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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=845",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=843",
"results": [
{
"id": "jvasp-10051",
"created_at": "2022-09-04T14:38:11.993013Z",
"updated_at": "2022-09-04T14:38:11.993024Z",
"structure_string": "Mg2 Mn4 O8\n1.0\n5.960968 -0.008541 -0.037031\n2.973087 5.166621 -0.037031\n2.947782 1.701904 4.813709\nMg Mn O\n2 4 8\ndirect\n0.125000 0.624999 0.625000 Mg\n0.625000 0.125000 0.625000 Mg\n0.991373 0.991372 0.008628 Mn\n0.258628 0.258627 0.241373 Mn\n0.625000 0.625000 0.125000 Mn\n0.625000 0.624999 0.625000 Mn\n0.397874 0.397873 0.366507 O\n0.399973 0.844055 0.377986 O\n0.397874 0.397873 0.837747 O\n0.844056 0.399972 0.377986 O\n0.405945 0.850027 0.872014 O\n0.850028 0.405944 0.872014 O\n0.852127 0.852126 0.412254 O\n0.852127 0.852126 0.883494 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 4.4134252942526695,
"density_atomic": 0.09387885173447867,
"volume": 149.12836854456594,
"volume_molar": 6.414800190603803,
"formula_full": "Mg2 Mn4 O8",
"formula_reduced": "MgMn2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.510508218965517,
"spacegroup": 74
},
{
"id": "jvasp-48912",
"created_at": "2022-09-04T14:35:51.875977Z",
"updated_at": "2022-09-04T14:35:51.875996Z",
"structure_string": "Mg11 Mn2 O13\n1.0\n0.000000 -2.134193 -2.134193\n-2.133465 12.843276 -14.977470\n4.266931 -0.000000 0.000000\nMg Mn O\n11 2 13\ndirect\n0.921789 0.156419 0.078209 Mg\n0.614770 0.770456 0.385229 Mg\n0.538807 0.922386 0.461193 Mg\n0.770515 0.458966 0.229483 Mg\n0.846152 0.307692 0.153846 Mg\n0.384150 0.231699 0.615849 Mg\n0.460284 0.079431 0.539715 Mg\n0.308156 0.383687 0.691843 Mg\n0.232023 0.535954 0.767977 Mg\n0.153499 0.693000 0.846501 Mg\n0.077534 0.844929 0.922465 Mg\n0.999633 0.000730 0.000365 Mn\n0.692671 0.614654 0.307328 Mn\n0.615657 0.768682 0.884342 O\n0.458643 0.082712 0.041356 O\n0.308377 0.383246 0.191622 O\n0.383929 0.232139 0.116070 O\n0.233663 0.532673 0.266337 O\n0.151651 0.696697 0.348349 O\n0.076647 0.846703 0.423353 O\n0.769986 0.460024 0.730013 O\n0.922319 0.155361 0.577679 O\n0.846152 0.307692 0.653846 O\n0.692768 0.614461 0.807231 O\n0.999537 0.000925 0.500461 O\n0.540654 0.918688 0.959346 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 3.8357705148762467,
"density_atomic": 0.10262549517847344,
"volume": 253.3483512531077,
"volume_molar": 5.868074740615912,
"formula_full": "Mg11 Mn2 O13",
"formula_reduced": "Mg11Mn2O13",
"formula_anonymous": "A2B11C13",
"energy_above_hull": 1.3933061358753316,
"spacegroup": 71
},
{
"id": "jvasp-91913",
"created_at": "2022-09-04T14:36:21.682869Z",
"updated_at": "2022-09-04T14:36:21.682888Z",
"structure_string": "Mg3 Mn1 O4\n1.0\n4.299160 0.000000 0.000000\n0.000000 4.299160 -0.000000\n-0.000000 0.000000 4.299160\nMg Mn O\n3 1 4\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 4.009235211957655,
"density_atomic": 0.10067906227660021,
"volume": 79.46041430164728,
"volume_molar": 5.981522497155463,
"formula_full": "Mg3 Mn1 O4",
"formula_reduced": "Mg3MnO4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.3293297989224135,
