14:38:07.719355Z",
"structure_string": "Ce2 H2 Se2\n1.0\n2.002592 -3.468591 -0.000000\n2.002592 3.468591 0.000000\n0.000000 0.000000 7.920276\nCe H Se\n2 2 2\ndirect\n0.666666 0.333332 0.750000 Ce\n0.333332 0.666666 0.250000 Ce\n0.666666 0.333332 0.250000 H\n0.333332 0.666666 0.750000 H\n0.000000 0.000000 0.000000 Se\n0.000000 0.000000 0.500000 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"H",
"Se"
],
"chemical_system": "Ce-H-Se",
"density": 6.642805921722223,
"density_atomic": 0.054529983854065774,
"volume": 110.03120807916099,
"volume_molar": 11.043723717425944,
"formula_full": "Ce2 H2 Se2",
"formula_reduced": "CeHSe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.3348496222222226,
"spacegroup": 194
},
{
"id": "jvasp-38412",
"created_at": "2022-09-04T14:38:07.707642Z",
"updated_at": "2022-09-04T14:38:07.707662Z",
"structure_string": "Pr2 B4 Os4\n1.0\n-3.311802 4.615338 0.000000\n-3.311802 -4.615338 0.000000\n3.311802 0.000000 5.057210\nPr B Os\n2 4 4\ndirect\n0.000000 0.000000 0.000000 Pr\n0.250000 0.750001 0.500000 Pr\n0.683786 0.316213 0.000000 B\n0.316213 0.683786 0.000000 B\n0.933784 0.066218 0.500000 B\n0.566218 0.433784 0.500000 B\n0.612996 0.112995 0.225992 Os\n0.637002 0.637002 0.274006 Os\n0.362998 0.362998 0.725995 Os\n0.887005 0.387005 0.774009 Os\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Pr",
"B",
"Os"
],
"chemical_system": "B-Os-Pr",
"density": 11.664383374115854,
"density_atomic": 0.064683146890373,
"volume": 154.5997756872947,
"volume_molar": 9.310216106533145,
"formula_full": "Pr2 B4 Os4",
"formula_reduced": "Pr(BOs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.719297003333333,
"spacegroup": 70
},
{
"id": "jvasp-46766",
"created_at": "2022-09-04T14:38:07.706079Z",
"updated_at": "2022-09-04T14:38:07.706108Z",
"structure_string": "Li4 Mn2 Si4 O12\n1.0\n-1.773814 1.582198 4.543495\n-7.532286 -0.360497 0.185043\n0.499184 -7.524367 -0.185044\nLi Mn Si O\n4 2 4 12\ndirect\n0.496756 0.795957 0.584946 Li\n0.250000 0.794785 0.794784 Li\n0.003246 0.584947 0.795958 Li\n0.750001 0.221340 0.221341 Li\n0.750001 0.960680 0.960680 Mn\n0.250000 0.184274 0.184274 Mn\n0.858210 0.777501 0.368567 Si\n0.353054 0.616120 0.198899 Si\n0.641791 0.368566 0.777501 Si\n0.146947 0.198899 0.616120 Si\n0.832807 0.217570 0.978015 O\n0.295112 0.363124 0.702477 O\n0.374194 0.400929 0.166419 O\n0.808319 0.276807 0.625440 O\n0.204889 0.702477 0.363124 O\n0.667194 0.978015 0.217570 O\n0.691682 0.625440 0.276807 O\n0.138648 0.752208 -0.003753 O\n0.878207 0.792528 0.585826 O\n0.125806 0.166419 0.400929 O\n0.621795 0.585825 0.792528 O\n0.361352 -0.003753 0.752207 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Si",
"O"
],
"chemical_system": "Li-Mn-O-Si",
"density": 2.8931244043107367,
"density_atomic": 0.08672475780453723,
"volume": 253.67611921827717,
"volume_molar": 6.943969533559119,
"formula_full": "Li4 Mn2 Si4 O12",
"formula_reduced": "Li2Mn(SiO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.6724923128526643,
"spacegroup": 5
},
{
"id": "jvasp-37072",
"created_at": "2022-09-04T14:38:07.704607Z",
"updated_at": "2022-09-04T14:38:07.704634Z",
