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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=1274",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=1272",
"results": [
{
"id": "jvasp-102837",
"created_at": "2022-09-04T14:36:47.265792Z",
"updated_at": "2022-09-04T14:36:47.265815Z",
"structure_string": "Mn1 H2 O2\n1.0\n3.570629 -0.000000 0.000000\n-1.785314 3.092256 0.000000\n-0.000000 -0.000000 4.302061\nMn H O\n1 2 2\ndirect\n0.333334 0.666667 0.967822 Mn\n0.000000 0.000000 0.021256 H\n0.666667 0.333334 0.435149 H\n0.000000 0.000000 0.790264 O\n0.666667 0.333334 0.207983 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mn",
"H",
"O"
],
"chemical_system": "H-Mn-O",
"density": 3.1096507935311624,
"density_atomic": 0.10526240089644202,
"volume": 47.50034159793713,
"volume_molar": 5.721074865017215,
"formula_full": "Mn1 H2 O2",
"formula_reduced": "Mn(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.841630848275861,
"spacegroup": 156
},
{
"id": "jvasp-54781",
"created_at": "2022-09-04T14:36:42.852061Z",
"updated_at": "2022-09-04T14:36:42.852078Z",
"structure_string": "Mn4 H4 O8\n1.0\n2.932468 0.000000 0.000000\n-0.000000 4.576425 0.000000\n0.000000 0.000000 10.523034\nMn H O\n4 4 8\ndirect\n0.250000 0.554298 0.639951 Mn\n0.250000 0.945701 0.139951 Mn\n0.750000 0.445701 0.360049 Mn\n0.750000 0.054298 0.860049 Mn\n0.250000 0.902139 0.397703 H\n0.250000 0.597860 0.897703 H\n0.750000 0.097860 0.602297 H\n0.750000 0.402139 0.102297 H\n0.250000 0.198976 0.308849 O\n0.250000 0.301024 0.808849 O\n0.750000 0.801023 0.691150 O\n0.750000 0.698975 0.191151 O\n0.250000 0.695829 0.433626 O\n0.250000 0.804170 0.933626 O\n0.750000 0.304170 0.566374 O\n0.750000 0.195829 0.066374 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mn",
"H",
"O"
],
"chemical_system": "H-Mn-O",
"density": 4.136362342491076,
"density_atomic": 0.11329725244971771,
"volume": 141.22142994686422,
"volume_molar": 5.315345809178098,
"formula_full": "Mn4 H4 O8",
"formula_reduced": "MnHO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.534446060344828,
"spacegroup": 62
},
{
"id": "jvasp-112427",
"created_at": "2022-09-04T14:38:40.358853Z",
"updated_at": "2022-09-04T14:38:40.358873Z",
"structure_string": "Mn4 H4 O8\n1.0\n3.005389 0.000000 0.000000\n0.000000 4.546601 -0.000316\n-0.000000 0.000739 10.164506\nMn H O\n4 4 8\ndirect\n0.250000 0.945397 0.141029 Mn\n0.750000 0.054599 0.858972 Mn\n0.250000 0.554603 0.641031 Mn\n0.750000 0.445388 0.358965 Mn\n0.250000 0.905123 0.405570 H\n0.250000 0.594870 0.905574 H\n0.750000 0.094876 0.594434 H\n0.750000 0.405132 0.094429 H\n0.250000 0.200286 0.302749 O\n0.250000 0.299718 0.802754 O\n0.750000 0.799717 0.697250 O\n0.750000 0.700285 0.197244 O\n0.250000 0.698409 0.441498 O\n0.250000 0.801590 0.941501 O\n0.750000 0.301593 0.558502 O\n0.750000 0.198414 0.058498 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mn",
"H",
"O"
],
"chemical_system": "H-Mn-O",
"density": 4.205768519087558,
"density_atomic": 0.11519832601637378,
"volume": 138.89090712764204,
"volume_molar": 5.2276287062921725,
