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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4507",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4505",
"results": [
{
"id": "jvasp-52417",
"created_at": "2022-09-04T14:37:42.822341Z",
"updated_at": "2022-09-04T14:37:42.822365Z",
"structure_string": "Ca2 H8 Se4 O14\n1.0\n6.723858 0.011484 -0.005573\n0.204415 6.953887 0.012474\n0.120087 2.325319 7.009852\nCa H Se O\n2 8 4 14\ndirect\n0.120561 0.771992 0.925098 Ca\n0.879441 0.228008 0.074901 Ca\n0.531278 0.761855 0.725691 H\n0.468724 0.238146 0.274309 H\n0.010890 0.539381 0.658865 H\n0.989111 0.460619 0.341135 H\n0.706490 0.790844 0.478039 H\n0.293511 0.209156 0.521961 H\n0.668628 0.567405 0.611310 H\n0.331373 0.432595 0.388690 H\n0.141104 0.819884 0.401396 Se\n0.858898 0.180116 0.598604 Se\n0.649571 0.748435 0.035710 Se\n0.350430 0.251565 0.964289 Se\n0.600866 0.702725 0.556800 O\n0.789700 0.959175 0.954696 O\n0.210302 0.040825 0.045303 O\n0.807634 0.585231 0.975430 O\n0.192367 0.414769 0.024570 O\n0.468794 0.794757 0.845368 O\n0.531207 0.205243 0.154631 O\n0.094451 0.080321 0.648509 O\n0.905550 0.919679 0.351490 O\n0.151173 0.639216 0.286014 O\n0.848829 0.360784 0.713986 O\n0.110219 0.651589 0.645413 O\n0.889782 0.348412 0.354586 O\n0.399136 0.297275 0.443200 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Ca",
"H",
"Se",
"O"
],
"chemical_system": "Ca-H-O-Se",
"density": 3.183953530997621,
"density_atomic": 0.08548317812419491,
"volume": 327.5498245902835,
"volume_molar": 7.044825534271417,
"formula_full": "Ca2 H8 Se4 O14",
"formula_reduced": "CaH4Se2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.5097051180952383,
"spacegroup": 2
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{
"id": "jvasp-16547",
"created_at": "2022-09-04T14:37:42.885626Z",
"updated_at": "2022-09-04T14:37:42.885649Z",
"structure_string": "K4 Hg4\n1.0\n6.510382 -0.036145 0.038245\n-0.081854 6.896993 0.018958\n-1.395550 -2.228800 6.542343\nK Hg\n4 4\ndirect\n0.313767 0.198910 0.857927 K\n0.686234 0.801089 0.142073 K\n0.756278 0.345871 0.555459 K\n0.243722 0.654128 0.444542 K\n0.143623 0.714088 0.935990 Hg\n0.856377 0.285911 0.064010 Hg\n0.790639 0.892503 0.692074 Hg\n0.209361 0.107496 0.307927 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"K",
"Hg"
],
"chemical_system": "Hg-K",
"density": 5.407834075414609,
"density_atomic": 0.027174240895467657,
"volume": 294.3964481206283,
"volume_molar": 22.161210622830758,
"formula_full": "K4 Hg4",
"formula_reduced": "KHg",
"formula_anonymous": "AB",
"energy_above_hull": 0.4864194736842105,
"spacegroup": 2
},
{
"id": "jvasp-39890",
"created_at": "2022-09-04T14:37:42.939141Z",
"updated_at": "2022-09-04T14:37:42.939160Z",
"structure_string": "P1 H1 Pb2 F10\n1.0\n4.592490 -0.028236 0.018580\n0.653119 4.723911 -0.006934\n2.067019 0.269541 8.589942\nP H Pb F\n1 1 2 10\ndirect\n0.000000 0.500000 0.000000 P\n0.500000 0.499999 0.500000 H\n0.330225 0.029051 0.310250 Pb\n0.669775 0.970947 0.689750 Pb\n0.678804 0.705768 0.037951 F\n0.837192 0.237965 0.097783 F\n0.074618 0.595781 0.160306 F\n0.390784 0.523436 0.394436 F\n0.788894 0.982224 0.414015 F\n0.211106 0.017775 0.585985 F\n0.609217 0.476562 0.605564 F\n0.925382 0.404218 0.839695 F\n0.162809 0.762034 0.902218 F\n0.321196 0.294231 0.962049 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"P",