"spacegroup": 221
},
{
"id": "jvasp-46834",
"created_at": "2022-09-04T14:38:18.221548Z",
"updated_at": "2022-09-04T14:38:18.221563Z",
"structure_string": "Mg3 Mn4 O7\n1.0\n-3.079480 -0.000015 -0.000729\n-0.000066 -4.306985 -0.000100\n1.537126 2.153335 10.847669\nMg Mn O\n3 4 7\ndirect\n0.712556 0.716439 0.429219 Mg\n0.570919 0.574751 0.145808 Mg\n0.854096 0.858184 0.712631 Mg\n0.997980 0.001907 0.000108 Mn\n0.141339 0.145155 0.286646 Mn\n0.283746 0.287743 0.571793 Mn\n0.426972 0.431034 0.858332 Mn\n0.142812 0.646649 0.289628 O\n0.282262 0.786256 0.568810 O\n0.420417 0.924495 0.845256 O\n0.004567 0.508443 0.013184 O\n0.712559 0.216449 0.429219 O\n0.571164 0.074979 0.146282 O\n0.853850 0.357940 0.712157 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 4.670592426859537,
"density_atomic": 0.09730999127125861,
"volume": 143.87011875249266,
"volume_molar": 6.1886150448959025,
"formula_full": "Mg3 Mn4 O7",
"formula_reduced": "Mg3Mn4O7",
"formula_anonymous": "A3B4C7",
"energy_above_hull": 2.6162293296798027,
"spacegroup": 71
},
{
"id": "jvasp-11818",
"created_at": "2022-09-04T14:37:27.020958Z",
"updated_at": "2022-09-04T14:37:27.020980Z",
"structure_string": "Mg6 Mn1 O8\n1.0\n5.153003 0.000000 2.975087\n1.717668 4.858298 2.975087\n0.000000 0.000000 5.950176\nMg Mn O\n6 1 8\ndirect\n0.500000 -0.000000 0.000000 Mg\n0.500000 -0.000000 0.500001 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n-0.000000 -0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mn\n0.229110 0.770890 0.770890 O\n0.229110 0.770890 0.229111 O\n0.770889 0.229110 0.770891 O\n0.229110 0.229110 0.770890 O\n0.770889 0.770890 0.229111 O\n0.770889 0.229110 0.229111 O\n0.750000 0.750000 0.750001 O\n0.250000 0.250000 0.250000 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 3.6648651436210105,
"density_atomic": 0.10069708568972048,
"volume": 148.96160993397302,
"volume_molar": 5.9804518857239986,
"formula_full": "Mg6 Mn1 O8",
"formula_reduced": "Mg6MnO8",
"formula_anonymous": "AB6C8",
"energy_above_hull": 1.3376739694252873,
"spacegroup": 225
},
{
"id": "jvasp-46540",
"created_at": "2022-09-04T14:37:27.301382Z",
"updated_at": "2022-09-04T14:37:27.301403Z",
"structure_string": "Mg4 Mn6 O16\n1.0\n2.899860 5.694973 0.000000\n-2.899860 5.694973 0.000000\n0.000000 0.000000 8.341550\nMg Mn O\n4 6 16\ndirect\n0.143663 0.143663 0.607210 Mg\n0.356336 0.356336 0.107210 Mg\n0.643663 0.643663 0.892790 Mg\n0.856336 0.856336 0.392790 Mg\n0.870801 0.370801 0.250000 Mn\n0.500000 0.500000 0.500000 Mn\n0.629199 0.129199 0.750000 Mn\n0.129199 0.629199 0.750000 Mn\n0.370801 0.870801 0.250000 Mn\n0.000000 0.000000 0.000000 Mn\n-0.000380 -0.000380 0.235015 O\n0.883511 0.344982 0.025862 O\n0.655017 0.116489 0.974138 O\n0.500380 0.500380 0.735015 O\n0.725478 0.725478 0.238086 O\n0.499620 0.499620 0.264985 O\n0.774521 0.774521 0.738086 O\n0.116489 0.655017 0.974138 O\n0.274522 0.274522 0.761914 O\n0.000380 0.000380 0.764985 O\n0.344982 0.883511 0.025862 O\n0.616489 0.155017 0.525862 O\n0.383511 0.844982 0.474138 O\n0.155017 0.616489 0.525862 O\n0.225478 0.225478 0.261914 O\n0.844982 0.383511 0.474138 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 4.115491900979282,
