HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=4057",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=4055",
"results": [
{
"id": "jvasp-112083",
"created_at": "2022-09-04T14:38:44.273990Z",
"updated_at": "2022-09-04T14:38:44.274020Z",
"structure_string": "Zn1 H4 C4 O4\n1.0\n4.029751 0.082129 -0.016313\n0.697688 4.746522 0.108260\n-0.082229 0.141040 6.760412\nZn H C O\n1 4 4 4\ndirect\n0.765733 0.013833 0.733807 Zn\n0.302550 0.032122 0.147573 H\n0.896329 0.014763 0.236826 H\n0.225911 0.548398 0.223347 H\n0.818346 0.534459 0.305503 H\n0.265353 0.064757 0.457265 C\n0.111050 0.124049 0.251715 C\n0.008691 0.439622 0.202660 C\n0.881534 0.515475 0.991695 C\n0.173791 0.877481 0.575302 O\n0.501507 0.198837 0.505127 O\n0.728620 0.772760 0.963526 O\n-0.061001 0.342906 0.855466 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 2.338801778033629,
"density_atomic": 0.10089185884915748,
"volume": 128.85083244859413,
"volume_molar": 5.968906538835457,
"formula_full": "Zn1 H4 C4 O4",
"formula_reduced": "ZnH4(CO)4",
"formula_anonymous": "AB4C4D4",
"energy_above_hull": 3.9589972615384617,
"spacegroup": 1
},
{
"id": "jvasp-112109",
"created_at": "2022-09-04T14:38:44.217610Z",
"updated_at": "2022-09-04T14:38:44.217626Z",
"structure_string": "Ca1 H8 C6 O4\n1.0\n3.703109 -0.078384 -0.290223\n-1.216310 4.492611 -0.099280\n0.086013 -0.046105 10.105497\nCa H C O\n1 8 6 4\ndirect\n0.011981 0.039604 0.213033 Ca\n0.266471 0.844103 0.852331 H\n0.728100 0.867630 0.906163 H\n0.168034 0.310476 0.761832 H\n0.638002 0.337670 0.814045 H\n0.757849 0.235222 0.573764 H\n0.296141 0.211542 0.519975 H\n0.386216 0.741592 0.612040 H\n0.856183 0.768790 0.664253 H\n0.449266 0.705683 0.886088 C\n0.450339 0.469512 0.778391 C\n0.573875 0.609755 0.647699 C\n0.712474 0.492523 0.408834 C\n0.311567 0.586672 0.017240 C\n0.574942 0.373555 0.540013 C\n0.399439 0.774650 0.119632 O\n0.912311 0.758444 0.403236 O\n0.111703 0.320746 0.022814 O\n0.624495 0.304516 0.306451 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Ca",
"H",
"C",
"O"
],
"chemical_system": "C-Ca-H-O",
"density": 1.8289961145258746,
"density_atomic": 0.11361085622371575,
"volume": 167.2375390128768,
"volume_molar": 5.300673685744924,
"formula_full": "Ca1 H8 C6 O4",
"formula_reduced": "CaH8(C3O2)2",
"formula_anonymous": "AB4C6D8",
"energy_above_hull": 4.336251285263158,
"spacegroup": 2
},
{
"id": "jvasp-112027",
"created_at": "2022-09-04T14:38:43.589118Z",
"updated_at": "2022-09-04T14:38:43.589149Z",