"H",
"Pb",
"F"
],
"chemical_system": "F-H-P-Pb",
"density": 5.670753716247536,
"density_atomic": 0.0751299219842535,
"volume": 186.34386447165835,
"volume_molar": 8.015635582933498,
"formula_full": "P1 H1 Pb2 F10",
"formula_reduced": "PHPb2F10",
"formula_anonymous": "ABC2D10",
"energy_above_hull": 0.2271371403571427,
"spacegroup": 2
},
{
"id": "jvasp-25646",
"created_at": "2022-09-04T14:37:43.081342Z",
"updated_at": "2022-09-04T14:37:43.081362Z",
"structure_string": "Ca10 As6 O24 F2\n1.0\n-7.013699 -0.044991 -0.046609\n-0.171886 -9.604162 0.017067\n0.313265 4.769583 8.470602\nCa As O F\n10 6 24 2\ndirect\n0.995377 0.358284 0.703925 Ca\n0.004624 0.641716 0.296075 Ca\n0.770278 0.225391 -0.006285 Ca\n0.269558 0.251837 0.248856 Ca\n0.730444 0.748162 0.751144 Ca\n0.498615 0.690419 0.345722 Ca\n0.501387 0.309581 0.654278 Ca\n0.741052 0.008964 0.244071 Ca\n0.258949 0.991036 0.755930 Ca\n0.229723 0.774609 0.006285 Ca\n0.764723 0.387269 0.370449 As\n0.766523 0.974425 0.604612 As\n0.721553 0.627466 0.024497 As\n0.235279 0.612730 0.629551 As\n0.233478 0.025574 0.395388 As\n0.278449 0.372534 0.975503 As\n0.448436 0.098383 0.377470 O\n0.781982 0.308099 0.494448 O\n0.200338 0.124194 0.596271 O\n0.285888 0.483986 0.880086 O\n0.714113 0.516014 0.119914 O\n0.706967 0.587145 0.468868 O\n0.241390 0.822246 0.308024 O\n0.452527 0.228528 0.896288 O\n0.293035 0.412855 0.531132 O\n0.547474 0.771472 0.103712 O\n0.799664 0.875806 0.403729 O\n0.398214 0.730549 0.775632 O\n0.711699 0.520359 0.822129 O\n0.062751 0.276053 0.915146 O\n0.218019 0.691901 0.505553 O\n0.929655 0.925200 0.709546 O\n0.034790 0.628149 0.733771 O\n0.758612 0.177754 0.691976 O\n0.288302 0.479641 0.177871 O\n0.601788 0.269451 0.224368 O\n0.551566 0.901617 0.622531 O\n0.937250 0.723947 0.084854 O\n0.070346 0.074799 0.290454 O\n0.965212 0.371851 0.266229 O\n0.756682 0.978474 0.992145 F\n0.243319 0.021526 0.007855 F\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Ca",
"As",
"O",
"F"
],
"chemical_system": "As-Ca-F-O",
"density": 3.700055695435342,
"density_atomic": 0.07355660153182951,
"volume": 570.9888592640553,
"volume_molar": 8.187084006857075,
"formula_full": "Ca10 As6 O24 F2",
"formula_reduced": "Ca5As3O12F",
"formula_anonymous": "AB3C5D12",
"energy_above_hull": 1.9020437920238096,
"spacegroup": 2
},
{
"id": "jvasp-24245",
"created_at": "2022-09-04T14:37:45.273783Z",
"updated_at": "2022-09-04T14:37:45.273810Z",
"structure_string": "Na1 Zr2 Cu1 F11\n1.0\n5.705389 0.259445 -0.620873\n-1.541571 4.874598 1.775214\n-2.174546 -0.684403 7.508187\nNa Zr Cu F\n1 2 1 11\ndirect\n0.000000 0.000000 0.000000 Na\n0.496419 0.512856 0.763821 Zr\n0.503581 0.487146 0.236179 Zr\n-0.000000 0.000000 0.500000 Cu\n0.328967 0.793854 0.118760 F\n0.150852 0.265127 0.650823 F\n0.807633 0.787958 0.727127 F\n0.671033 0.206148 0.881240 F\n0.292534 0.376057 -0.032922 F\n0.849148 0.734874 0.349177 F\n0.708085 0.183333 0.350936 F\n0.291915 0.816669 0.649064 F\n0.192367 0.212044 0.272872 F\n0.500000 0.500001 0.500000 F\n0.707466 0.623945 0.032922 F\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Na",
