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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=3593",
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"results": [
{
"id": "jvasp-27065",
"created_at": "2022-09-04T14:37:58.706077Z",
"updated_at": "2022-09-04T14:37:58.706101Z",
"structure_string": "K6 Mn4 O16\n1.0\n0.000000 7.830516 0.017806\n5.735990 0.000000 0.000000\n0.000000 -3.607993 -9.012097\nK Mn O\n6 4 16\ndirect\n0.343063 0.250000 0.953479 K\n0.656938 0.750000 0.046521 K\n0.156930 0.250000 0.546524 K\n0.249918 0.750000 0.249917 K\n0.843070 0.750000 0.453476 K\n0.750082 0.250000 0.750083 K\n0.564773 0.250000 0.342612 Mn\n0.435228 0.750000 0.657388 Mn\n0.064834 0.750000 0.842582 Mn\n0.935167 0.250000 0.157418 Mn\n0.460273 0.517071 0.761318 O\n0.960234 0.482932 0.261349 O\n0.727295 0.250000 0.028445 O\n0.039767 0.982932 0.738651 O\n0.039767 0.517068 0.738651 O\n0.539727 0.017071 0.238682 O\n0.460273 0.982929 0.761318 O\n0.411277 0.250000 0.419315 O\n0.227379 0.750000 0.528390 O\n0.772622 0.250000 0.471610 O\n0.588724 0.750000 0.580685 O\n0.088617 0.250000 0.080665 O\n0.960234 0.017068 0.261349 O\n0.272706 0.750000 0.971555 O\n0.539727 0.482929 0.238682 O\n0.911384 0.750000 0.919335 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"K",
"Mn",
"O"
],
"chemical_system": "K-Mn-O",
"density": 2.916631971131825,
"density_atomic": 0.06429012504187004,
"volume": 404.41669670213054,
"volume_molar": 9.36713182013253,
"formula_full": "K6 Mn4 O16",
"formula_reduced": "K3Mn2O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.2203397294429705,
"spacegroup": 166
},
{
"id": "jvasp-48200",
"created_at": "2022-09-04T14:37:58.414192Z",
"updated_at": "2022-09-04T14:37:58.414211Z",
"structure_string": "K2 Mn4 O8\n1.0\n0.000000 2.914189 -0.085175\n12.489280 0.000000 0.000000\n0.000000 -0.143297 -4.902727\nK Mn O\n2 4 8\ndirect\n-0.000002 0.250000 0.325235 K\n0.000001 0.750000 0.674766 K\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500015 0.418490 0.164426 O\n0.500015 0.081510 0.164426 O\n-0.000013 0.580733 0.335763 O\n-0.000013 0.919267 0.335763 O\n0.499985 0.918490 0.835574 O\n0.499985 0.581510 0.835574 O\n0.000012 0.419267 0.664238 O\n0.000012 0.080733 0.664238 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"K",
"Mn",
"O"
],
"chemical_system": "K-Mn-O",
"density": 3.960389578773602,
"density_atomic": 0.07839066752974257,
"volume": 178.59268763961214,
"volume_molar": 7.682216454803261,
"formula_full": "K2 Mn4 O8",
"formula_reduced": "KMn2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.53073521182266,
"spacegroup": 51
},
{
"id": "jvasp-79450",
"created_at": "2022-09-04T14:37:17.331943Z",
"updated_at": "2022-09-04T14:37:17.331973Z",
"structure_string": "K1 Mn1 O2\n1.0\n2.826254 -0.001237 0.686312\n1.338913 -3.101024 0.643118\n2.819538 -0.016870 -5.448787\nK Mn O\n1 1 2\ndirect\n0.000003 0.499989 0.500002 K\n-0.000014 0.000024 0.000002 Mn\n0.497706 0.820594 0.183987 O\n0.502293 0.179405 0.816008 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Mn",
"O"
],
"chemical_system": "K-Mn-O",
"density": 3.893022173631691,
"density_atomic": 0.0744056826991013,
"volume": 53.75933470264783,
"volume_molar": 8.093657018582448,
"formula_full": "K1 Mn1 O2",