"formula_full": "Mn4 H4 O8",
"formula_reduced": "MnHO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.5330635603448277,
"spacegroup": 62
},
{
"id": "jvasp-29860",
"created_at": "2022-09-04T14:37:13.781057Z",
"updated_at": "2022-09-04T14:37:13.781085Z",
"structure_string": "Mn1 H2 O2\n1.0\n2.919263 -0.165672 -0.102919\n-1.603108 2.776665 0.000000\n-0.111463 -0.064354 4.583715\nMn H O\n1 2 2\ndirect\n-0.000000 0.067498 -0.000000 Mn\n0.625607 0.380144 0.558149 H\n0.374393 0.754536 0.441849 H\n0.674923 0.404932 0.772223 O\n0.325076 0.730007 0.227776 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mn",
"H",
"O"
],
"chemical_system": "H-Mn-O",
"density": 4.115056074804975,
"density_atomic": 0.13929560295276275,
"volume": 35.89488751985643,
"volume_molar": 4.323281304178855,
"formula_full": "Mn1 H2 O2",
"formula_reduced": "Mn(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.8558908482758616,
"spacegroup": 12
},
{
"id": "jvasp-29807",
"created_at": "2022-09-04T14:37:30.091048Z",
"updated_at": "2022-09-04T14:37:30.091068Z",
"structure_string": "Mn1 H2 O2\n1.0\n3.307536 0.000027 0.000331\n-1.653745 2.864370 0.000000\n0.000394 0.000227 4.069971\nMn H O\n1 2 2\ndirect\n0.000017 0.000010 0.968181 Mn\n0.666663 0.333331 0.035973 H\n0.333285 0.666644 0.436814 H\n0.666736 0.333369 0.786098 O\n0.333305 0.666653 0.195409 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mn",
"H",
"O"
],
"chemical_system": "H-Mn-O",
"density": 3.830727876370277,
"density_atomic": 0.12967102746278936,
"volume": 38.559114536474304,
"volume_molar": 4.644168306392208,
"formula_full": "Mn1 H2 O2",
"formula_reduced": "Mn(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.910976848275862,
"spacegroup": 156
},
{
"id": "jvasp-29808",
"created_at": "2022-09-04T14:37:32.319526Z",
"updated_at": "2022-09-04T14:37:32.319544Z",
"structure_string": "Mn1 H2 O2\n1.0\n2.993012 -0.133559 -0.070526\n-1.591811 2.773065 -0.001559\n-0.080288 -0.037791 4.490585\nMn H O\n1 2 2\ndirect\n0.012513 0.924770 0.977926 Mn\n0.649510 0.243544 0.533534 H\n0.375461 0.606023 0.422308 H\n0.685141 0.260856 0.751820 O\n0.339899 0.588694 0.204018 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mn",
"H",
"O"
],
"chemical_system": "H-Mn-O",
"density": 4.0695582652644955,
"density_atomic": 0.13775549154291486,
"volume": 36.29619366892792,
"volume_molar": 4.371615746530095,
"formula_full": "Mn1 H2 O2",
"formula_reduced": "Mn(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.849408848275861,
"spacegroup": 12
},
{
"id": "jvasp-111143",
"created_at": "2022-09-04T14:38:46.934752Z",
"updated_at": "2022-09-04T14:38:46.934786Z",
"structure_string": "Mn1 H2 O2\n1.0\n3.330078 -0.009640 0.060488\n-1.652964 2.882926 -0.211295\n-0.083577 0.287782 4.612328\nMn H O\n1 2 2\ndirect\n0.087723 0.012407 0.977932 Mn\n0.420960 0.679222 0.534584 H\n0.754547 0.346062 0.421255 H\n0.420868 0.678779 0.746002 O\n0.754542 0.346052 0.209837 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mn",
"H",
"O"
],
"chemical_system": "H-Mn-O",
"density": 3.3271890270047786,