"Zr",
"Cu",
"F"
],
"chemical_system": "Cu-F-Na-Zr",
"density": 3.7702677175534323,
"density_atomic": 0.07125529805147705,
"volume": 210.51066250769915,
"volume_molar": 8.45149894068146,
"formula_full": "Na1 Zr2 Cu1 F11",
"formula_reduced": "NaZr2CuF11",
"formula_anonymous": "ABC2D11",
"energy_above_hull": 0.2657554371666672,
"spacegroup": 2
},
{
"id": "jvasp-57359",
"created_at": "2022-09-04T14:37:43.750929Z",
"updated_at": "2022-09-04T14:37:43.750958Z",
"structure_string": "Cu2 Mo2 O8\n1.0\n4.713322 -0.055295 -0.065064\n0.314697 4.894441 -0.036330\n0.968310 0.185270 5.850280\nCu Mo O\n2 2 8\ndirect\n0.493019 0.749611 0.158070 Cu\n0.506982 0.250390 0.841931 Cu\n0.969692 0.254388 0.325571 Mo\n0.030308 0.745613 0.674429 Mo\n0.730644 0.904152 0.879077 O\n0.786979 0.427089 0.620052 O\n0.750817 0.429698 0.144221 O\n0.249183 0.570302 0.855780 O\n0.221241 0.047528 0.591119 O\n0.778759 0.952473 0.408882 O\n0.213021 0.572912 0.379949 O\n0.269356 0.095849 0.120923 O\n",
"nsites": 12,
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"elements": [
"Cu",
"Mo",
"O"
],
"chemical_system": "Cu-Mo-O",
"density": 5.481560091517289,
"density_atomic": 0.08862590310946324,
"volume": 135.40059484842274,
"volume_molar": 6.795012009707772,
"formula_full": "Cu2 Mo2 O8",
"formula_reduced": "CuMoO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.538693391666667,
"spacegroup": 2
},
{
"id": "jvasp-54838",
"created_at": "2022-09-04T14:37:43.846302Z",
"updated_at": "2022-09-04T14:37:43.846321Z",
"structure_string": "Sr6 Ga6 N10\n1.0\n5.992450 0.017825 -0.006112\n-0.667785 7.193823 0.006614\n-2.083257 -2.952078 7.952091\nSr Ga N\n6 6 10\ndirect\n0.668093 0.862946 0.873061 Sr\n0.331907 0.137054 0.126938 Sr\n0.183157 0.591191 0.392169 Sr\n0.655501 0.653893 0.201394 Sr\n0.344499 0.346107 0.798605 Sr\n0.816844 0.408809 0.607831 Sr\n0.124726 0.876828 0.716951 Ga\n0.875275 0.123172 0.283049 Ga\n0.908041 0.315486 0.972715 Ga\n0.289840 0.046712 0.432874 Ga\n0.710160 0.953288 0.567125 Ga\n0.091959 0.684514 0.027285 Ga\n0.234994 0.472106 0.095515 N\n0.611487 0.052113 0.380019 N\n0.739102 0.225063 0.107859 N\n0.042834 0.891003 0.223241 N\n0.159173 0.289943 0.474832 N\n0.957167 0.108997 0.776758 N\n0.260899 0.774937 0.892141 N\n0.388514 0.947886 0.619981 N\n0.765006 0.527894 0.904485 N\n0.840828 0.710057 0.525168 N\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sr",
"Ga",
"N"
],
"chemical_system": "Ga-N-Sr",
"density": 5.249844526961092,
"density_atomic": 0.06415650038960631,
"volume": 342.9114722031209,
"volume_molar": 9.3866416083001,
"formula_full": "Sr6 Ga6 N10",
"formula_reduced": "Sr3Ga3N5",
"formula_anonymous": "A3B3C5",
"energy_above_hull": 2.436551105,
"spacegroup": 2
},
{
"id": "jvasp-32143",
"created_at": "2022-09-04T14:37:44.249295Z",
"updated_at": "2022-09-04T14:37:44.249328Z",
