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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=3372",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=3370",
"results": [
{
"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-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-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-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-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-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-54765",
"created_at": "2022-09-04T14:36:54.277984Z",
"updated_at": "2022-09-04T14:36:54.278017Z",
"structure_string": "Mn2 H2 O4\n1.0\n2.976083 0.000000 0.000000\n0.000000 4.439740 0.000000\n0.000000 0.000000 5.082307\nMn H O\n2 2 4\ndirect\n0.499999 0.226977 0.511257 Mn\n0.000000 0.773023 0.011257 Mn\n0.499999 0.311099 0.029971 H\n0.000000 0.688901 0.529971 H\n0.499999 0.498111 0.148554 O\n0.499999 0.004592 0.864099 O\n0.000000 0.995408 0.364099 O\n0.000000 0.501889 0.648554 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mn",
"H",
"O"
],
"chemical_system": "H-Mn-O",
"density": 4.349363569785449,
"density_atomic": 0.11913147387973318,
"volume": 67.15269894231513,
"volume_molar": 5.0550375680565605,
"formula_full": "Mn2 H2 O4",
"formula_reduced": "MnHO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.5333060603448274,
"spacegroup": 31
},
{
"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-8641",
"created_at": "2022-09-04T14:36:46.458370Z",
"updated_at": "2022-09-04T14:36:46.458394Z",
"structure_string": "Mn1 H2 O2\n1.0\n1.665332 -2.884440 -0.000000\n1.665332 2.884440 0.000000\n-0.000000 0.000000 4.646198\nMn H O\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.666666 0.333332 0.442811 H\n0.333332 0.666666 0.557190 H\n0.333332 0.666666 0.767836 O\n0.666666 0.333332 0.232165 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mn",
"H",
"O"
],
"chemical_system": "H-Mn-O",
"density": 3.309164132234757,
"density_atomic": 0.11201597370484005,
"volume": 44.636490980964055,
"volume_molar": 5.37614463439672,
"formula_full": "Mn1 H2 O2",
"formula_reduced": "Mn(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.7980328482758616,
"spacegroup": 164
},
{
"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-30159",
"created_at": "2022-09-04T14:36:50.405576Z",
"updated_at": "2022-09-04T14:36:50.405608Z",
"structure_string": "Mn2 P4 H16 O20\n1.0\n5.273410 0.000000 -0.341566\n0.000000 10.255596 0.000000\n0.132836 0.000000 7.174987\nMn P H O\n2 4 16 20\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.255999 0.716237 0.161253 P\n0.755999 0.783763 0.661253 P\n0.744002 0.283763 0.838746 P\n0.244002 0.216237 0.338747 P\n0.152562 0.106234 0.599202 H\n0.847439 0.893766 0.400798 H\n0.347439 0.606235 0.900799 H\n0.173836 0.450529 0.779606 H\n0.673836 0.049471 0.279606 H\n0.826164 0.549471 0.220394 H\n0.326165 0.950529 0.720394 H\n0.652561 0.393766 0.099201 H\n0.116518 0.274090 0.989663 H\n0.383483 0.774090 0.510338 H\n0.883483 0.725910 0.010337 H\n0.059113 0.576314 0.677099 H\n0.559113 0.923687 0.177099 H\n0.940887 0.423687 0.322900 H\n0.440888 0.076313 0.822901 H\n0.616517 0.225910 0.489662 H\n0.529976 0.172962 0.382964 O\n0.426914 0.643022 0.021672 O\n0.926914 0.856979 0.521672 O\n0.274389 0.034113 0.780458 O\n0.073086 0.143022 0.478327 O\n0.029977 0.327038 0.882964 O\n0.774388 0.465887 0.280457 O\n0.573087 0.356979 0.978327 O\n0.470024 0.827039 0.617036 O\n0.834568 0.831362 0.856730 O\n0.165432 0.168638 0.143270 O\n0.665433 0.331362 0.643270 O\n0.334568 0.668639 0.356730 O\n0.226197 0.363863 0.363335 O\n0.726197 0.136138 0.863335 O\n0.773804 0.636138 0.636665 O\n0.273804 0.863863 0.136665 O\n0.725612 0.965887 0.219541 O\n0.970024 0.672962 0.117036 O\n0.225612 0.534114 0.719542 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Mn",
"P",
"H",
"O"
],
"chemical_system": "H-Mn-O-P",
"density": 2.435808729898229,
"density_atomic": 0.1081073574871004,
"volume": 388.502697469148,
"volume_molar": 5.570518880473584,
"formula_full": "Mn2 P4 H16 O20",
"formula_reduced": "MnP2(H4O5)2",
"formula_anonymous": "AB2C8D10",
"energy_above_hull": 3.240698249589491,
"spacegroup": 14
},
{
"id": "jvasp-12652",
"created_at": "2022-09-04T14:37:28.008154Z",
"updated_at": "2022-09-04T14:37:28.008165Z",
"structure_string": "Mn2 P2 H4 O10\n1.0\n4.958484 -0.062332 -1.310580\n-0.825851 4.889623 -1.310580\n0.012123 0.014160 7.405058\nMn P H O\n2 2 4 10\ndirect\n0.500000 0.000000 -0.000000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.577711 0.422288 0.750000 P\n0.422288 0.577712 0.250000 P\n0.887234 0.933090 0.297714 H\n0.933089 0.887234 0.797714 H\n0.112765 0.066910 0.702286 H\n0.066910 0.112766 0.202286 H\n0.270159 0.658143 0.404774 O\n0.658143 0.270159 0.904775 O\n0.729840 0.341856 0.595225 O\n0.340633 0.262445 0.154418 O\n0.262444 0.340633 0.654418 O\n0.659366 0.737555 0.845582 O\n0.098817 0.901183 0.750000 O\n0.901182 0.098817 0.250000 O\n0.341856 0.729841 0.095225 O\n0.737555 0.659367 0.345582 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Mn",
"P",
"H",
"O"
],
"chemical_system": "H-Mn-O-P",
"density": 3.109662434364359,
"density_atomic": 0.10036727007309065,
"volume": 179.34133295537305,
"volume_molar": 6.00010417301824,
"formula_full": "Mn2 P2 H4 O10",
"formula_reduced": "MnPH2O5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 3.014058915708812,
"spacegroup": 15
}
]
}