"density_atomic": 0.11262612057513982,
"volume": 44.394674827356695,
"volume_molar": 5.347019616095415,
"formula_full": "Mn1 H2 O2",
"formula_reduced": "Mn(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.7968968482758614,
"spacegroup": 164
},
{
"id": "jvasp-54782",
"created_at": "2022-09-04T14:36:43.366109Z",
"updated_at": "2022-09-04T14:36:43.366129Z",
"structure_string": "Mn4 H4 O8\n1.0\n3.008021 -0.000000 0.000000\n-0.000000 4.554145 0.000000\n0.000000 0.000000 10.174767\nMn H O\n4 4 8\ndirect\n0.250000 0.554992 0.640831 Mn\n0.250000 0.945007 0.140831 Mn\n0.750000 0.445007 0.359170 Mn\n0.750000 0.054992 0.859170 Mn\n0.250000 0.905197 0.404929 H\n0.250000 0.594801 0.904929 H\n0.750000 0.094802 0.595072 H\n0.750000 0.405198 0.095072 H\n0.250000 0.199443 0.302952 O\n0.250000 0.300557 0.802952 O\n0.750000 0.800556 0.697048 O\n0.750000 0.699442 0.197048 O\n0.250000 0.698476 0.441194 O\n0.250000 0.801522 0.941194 O\n0.750000 0.301523 0.558807 O\n0.750000 0.198477 0.058807 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mn",
"H",
"O"
],
"chemical_system": "H-Mn-O",
"density": 4.1908970224915985,
"density_atomic": 0.11479098749894524,
"volume": 139.38376477636814,
"volume_molar": 5.246179069637618,
"formula_full": "Mn4 H4 O8",
"formula_reduced": "MnHO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.5347985603448278,
"spacegroup": 62
},
{
"id": "jvasp-79451",
"created_at": "2022-09-04T14:37:15.186511Z",
"updated_at": "2022-09-04T14:37:15.186532Z",
"structure_string": "Mn1 H1 O2\n1.0\n-0.700421 2.376961 -1.508519\n-2.131023 -2.381137 0.027000\n-0.712039 2.386217 4.092631\nMn H O\n1 1 2\ndirect\n0.075216 0.053229 0.019451 Mn\n0.581306 0.065530 0.554514 H\n0.651699 0.206370 0.782373 O\n0.487007 0.876673 0.228447 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"H",
"O"
],
"chemical_system": "H-Mn-O",
"density": 3.8649810508935705,
"density_atomic": 0.10586396876748205,
"volume": 37.78433820845633,
"volume_molar": 5.688565080369256,
"formula_full": "Mn1 H1 O2",
"formula_reduced": "MnHO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.541481060344827,
"spacegroup": 8
},
{
"id": "jvasp-54698",
"created_at": "2022-09-04T14:37:48.497841Z",
"updated_at": "2022-09-04T14:37:48.497851Z",
"structure_string": "Mn4 H2 O8\n1.0\n2.925216 0.000000 0.000000\n0.000000 4.641169 0.000000\n0.000000 0.000000 9.623033\nMn H O\n4 2 8\ndirect\n0.000000 0.212245 0.635749 Mn\n0.000000 0.787755 0.135749 Mn\n0.500001 0.292635 0.356787 Mn\n0.500001 0.707365 0.856787 Mn\n0.000000 0.707337 0.472582 H\n0.000000 0.292663 0.972582 H\n0.000000 0.494960 0.463699 O\n0.000000 0.505040 0.963698 O\n0.500001 0.048825 0.524253 O\n0.500001 0.951175 0.024253 O\n0.000000 0.906463 0.774180 O\n0.000000 0.093537 0.274180 O\n0.500001 0.593434 0.222570 O\n0.500001 0.406566 0.722569 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mn",
"H",
"O"
],
"chemical_system": "H-Mn-O",
"density": 4.445554998666441,
"density_atomic": 0.10715951456582298,
"volume": 130.64635517176094,
"volume_molar": 5.619791004466417,
"formula_full": "Mn4 H2 O8",