"formula_reduced": "KMnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5829330603448275,
"spacegroup": 12
},
{
"id": "jvasp-119094",
"created_at": "2022-09-04T14:38:50.905588Z",
"updated_at": "2022-09-04T14:38:50.905613Z",
"structure_string": "K2 Mn2 P6 O18\n1.0\n6.703271 0.000000 0.000000\n-3.351635 5.805203 0.000000\n-0.000000 -0.000000 9.993029\nK Mn P O\n2 2 6 18\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.666666 0.333333 -0.000000 Mn\n0.666666 0.333333 0.500000 Mn\n0.053950 0.436623 0.750000 P\n0.053950 0.617328 0.250000 P\n0.563376 0.617328 0.750000 P\n0.563376 0.946049 0.250000 P\n0.382671 0.436623 0.250000 P\n0.382671 0.946049 0.750000 P\n0.398092 0.066989 0.878920 O\n0.292054 0.861275 0.250000 O\n0.138724 0.707944 0.750000 O\n0.569219 0.707944 0.250000 O\n0.138724 0.430780 0.250000 O\n0.668897 0.601908 0.878920 O\n0.668897 0.601908 0.621080 O\n0.668897 0.066989 0.378920 O\n0.933011 0.331103 0.621080 O\n0.398092 0.066989 0.621080 O\n0.398091 0.331103 0.378920 O\n0.668897 0.066989 0.121080 O\n0.569219 0.861275 0.750000 O\n0.933010 0.601908 0.378920 O\n0.398091 0.331103 0.121080 O\n0.933010 0.601908 0.121080 O\n0.933011 0.331103 0.878920 O\n0.292055 0.430780 0.750000 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"K",
"Mn",
"P",
"O"
],
"chemical_system": "K-Mn-O-P",
"density": 2.826461472864551,
"density_atomic": 0.0720040119248063,
"volume": 388.86722074931555,
"volume_molar": 8.363618358222753,
"formula_full": "K2 Mn2 P6 O18",
"formula_reduced": "KMn(PO3)3",
"formula_anonymous": "ABC3D9",
"energy_above_hull": 2.837853802955665,
"spacegroup": 188
},
{
"id": "jvasp-98090",
"created_at": "2022-09-04T14:35:45.029467Z",
"updated_at": "2022-09-04T14:35:45.029491Z",
"structure_string": "K8 Mn4 P8 O28\n1.0\n5.510790 0.000000 0.000000\n0.000000 9.296747 -2.355718\n0.000000 0.016487 12.576410\nK Mn P O\n8 4 8 28\ndirect\n0.739058 0.371039 0.854266 K\n0.760942 0.871039 0.354266 K\n0.279196 0.358335 0.320522 K\n0.260942 0.628961 0.145734 K\n0.720804 0.641665 0.679478 K\n0.239058 0.128961 0.645734 K\n0.220804 0.858336 0.820522 K\n0.779196 0.141665 0.179478 K\n0.759990 0.747942 0.981749 Mn\n0.259990 0.752059 0.518251 Mn\n0.740010 0.247941 0.481749 Mn\n0.240010 0.252059 0.018251 Mn\n0.254478 0.033776 0.362843 P\n0.282324 0.943629 0.119522 P\n0.717676 0.056372 0.880477 P\n0.217676 0.443629 0.619523 P\n0.782324 0.556372 0.380477 P\n0.754478 0.466224 0.137157 P\n0.745522 0.966225 0.637157 P\n0.245522 0.533776 0.862843 P\n0.694459 0.575666 0.258593 O\n0.194459 0.924335 0.241407 O\n0.736209 0.070575 0.563136 O\n0.462424 0.635826 0.883036 O\n0.236209 0.429426 0.936864 O\n0.263791 0.929426 0.436864 O\n0.305541 0.424335 0.741407 O\n0.401644 0.351207 0.543347 O\n0.540351 0.880897 0.107304 O\n0.598356 0.648794 0.456652 O\n0.459648 0.119104 0.892696 O\n0.003229 0.607334 0.852865 O\n0.772288 0.395469 0.374192 O\n0.959648 0.380897 0.607304 O\n0.227712 0.604531 0.625808 O\n0.098356 0.851207 0.043347 O\n0.805541 0.075666 0.758593 O\n-0.003229 0.392667 0.147135 O\n0.727712 0.895470 0.874192 O\n0.763791 0.570575 0.063136 O\n0.272288 0.104531 0.125808 O\n0.040351 0.619104 0.392696 O\n0.537576 0.364174 0.116964 O\n0.037576 0.135826 0.383036 O\n0.503229 0.892667 0.647135 O\n0.962424 0.864175 0.616964 O\n0.496771 0.107333 0.352865 O\n0.901644 0.148794 0.956653 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"K",