"structure_string": "Na1 Tb1 Se2\n1.0\n-2.069950 -3.585258 -0.000000\n-4.139900 -0.000000 -0.000000\n-2.069950 -1.195086 -6.911921\nTb Na Se\n1 1 2\ndirect\n0.500001 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Na\n0.755543 0.755541 0.733375 Se\n0.244459 0.244458 0.266625 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tb",
"Na",
"Se"
],
"chemical_system": "Na-Se-Tb",
"density": 5.500577970579193,
"density_atomic": 0.038989795853721136,
"volume": 102.59094494895247,
"volume_molar": 15.44542777960007,
"formula_full": "Na1 Tb1 Se2",
"formula_reduced": "NaTbSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4272235333333334,
"spacegroup": 166
},
{
"id": "jvasp-33857",
"created_at": "2022-09-04T14:38:07.701437Z",
"updated_at": "2022-09-04T14:38:07.701472Z",
"structure_string": "Tm2 Mg6\n1.0\n6.598648 0.000000 0.000000\n-3.299325 5.714598 -0.000000\n0.000000 -0.000000 5.155757\nTm Mg\n2 6\ndirect\n0.666668 0.333332 0.250000 Tm\n0.333334 0.666667 0.750001 Tm\n0.164604 0.329206 0.250000 Mg\n0.164604 0.835398 0.250000 Mg\n0.670796 0.835398 0.250000 Mg\n0.329206 0.164603 0.750001 Mg\n0.835396 0.164603 0.750001 Mg\n0.835399 0.670796 0.750001 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tm",
"Mg"
],
"chemical_system": "Mg-Tm",
"density": 4.131337541078054,
"density_atomic": 0.04114877399523802,
"volume": 194.4164849462054,
"volume_molar": 14.635042980130875,
"formula_full": "Tm2 Mg6",
"formula_reduced": "TmMg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.2403125859374999,
"spacegroup": 194
},
{
"id": "jvasp-53171",
"created_at": "2022-09-04T14:38:07.697086Z",
"updated_at": "2022-09-04T14:38:07.697103Z",
"structure_string": "Rb2 H2 F4\n1.0\n4.955124 0.001966 -2.356281\n-2.975231 4.544181 -0.776998\n-0.000871 -0.001966 5.486830\nRb H F\n2 2 4\ndirect\n0.138743 0.388743 0.250000 Rb\n0.138742 0.888742 0.749999 Rb\n0.638780 0.638758 0.000023 H\n0.638735 0.138758 0.499977 H\n0.916804 0.277838 0.638966 F\n0.638871 0.777838 0.861034 F\n0.638673 0.499663 0.139010 F\n0.360652 -0.000338 0.360990 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"H",
"F"
],
"chemical_system": "F-H-Rb",
"density": 3.34592368996844,
"density_atomic": 0.0647520245160561,
"volume": 123.54826061100678,
"volume_molar": 9.300312700658083,
"formula_full": "Rb2 H2 F4",
"formula_reduced": "RbHF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.500000000016378e-06,
"spacegroup": 140
},
{
"id": "jvasp-30229",
"created_at": "2022-09-04T14:38:07.696004Z",
"updated_at": "2022-09-04T14:38:07.696018Z",
"structure_string": "Fe1 Co2 O6\n1.0\n5.490232 -2.786453 -0.050868\n0.000000 -1.471979 2.406583\n-3.064170 -3.864810 -2.363898\nFe Co O\n1 2 6\ndirect\n0.333333 0.333332 0.333333 Fe\n0.000291 -0.000145 -0.001070 Co\n0.666376 0.666810 0.667737 Co\n0.018756 0.490622 0.231635 O\n0.345726 0.827135 0.564251 O\n0.686150 0.156923 0.895492 O\n0.320941 0.839528 0.102416 O\n0.647910 0.176044 0.435033 O\n0.980516 0.509740 0.771176 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Fe",
"Co",
"O"
],
"chemical_system": "Co-Fe-O",
"density": 4.924482255784697,
"density_atomic": 0.09896018499219321,
"volume": 90.94566669120509,
"volume_molar": 6.085417848072006,
"formula_full": "Fe1 Co2 O6",
"formula_reduced": "Fe(CoO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.0943998111111117,
"spacegroup": 12
},
{
"id": "jvasp-44681",