"structure_string": "P4 S14\n1.0\n6.056772 0.004695 -0.065431\n0.544201 6.464094 -0.020974\n0.035501 1.386072 10.967730\nP S\n4 14\ndirect\n0.055123 0.172747 0.065473 P\n0.630717 0.798968 0.495050 P\n0.369283 0.201031 0.504951 P\n0.944876 0.827252 0.934528 P\n0.149000 0.769472 0.783905 S\n0.374390 0.990684 0.788761 S\n0.241462 0.253658 0.678602 S\n0.726249 0.563637 0.613729 S\n0.717487 0.099694 0.530679 S\n0.282512 0.900306 0.469321 S\n0.758537 0.746341 0.321398 S\n0.841950 0.153882 0.911202 S\n0.625609 0.009315 0.211240 S\n0.850999 0.230527 0.216095 S\n0.158050 0.846118 0.088799 S\n0.284841 0.364535 0.049412 S\n0.273750 0.436363 0.386271 S\n0.715159 0.635465 0.950589 S\n",
"nsites": 18,
"nelements": 2,
"elements": [
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],
"chemical_system": "P-S",
"density": 2.214498045551574,
"density_atomic": 0.04190751144671687,
"volume": 429.51727216935853,
"volume_molar": 14.370074843639488,
"formula_full": "P4 S14",
"formula_reduced": "P2S7",
"formula_anonymous": "A2B7",
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"spacegroup": 2
},
{
"id": "jvasp-57362",
"created_at": "2022-09-04T14:37:44.293704Z",
"updated_at": "2022-09-04T14:37:44.293728Z",
"structure_string": "Li2 Ga2 Mo4 O16\n1.0\n6.765386 -0.037497 0.035397\n-1.851125 6.912893 0.005432\n-2.572342 -0.813642 6.763288\nLi Ga Mo O\n2 2 4 16\ndirect\n0.227977 0.552478 0.748058 Li\n0.772025 0.447522 0.251943 Li\n0.401528 0.099438 0.318931 Ga\n0.598474 0.900561 0.681069 Ga\n0.822239 0.963956 0.220413 Mo\n0.177763 0.036043 0.779587 Mo\n0.668798 0.425140 0.711419 Mo\n0.331204 0.574859 0.288581 Mo\n0.314645 0.869079 0.728730 O\n0.908946 0.519146 0.667928 O\n0.091055 0.480854 0.332072 O\n0.885956 0.950489 0.645900 O\n0.519155 0.617204 0.651401 O\n0.114047 0.049511 0.354101 O\n0.480847 0.382796 0.348599 O\n0.685356 0.130921 0.271270 O\n0.284380 0.276083 0.738946 O\n0.582579 0.159164 0.613919 O\n0.417423 0.840836 0.386081 O\n0.251849 0.572150 0.036915 O\n0.765448 0.957231 0.963152 O\n0.234553 0.042769 0.036848 O\n0.715621 0.723915 0.261055 O\n0.748153 0.427850 0.963085 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Ga",
"Mo",
"O"
],
"chemical_system": "Ga-Li-Mo-O",
"density": 4.160259394127857,
"density_atomic": 0.07581697147179887,
"volume": 316.55181596019196,
"volume_molar": 7.94299830644121,
"formula_full": "Li2 Ga2 Mo4 O16",
"formula_reduced": "LiGa(MoO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.0241101770833336,
"spacegroup": 2
},
{
"id": "jvasp-40367",
"created_at": "2022-09-04T14:37:44.955610Z",
"updated_at": "2022-09-04T14:37:44.955639Z",
"structure_string": "K4 P2 Pd1 S8\n1.0\n6.338644 0.003006 -0.000162\n0.645506 6.834620 -0.048477\n1.199241 0.185735 8.897435\nK P Pd S\n4 2 1 8\ndirect\n0.294953 0.336582 0.141494 K\n0.751726 0.213116 0.469489 K\n0.248274 0.786885 0.530512 K\n0.705046 0.663419 0.858506 K\n0.825699 0.727062 0.263269 P\n0.174300 0.272940 0.736732 P\n0.000000 0.000000 0.000000 Pd\n0.669367 0.957845 0.149607 S\n0.780004 0.466315 0.178688 S\n0.137310 0.806694 0.193226 S\n0.754802 0.736854 0.490739 S\n0.245197 0.263147 0.509262 S\n0.862689 0.193307 0.806774 S\n0.219996 0.533686 0.821312 S\n0.330632 0.042157 0.850394 S\n",