"Mn",
"P",
"O"
],
"chemical_system": "K-Mn-O-P",
"density": 3.1645498831601686,
"density_atomic": 0.07447241457436332,
"volume": 644.5339562888795,
"volume_molar": 8.086404602856916,
"formula_full": "K8 Mn4 P8 O28",
"formula_reduced": "K2MnP2O7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 2.372444061781609,
"spacegroup": 14
},
{
"id": "jvasp-98002",
"created_at": "2022-09-04T14:36:03.672632Z",
"updated_at": "2022-09-04T14:36:03.672658Z",
"structure_string": "K2 Mn12 P14 O48\n1.0\n5.380311 0.005261 0.000000\n-1.948399 6.283785 0.000000\n0.000000 0.000000 26.737467\nK Mn P O\n2 12 14 48\ndirect\n0.780765 0.376445 0.750000 K\n0.219235 0.623555 0.250000 K\n0.622870 0.278037 0.316655 Mn\n0.687627 0.684858 0.044670 Mn\n0.312373 0.315143 0.544670 Mn\n0.312373 0.315143 0.955331 Mn\n0.687627 0.684858 0.455331 Mn\n0.377130 0.721964 0.816655 Mn\n0.708679 0.086189 0.598061 Mn\n0.708679 0.086189 0.901939 Mn\n0.291321 0.913812 0.401939 Mn\n0.622870 0.278037 0.183345 Mn\n0.377130 0.721964 0.683346 Mn\n0.291321 0.913812 0.098061 Mn\n0.752067 0.806059 0.167840 P\n0.247933 0.193942 0.667840 P\n0.247933 0.193942 0.832160 P\n0.752067 0.806059 0.332160 P\n0.044816 0.092470 0.250000 P\n0.789977 0.204589 0.024437 P\n0.955184 0.907531 0.750000 P\n0.210022 0.795411 0.975563 P\n0.789977 0.204589 0.475563 P\n0.185769 0.383507 0.110068 P\n0.814231 0.616493 0.610068 P\n0.814231 0.616493 0.889932 P\n0.185769 0.383507 0.389932 P\n0.210022 0.795411 0.524437 P\n0.361272 0.606107 0.095925 O\n0.046280 0.292343 0.441928 O\n0.953720 0.707657 0.941928 O\n0.953720 0.707657 0.558072 O\n0.638728 0.393894 0.595926 O\n0.627562 0.995074 0.451958 O\n0.372438 0.004927 0.548042 O\n0.330108 0.217789 0.250000 O\n0.046280 0.292343 0.058072 O\n0.372438 0.004927 0.951958 O\n0.891503 0.794523 0.118562 O\n0.349423 0.232582 0.122524 O\n0.003082 0.937188 0.296865 O\n-0.003082 0.062812 0.796865 O\n-0.003082 0.062812 0.703136 O\n0.003082 0.937188 0.203136 O\n0.635873 0.596341 0.305440 O\n0.364127 0.403660 0.805440 O\n0.364127 0.403660 0.694560 O\n0.635873 0.596341 0.194560 O\n0.565143 0.943169 0.333760 O\n0.434857 0.056832 0.833760 O\n0.434857 0.056832 0.666241 O\n0.565143 0.943169 0.166241 O\n0.891503 0.794523 0.381438 O\n0.108497 0.205477 0.881438 O\n0.108497 0.205477 0.618562 O\n0.151536 0.782674 0.750000 O\n0.361272 0.606107 0.404075 O\n0.848464 0.217327 0.250000 O\n0.669892 0.782212 0.750000 O\n0.650576 0.767419 0.622524 O\n0.650576 0.767419 0.877477 O\n0.349423 0.232582 0.377476 O\n0.989719 0.386079 0.150150 O\n0.010281 0.613921 0.650150 O\n0.010281 0.613921 0.849850 O\n0.989719 0.386079 0.349850 O\n0.640373 0.369786 0.478157 O\n0.359627 0.630214 0.978157 O\n0.359627 0.630214 0.521843 O\n0.640373 0.369786 0.021843 O\n0.910816 0.173879 0.526083 O\n0.089184 0.826122 0.026083 O\n0.089184 0.826122 0.473917 O\n0.910816 0.173879 0.973918 O\n0.627562 0.995074 0.048042 O\n0.638728 0.393894 0.904075 O\n",
"nsites": 76,
"nelements": 4,
"elements": [
"K",
"Mn",
"P",
"O"
],
"chemical_system": "K-Mn-O-P",
"density": 3.5608941280948505,
"density_atomic": 0.08404908286984228,
"volume": 904.2335431273292,
"volume_molar": 7.16502852187672,