"created_at": "2022-09-04T14:38:07.695894Z",
"updated_at": "2022-09-04T14:38:07.695920Z",
"structure_string": "Li1 Mn3 Cr1 O8\n1.0\n0.044835 4.102747 4.102747\n4.102747 0.044835 4.102747\n4.102747 4.102747 0.044835\nLi Mn Cr O\n1 3 1 8\ndirect\n0.876046 0.876046 0.876046 Li\n0.498956 0.003305 0.498956 Mn\n0.498956 0.498956 0.003305 Mn\n0.003305 0.498956 0.498956 Mn\n0.499197 0.499197 0.499197 Cr\n0.264196 0.264196 0.264196 O\n0.706527 0.260971 0.260971 O\n0.260971 0.706527 0.260971 O\n0.260971 0.260971 0.706527 O\n0.739671 0.289322 0.739671 O\n0.739671 0.739671 0.289322 O\n0.289322 0.739671 0.739671 O\n0.737213 0.737213 0.737213 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Li-Mn-O",
"density": 4.299344889932312,
"density_atomic": 0.09569006192053807,
"volume": 135.8552783756721,
"volume_molar": 6.293381610517551,
"formula_full": "Li1 Mn3 Cr1 O8",
"formula_reduced": "LiMn3CrO8",
"formula_anonymous": "ABC3D8",
"energy_above_hull": 3.391879009549071,
"spacegroup": 160
},
{
"id": "jvasp-45795",
"created_at": "2022-09-04T14:38:07.692112Z",
"updated_at": "2022-09-04T14:38:07.692132Z",
"structure_string": "Li3 Mn1 Fe3 O8\n1.0\n5.629781 -0.001021 -0.009302\n-2.813734 4.859440 -0.012111\n-2.806476 -1.628647 4.793410\nLi Mn Fe O\n3 1 3 8\ndirect\n0.999999 0.500000 0.500000 Li\n-0.000000 0.000000 0.500000 Li\n0.499999 -0.000000 0.500000 Li\n-0.000000 -0.000000 0.000000 Mn\n0.000001 0.500000 0.000000 Fe\n0.500001 0.500000 0.000001 Fe\n0.500000 -0.000001 0.000000 Fe\n0.015327 0.256025 0.774574 O\n0.520833 0.257099 0.784529 O\n0.519912 0.762670 0.781652 O\n0.024465 0.762672 0.781642 O\n0.975534 0.237327 0.218358 O\n0.480087 0.237329 0.218348 O\n0.479167 0.742900 0.215472 O\n0.984673 0.743975 0.225426 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
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"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O",
"density": 4.7121312638514175,
"density_atomic": 0.11464228476616703,
"volume": 130.84177474825384,
"volume_molar": 5.252983898814655,
"formula_full": "Li3 Mn1 Fe3 O8",
"formula_reduced": "Li3MnFe3O8",
"formula_anonymous": "AB3C3D8",
"energy_above_hull": 2.853972116091954,
"spacegroup": 12
},
{
"id": "jvasp-43060",
"created_at": "2022-09-04T14:38:07.689655Z",
"updated_at": "2022-09-04T14:38:07.689683Z",
"structure_string": "Na4 Co4 O6\n1.0\n0.000000 5.724506 0.007727\n5.587556 0.000000 0.000000\n0.000000 -2.837232 -5.384052\nNa Co O\n4 4 6\ndirect\n0.140885 0.346882 0.892862 Na\n0.140885 0.153119 0.392862 Na\n0.859116 0.846882 0.607137 Na\n0.859116 0.653119 0.107137 Na\n0.345199 0.628736 0.591824 Co\n0.654801 0.128735 0.908174 Co\n0.345199 0.871265 0.091825 Co\n0.654801 0.371265 0.408174 Co\n0.000000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.339766 0.925994 0.754508 O\n0.339766 0.574007 0.254509 O\n0.660234 0.425994 0.745490 O\n0.660234 0.074007 0.245491 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Na",
"Co",
"O"
],
"chemical_system": "Co-Na-O",
"density": 4.088230773893664,
"density_atomic": 0.08135193998025074,
"volume": 172.09177806206816,
"volume_molar": 7.402577936631817,
"formula_full": "Na4 Co4 O6",
"formula_reduced": "Na2Co2O3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 1.859448614285714,
"spacegroup": 14
}
]
}