"formula_reduced": "Mn2HO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.140296926108374,
"spacegroup": 26
},
{
"id": "jvasp-32703",
"created_at": "2022-09-04T14:37:03.408599Z",
"updated_at": "2022-09-04T14:37:03.408609Z",
"structure_string": "Mn1 H10 S2 N4 O8\n1.0\n5.275259 0.012458 -1.356904\n-1.037394 5.705239 -0.268458\n-0.034000 -0.003009 7.386948\nMn H S N O\n1 10 2 4 8\ndirect\n0.000000 0.000000 0.000000 Mn\n0.780773 0.451799 0.826810 H\n0.560982 0.216287 0.710435 H\n0.219228 0.548202 0.173191 H\n0.902971 0.711605 0.277199 H\n0.871151 0.066252 0.613479 H\n0.097029 0.288396 0.722802 H\n0.712867 0.407343 0.586725 H\n0.287134 0.592658 0.413276 H\n0.439019 0.783714 0.289566 H\n0.128850 0.933748 0.386522 H\n0.639241 0.252329 0.221438 S\n0.360760 0.747672 0.778563 S\n0.069295 0.819251 0.266403 N\n0.265429 0.673092 0.286685 N\n0.930706 0.180749 0.733598 N\n0.734572 0.326908 0.713315 N\n0.694887 0.467223 0.353249 O\n0.833280 0.275323 0.108763 O\n0.375727 0.232404 0.093581 O\n0.660475 0.044386 0.329889 O\n0.339526 0.955614 0.670112 O\n0.624274 0.767597 0.906420 O\n0.166721 0.724678 0.891238 O\n0.305114 0.532777 0.646752 O\n",
"nsites": 25,
"nelements": 5,
"elements": [
"Mn",
"H",
"S",
"N",
"O"
],
"chemical_system": "H-Mn-N-O-S",
"density": 2.3409384563143583,
"density_atomic": 0.11253860429530375,
"volume": 222.1459929821011,
"volume_molar": 5.351177756032739,
"formula_full": "Mn1 H10 S2 N4 O8",
"formula_reduced": "MnH10S2(NO2)4",
"formula_anonymous": "AB2C4D8E10",
"energy_above_hull": 3.731837929655172,
"spacegroup": 2
},
{
"id": "jvasp-52438",
"created_at": "2022-09-04T14:37:27.240536Z",
"updated_at": "2022-09-04T14:37:27.240565Z",
"structure_string": "Mn2 P2 H12 N2 O10\n1.0\n4.848584 0.000000 0.000000\n0.000000 5.746654 0.000000\n0.000000 0.000000 8.901829\nMn P H N O\n2 2 12 2 10\ndirect\n0.530861 0.500000 0.025838 Mn\n0.030861 0.000000 0.974162 Mn\n0.092914 0.500000 0.800716 P\n0.592913 0.000000 0.199285 P\n0.580535 0.137195 0.803483 H\n0.580535 0.862804 0.803483 H\n0.080536 0.637195 0.196517 H\n0.137629 0.149145 0.591914 H\n0.137629 0.850854 0.591914 H\n0.080536 0.362805 0.196517 H\n0.637629 0.649145 0.408086 H\n0.964975 0.000000 0.456590 H\n0.464975 0.500000 0.543410 H\n0.324407 0.000000 0.461458 H\n0.824406 0.500000 0.538542 H\n0.637629 0.350854 0.408086 H\n0.641670 0.500000 0.473817 N\n0.141670 0.000000 0.526183 N\n0.738584 0.216357 0.126118 O\n0.738584 0.783643 0.126118 O\n0.238585 0.283643 0.873882 O\n0.238585 0.716356 0.873882 O\n0.783288 0.500000 0.833953 O\n0.141706 0.500000 0.628662 O\n0.283289 0.000000 0.166047 O\n0.202177 0.500000 0.209135 O\n0.641706 0.000000 0.371338 O\n0.702177 0.000000 0.790865 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Mn",
"P",
"H",
"N",
"O"
],
"chemical_system": "H-Mn-N-O-P",
"density": 2.489985162470236,
"density_atomic": 0.11288826813328168,
"volume": 248.03285995088316,
"volume_molar": 5.334602841891375,
"formula_full": "Mn2 P2 H12 N2 O10",
"formula_reduced": "MnPH6NO5",
"formula_anonymous": "ABCD5E6",
"energy_above_hull": 3.4279566779556654,
"spacegroup": 31
}
]
}