"nsites": 15,
"nelements": 4,
"elements": [
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"Pd",
"S"
],
"chemical_system": "K-P-Pd-S",
"density": 2.503878981069988,
"density_atomic": 0.038910747559606995,
"volume": 385.4976051802049,
"volume_molar": 15.476805606920664,
"formula_full": "K4 P2 Pd1 S8",
"formula_reduced": "K4P2PdS8",
"formula_anonymous": "AB2C4D8",
"energy_above_hull": 1.5172105800000002,
"spacegroup": 2
},
{
"id": "jvasp-20813",
"created_at": "2022-09-04T14:37:45.019762Z",
"updated_at": "2022-09-04T14:37:45.019770Z",
"structure_string": "Mn4 Al11\n1.0\n5.048968 -0.000142 -0.001957\n-0.916518 4.972802 -0.000774\n-0.015946 -2.362397 8.449165\nMn Al\n4 11\ndirect\n0.283804 0.150971 0.599901 Mn\n0.716195 0.849028 0.400100 Mn\n0.665919 0.611925 0.866929 Mn\n0.334080 0.388075 0.133072 Mn\n0.000000 0.000000 0.000000 Al\n0.949759 0.815834 0.673165 Al\n0.050240 0.184166 0.326836 Al\n0.797194 0.264822 0.632980 Al\n0.844110 0.531747 0.127193 Al\n0.155889 0.468253 0.872807 Al\n0.494881 0.890082 0.124243 Al\n0.505118 0.109918 0.875758 Al\n0.565249 0.327054 0.373530 Al\n0.434750 0.672946 0.626470 Al\n0.202805 0.735178 0.367021 Al\n",
"nsites": 15,
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"elements": [
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],
"chemical_system": "Al-Mn",
"density": 4.043647394807736,
"density_atomic": 0.07071374314726131,
"volume": 212.12283966869796,
"volume_molar": 8.51622399263874,
"formula_full": "Mn4 Al11",
"formula_reduced": "Mn4Al11",
"formula_anonymous": "A4B11",
"energy_above_hull": 2.923601317701149,
"spacegroup": 2
},
{
"id": "jvasp-57368",
"created_at": "2022-09-04T14:37:44.668906Z",
"updated_at": "2022-09-04T14:37:44.668922Z",
"structure_string": "Rb2 V2 I4 O16\n1.0\n5.280945 -0.019132 0.017521\n-0.213204 7.983138 0.148368\n-0.158454 -3.077539 9.135620\nRb V I O\n2 2 4 16\ndirect\n0.265599 0.807130 0.081041 Rb\n0.734403 0.192870 0.918959 Rb\n0.764538 0.637302 0.302252 V\n0.235465 0.362698 0.697749 V\n0.682620 0.145820 0.438784 I\n0.742899 0.630691 0.767929 I\n0.257103 0.369310 0.232071 I\n0.317382 0.854180 0.561216 I\n0.921956 0.652501 0.456770 O\n0.996125 0.502824 0.830006 O\n0.485795 0.522888 0.845168 O\n0.803879 0.827634 0.267399 O\n0.570132 0.329877 0.599124 O\n0.781539 0.827342 0.919059 O\n0.630873 0.963561 0.614165 O\n0.218463 0.172658 0.080942 O\n0.429870 0.670123 0.400876 O\n0.514207 0.477113 0.154832 O\n0.680879 0.263293 0.300949 O\n0.078046 0.347499 0.543230 O\n0.369129 0.036440 0.385835 O\n0.319123 0.736708 0.699052 O\n0.003877 0.497176 0.169994 O\n0.196123 0.172367 0.732601 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"V",
"I",
"O"
],
"chemical_system": "I-O-Rb-V",
"density": 4.440761244091991,
"density_atomic": 0.06192712246764528,
"volume": 387.5523202703169,
"volume_molar": 9.724560935551875,
"formula_full": "Rb2 V2 I4 O16",
"formula_reduced": "RbV(IO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.138520395833334,
"spacegroup": 2
}
]
}