"density_atomic": 0.09436868299439655,
"volume": 275.51513039070215,
"volume_molar": 6.381503448932932,
"formula_full": "Mg4 Mn6 O16",
"formula_reduced": "Mg2Mn3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.695245217241379,
"spacegroup": 64
},
{
"id": "jvasp-30635",
"created_at": "2022-09-04T14:37:27.490452Z",
"updated_at": "2022-09-04T14:37:27.490477Z",
"structure_string": "Mg2 Mn3 O8\n1.0\n4.635697 0.032605 -1.387365\n-0.838534 4.983718 -2.684730\n-0.011741 -0.139875 5.843021\nMg Mn O\n2 3 8\ndirect\n0.650239 0.722763 0.445525 Mg\n0.349762 0.277240 0.554477 Mg\n0.500001 1.000000 0.000001 Mn\n1.000000 0.739299 0.000002 Mn\n1.000000 0.260703 0.000002 Mn\n0.071627 0.392605 0.785209 O\n0.928375 0.607396 0.214793 O\n0.091095 0.894773 0.789542 O\n0.908907 0.105229 0.210459 O\n0.398670 0.340313 0.226844 O\n0.398671 0.886532 0.226844 O\n0.601332 0.113469 0.773158 O\n0.601333 0.659689 0.773158 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 4.257349371567534,
"density_atomic": 0.09762149043380476,
"volume": 133.16739933216905,
"volume_molar": 6.168867872472709,
"formula_full": "Mg2 Mn3 O8",
"formula_reduced": "Mg2Mn3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.6912729095490717,
"spacegroup": 12
},
{
"id": "jvasp-10332",
"created_at": "2022-09-04T14:37:20.190469Z",
"updated_at": "2022-09-04T14:37:20.190492Z",
"structure_string": "Mg2 Mn4 O10\n1.0\n3.654276 -0.000000 0.000000\n-1.827137 4.809533 -0.000000\n0.000000 -0.000000 11.258094\nMg Mn O\n2 4 10\ndirect\n0.911419 0.822836 0.750000 Mg\n0.088582 0.177165 0.250000 Mg\n0.224816 0.449633 0.597185 Mn\n0.775185 0.550367 0.402813 Mn\n0.775185 0.550367 0.097186 Mn\n0.224816 0.449633 0.902814 Mn\n0.691873 0.383746 0.250000 O\n0.308128 0.616254 0.750000 O\n0.227071 0.454140 0.079442 O\n0.772931 0.545860 0.920558 O\n0.772931 0.545860 0.579442 O\n0.227071 0.454140 0.420557 O\n0.053512 0.107022 0.623315 O\n0.946488 0.892977 0.376684 O\n0.053512 0.107022 0.876684 O\n0.946488 0.892977 0.123316 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 3.594885061626862,
"density_atomic": 0.08086318769438886,
"volume": 197.86506636950512,
"volume_molar": 7.447320507274387,
"formula_full": "Mg2 Mn4 O10",
"formula_reduced": "MgMn2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.628275129094827,
"spacegroup": 63
},
{
"id": "jvasp-9547",
"created_at": "2022-09-04T14:37:27.394443Z",
"updated_at": "2022-09-04T14:37:27.394462Z",
"structure_string": "Mg4 Mn4 O8\n1.0\n3.039295 0.263822 -0.271285\n-0.741973 7.409896 -1.083654\n-2.260007 -1.618437 7.667699\nMg Mn O\n4 4 8\ndirect\n0.562170 0.948350 0.800625 Mg\n0.429736 0.072867 0.168102 Mg\n0.185514 0.321335 0.923925 Mg\n0.806422 0.699872 0.044808 Mg\n0.680541 0.825301 0.418951 Mn\n-0.061308 0.573736 0.677094 Mn\n0.053262 0.447470 0.291634 Mn\n0.311357 0.195907 0.549772 Mn\n0.675913 0.315305 0.414290 O\n0.421090 0.573468 0.159482 O\n0.570865 0.447736 0.809247 O\n0.316004 0.705902 0.554440 O\n0.044675 0.947118 0.283075 O\n0.188569 0.828393 0.926982 O\n-0.052786 0.074089 0.685653 O\n-0.196642 0.192812 0.041741 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 4.4881317961417775,