"formula_full": "K2 Mn12 P14 O48",
"formula_reduced": "KMn6P7O24",
"formula_anonymous": "AB6C7D24",
"energy_above_hull": 3.462903524954628,
"spacegroup": 11
},
{
"id": "jvasp-113187",
"created_at": "2022-09-04T14:38:47.205440Z",
"updated_at": "2022-09-04T14:38:47.205461Z",
"structure_string": "K2 Mn2 Se4 O16\n1.0\n5.573246 -0.010728 0.195343\n0.271434 7.767075 0.996730\n-0.015183 0.077099 8.114460\nK Mn Se O\n2 2 4 16\ndirect\n-0.000000 0.500000 0.000000 K\n0.500000 0.500000 0.500000 K\n0.500001 -0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.006137 0.207727 0.617040 Se\n0.506138 0.207726 0.117040 Se\n0.993863 0.792273 0.382959 Se\n0.493863 0.792273 0.882960 Se\n0.275313 0.193449 -0.006567 O\n0.775314 0.193448 0.493433 O\n0.493594 0.604405 0.814219 O\n0.993594 0.604405 0.314219 O\n0.506406 0.395594 0.185781 O\n0.006406 0.395594 0.685781 O\n0.502699 0.028559 0.262442 O\n0.233863 0.810410 0.000498 O\n0.497302 0.971440 0.737557 O\n0.997302 0.971440 0.237557 O\n0.224687 0.806551 0.506567 O\n0.733864 0.810409 0.500497 O\n0.766137 0.189590 -0.000498 O\n0.266137 0.189590 0.499502 O\n0.002699 0.028559 0.762443 O\n0.724687 0.806551 0.006567 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Mn",
"Se",
"O"
],
"chemical_system": "K-Mn-O-Se",
"density": 3.596241139060257,
"density_atomic": 0.0683994703181675,
"volume": 350.8799101566345,
"volume_molar": 8.804367536747527,
"formula_full": "K2 Mn2 Se4 O16",
"formula_reduced": "KMn(SeO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.487081664559387,
"spacegroup": 2
},
{
"id": "jvasp-11788",
"created_at": "2022-09-04T14:37:15.710020Z",
"updated_at": "2022-09-04T14:37:15.710055Z",
"structure_string": "K2 Mn1 Se2 O6\n1.0\n5.150449 -0.018690 4.734460\n2.067188 4.717437 4.734460\n-0.028709 -0.018690 6.995813\nK Mn Se O\n2 1 2 6\ndirect\n0.195072 0.195072 0.195071 K\n0.804929 0.804929 0.804928 K\n0.000000 0.000000 0.000000 Mn\n0.628456 0.628456 0.628455 Se\n0.371544 0.371544 0.371544 Se\n0.249660 0.249660 0.731301 O\n0.249660 0.731302 0.249659 O\n0.731302 0.249660 0.249660 O\n0.268699 0.750340 0.750339 O\n0.750340 0.750340 0.268698 O\n0.750340 0.268699 0.750340 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
"K",
"Mn",
"Se",
"O"
],
"chemical_system": "K-Mn-O-Se",
"density": 3.754966219771505,
"density_atomic": 0.06426601598648575,
"volume": 171.16355870438815,
"volume_molar": 9.370645850003172,
"formula_full": "K2 Mn1 Se2 O6",
"formula_reduced": "K2Mn(SeO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.03028008861024,
"spacegroup": 166
},
{
"id": "jvasp-57343",
"created_at": "2022-09-04T14:38:17.012576Z",
"updated_at": "2022-09-04T14:38:17.012611Z",
"structure_string": "K1 Mn1 Se2 O8\n1.0\n4.855671 -0.050757 0.034287\n1.860950 4.653844 0.024769\n0.654799 0.783744 7.807023\nK Mn Se O\n1 1 2 8\ndirect\n0.000000 -0.000000 0.500000 K\n0.000000 0.000000 0.000000 Mn\n0.612103 0.624365 0.207199 Se\n0.387898 0.375633 0.792801 Se\n0.236587 0.768110 0.188592 O\n0.239459 0.234460 0.969099 O\n0.680823 0.692108 0.393886 O\n0.718830 0.272124 0.192248 O\n0.760542 0.765537 0.030901 O\n0.319178 0.307890 0.606114 O\n0.281171 0.727873 0.807752 O\n0.763414 0.231888 0.811408 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "K-Mn-O-Se",