"density_atomic": 0.09718703042056796,
"volume": 164.63102052569636,
"volume_molar": 6.1964448691762035,
"formula_full": "Mg4 Mn4 O8",
"formula_reduced": "MgMnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5130233228448275,
"spacegroup": 11
},
{
"id": "jvasp-10644",
"created_at": "2022-09-04T14:37:27.779675Z",
"updated_at": "2022-09-04T14:37:27.779712Z",
"structure_string": "Mg2 Mn4 O8\n1.0\n5.945106 -0.064733 -0.045774\n2.916492 5.051513 -0.000000\n2.916492 1.683838 4.762611\nMg Mn O\n2 4 8\ndirect\n0.993236 0.002255 0.002256 Mg\n0.123037 0.625654 0.625654 Mg\n0.252500 0.249167 0.249167 Mn\n0.626138 0.123277 0.625293 Mn\n0.626138 0.625293 0.123277 Mn\n0.626138 0.625293 0.625293 Mn\n0.402056 0.380211 0.380211 O\n0.402056 0.380211 0.837521 O\n0.402056 0.837521 0.380211 O\n0.843319 0.385561 0.385561 O\n0.406040 0.864653 0.864653 O\n0.849095 0.410884 0.870011 O\n0.849095 0.870011 0.410885 O\n0.849095 0.870011 0.870011 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 4.5586239215805255,
"density_atomic": 0.09696740076344094,
"volume": 144.37841882710688,
"volume_molar": 6.21047972059337,
"formula_full": "Mg2 Mn4 O8",
"formula_reduced": "MgMn2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.509058218965517,
"spacegroup": 160
},
{
"id": "jvasp-111546",
"created_at": "2022-09-04T14:38:41.070704Z",
"updated_at": "2022-09-04T14:38:41.070729Z",
"structure_string": "Mg2 Mn3 Ni1 S8\n1.0\n6.133347 0.032492 3.610878\n2.081096 5.769485 3.610722\n0.047385 0.033344 7.117139\nMg Mn Ni S\n2 3 1 8\ndirect\n0.876732 0.876719 0.876730 Mg\n0.123271 0.123278 0.123271 Mg\n0.500000 0.500001 -0.000000 Mn\n0.000001 0.499999 0.500000 Mn\n0.500001 -0.000001 0.500001 Mn\n0.500003 0.499997 0.500000 Ni\n0.737964 0.737975 0.737965 S\n0.263616 0.263634 0.704960 S\n0.263625 0.704963 0.263631 S\n0.704960 0.263631 0.263618 S\n0.736379 0.295034 0.736371 S\n0.295044 0.736366 0.736380 S\n0.262039 0.262023 0.262035 S\n0.736387 0.736363 0.295040 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Mg",
"Mn",
"Ni",
"S"
],
"chemical_system": "Mg-Mn-Ni-S",
"density": 3.5127240643133057,
"density_atomic": 0.05602282154085446,
"volume": 249.89815962394087,
"volume_molar": 10.749442092288005,
"formula_full": "Mg2 Mn3 Ni1 S8",
"formula_reduced": "Mg2Mn3NiS8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.345045873152709,
"spacegroup": 166
},
{
"id": "jvasp-8276",
"created_at": "2022-09-04T14:36:34.774940Z",
"updated_at": "2022-09-04T14:36:34.774955Z",
"structure_string": "Mg1 Mn2 N2\n1.0\n3.606809 0.000000 0.000000\n0.000000 3.606827 0.000000\n0.000000 0.000000 5.018045\nMg Mn N\n1 2 2\ndirect\n0.000000 0.000000 0.749998 Mg\n0.500000 0.500000 0.005983 Mn\n0.500000 0.500000 0.494018 Mn\n0.000000 0.500000 0.497021 N\n0.500000 0.000000 0.002979 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"N"
],
"chemical_system": "Mg-Mn-N",
"density": 4.125743133935216,
"density_atomic": 0.07659263240307233,
"volume": 65.2804302858696,
"volume_molar": 7.862558801097475,
"formula_full": "Mg1 Mn2 N2",
"formula_reduced": "Mg(MnN)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.815868006551723,
"spacegroup": 115
}
]
}