"density": 3.5643967291428695,
"density_atomic": 0.06779379881653036,
"volume": 177.00734004411632,
"volume_molar": 8.883025977490442,
"formula_full": "K1 Mn1 Se2 O8",
"formula_reduced": "KMn(SeO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.4880816645593877,
"spacegroup": 2
},
{
"id": "jvasp-5011",
"created_at": "2022-09-04T14:37:57.917639Z",
"updated_at": "2022-09-04T14:37:57.917664Z",
"structure_string": "K2 Mn2 P2\n1.0\n3.786204 0.000000 0.000000\n0.000000 3.786204 0.000000\n0.000000 0.000000 10.468474\nK Mn P\n2 2 2\ndirect\n0.000000 0.500000 0.299175 K\n0.500000 0.000000 0.700824 K\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.877248 P\n0.500000 0.000000 0.122752 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Mn",
"P"
],
"chemical_system": "K-Mn-P",
"density": 2.7665136753523836,
"density_atomic": 0.039981570705785695,
"volume": 150.06914170912614,
"volume_molar": 15.062291585079079,
"formula_full": "K2 Mn2 P2",
"formula_reduced": "KMnP",
"formula_anonymous": "ABC",
"energy_above_hull": 1.70741358045977,
"spacegroup": 129
},
{
"id": "jvasp-93960",
"created_at": "2022-09-04T14:36:32.127631Z",
"updated_at": "2022-09-04T14:36:32.127658Z",
"structure_string": "K2 Mn2 P2\n1.0\n3.785964 0.000000 -0.000000\n0.000000 3.785964 0.000000\n0.000000 0.000000 10.467552\nK Mn P\n2 2 2\ndirect\n0.000000 0.499999 0.700767 K\n0.499999 0.000000 0.299233 K\n0.499999 0.499999 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.499999 0.122790 P\n0.499999 0.000000 0.877210 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
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],
"chemical_system": "K-Mn-P",
"density": 2.767108146570889,
"density_atomic": 0.039990161985585616,
"volume": 150.03690163002315,
"volume_molar": 15.059055680171213,
"formula_full": "K2 Mn2 P2",
"formula_reduced": "KMnP",
"formula_anonymous": "ABC",
"energy_above_hull": 1.707396913793103,
"spacegroup": 129
},
{
"id": "jvasp-99089",
"created_at": "2022-09-04T14:36:12.676182Z",
"updated_at": "2022-09-04T14:36:12.676212Z",
"structure_string": "K4 Mn2 P4 S12\n1.0\n6.186849 -0.040605 0.000000\n-1.527301 7.119927 0.000000\n0.000000 0.000000 12.142968\nK Mn P S\n4 2 4 12\ndirect\n0.778698 0.466923 0.688834 K\n0.721303 0.033078 0.188834 K\n0.221303 0.533078 0.311166 K\n0.278698 0.966923 0.811166 K\n0.500000 0.500001 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.484963 0.138683 0.463999 P\n0.015037 0.361318 0.963999 P\n0.515038 0.861318 0.536002 P\n0.984963 0.638684 0.036001 P\n0.784049 0.572353 0.170038 S\n0.715952 0.927649 0.670038 S\n0.179483 0.242047 0.079987 S\n0.320518 0.257953 0.579987 S\n0.820518 0.757954 0.920014 S\n0.806835 0.265304 0.436370 S\n0.306835 0.765304 0.063630 S\n0.193166 0.734697 0.563630 S\n0.693166 0.234697 0.936370 S\n0.284049 0.072352 0.329962 S\n0.679483 0.742048 0.420014 S\n0.215951 0.427648 0.829962 S\n",
"nsites": 22,
"nelements": 4,
"elements": [
"K",
"Mn",
"P",
"S"
],
"chemical_system": "K-Mn-P-S",
"density": 2.4091373191104775,
"density_atomic": 0.04118742385327977,
"volume": 534.1436278794633,
"volume_molar": 14.621309605214494,
"formula_full": "K4 Mn2 P4 S12",
"formula_reduced": "K2Mn(PS3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.0985894764890283,
"spacegroup": 14
}
]
}