"structure_string": "Ti1 H26 C14 O4\n1.0\n4.853996 0.061355 0.212739\n1.765758 7.159087 2.207886\n0.171611 0.213997 10.562369\nTi H C O\n1 26 14 4\ndirect\n0.618159 0.363711 0.181904 Ti\n0.385449 0.601297 0.607585 H\n0.477865 0.514436 0.380746 H\n0.531415 0.264009 0.439260 H\n0.706647 0.261909 0.968304 H\n0.338065 0.390807 0.949753 H\n0.530079 0.714364 0.698627 H\n0.192060 0.410509 0.368669 H\n0.520870 0.988724 0.495593 H\n0.177671 0.953405 0.539371 H\n0.197087 0.793089 0.363003 H\n0.542810 0.831409 0.319555 H\n0.819567 0.240050 0.588948 H\n0.616648 0.514655 0.914380 H\n0.199204 0.389917 0.627262 H\n0.254157 0.052364 0.721395 H\n0.560057 0.039472 0.901002 H\n0.586688 0.798825 0.926702 H\n0.671393 0.879640 0.130331 H\n0.105895 0.104964 0.864818 H\n0.983962 0.948169 0.060200 H\n0.827875 0.900633 0.721209 H\n0.642614 0.285353 0.730953 H\n0.946079 0.718687 0.544694 H\n0.815884 0.586257 0.463770 H\n0.999935 0.455093 0.758058 H\n0.103977 0.774771 0.839892 H\n0.844410 0.855730 0.061285 C\n0.980684 0.429414 0.662106 C\n0.712048 0.901001 0.922029 C\n0.930241 0.904368 0.810446 C\n0.051723 0.079310 0.773378 C\n0.821842 0.612691 0.560232 C\n0.853109 0.259491 0.685541 C\n0.014837 0.654166 0.112887 C\n0.383910 0.892418 0.501676 C\n0.521182 0.698316 0.598911 C\n0.205413 0.080074 0.268921 C\n0.422736 0.393996 0.363345 C\n0.552239 0.389446 0.978095 C\n0.337237 0.885832 0.359914 C\n0.931311 0.132372 0.259441 O\n0.874167 0.523778 0.150752 O\n0.281181 0.617514 0.116778 O\n0.363573 0.184395 0.206992 O\n",
"nsites": 45,
"nelements": 4,
"elements": [
"Ti",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Ti",
"density": 1.3990738803083742,
"density_atomic": 0.1238138766027691,
"volume": 363.448760629417,
"volume_molar": 4.863865767906435,
"formula_full": "Ti1 H26 C14 O4",
"formula_reduced": "TiH26(C7O2)2",
"formula_anonymous": "AB4C14D26",
"energy_above_hull": 4.758395385185185,
"spacegroup": 1
},
{
"id": "jvasp-113013",
"created_at": "2022-09-04T14:38:45.478415Z",
"updated_at": "2022-09-04T14:38:45.478431Z",
"structure_string": "Mn2 Ag4 Sn2 Se8\n1.0\n7.048286 -0.000000 0.000000\n0.000000 7.450366 0.000000\n-0.000000 0.000000 8.299282\nMn Ag Sn Se\n2 4 2 8\ndirect\n0.497371 0.339964 -0.000000 Mn\n-0.002629 0.660037 0.500000 Mn\n0.520637 0.820768 0.253165 Ag\n0.020637 0.179233 0.246835 Ag\n0.020637 0.179233 0.753165 Ag\n0.520637 0.820768 0.746834 Ag\n0.001864 0.663188 -0.000000 Sn\n0.501864 0.336812 0.500000 Sn\n0.853775 0.343805 -0.000000 Se\n0.353775 0.656196 0.500000 Se\n0.892963 0.839286 0.256935 Se\n0.392962 0.160714 0.243064 Se\n0.392962 0.160714 0.756935 Se\n0.892963 0.839286 0.743064 Se\n0.372292 0.652687 -0.000000 Se\n0.872292 0.347313 0.500000 Se\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Mn",
"Ag",
"Sn",
"Se"
],
"chemical_system": "Ag-Mn-Se-Sn",
"density": 5.374088361895049,
"density_atomic": 0.036712869853164486,
"volume": 435.8144722543632,
"volume_molar": 16.403350607255557,
"formula_full": "Mn2 Ag4 Sn2 Se8",
"formula_reduced": "MnAg2SnSe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.3777558660057472,
"spacegroup": 31
},
{
"id": "jvasp-111896",
"created_at": "2022-09-04T14:38:42.438489Z",
"updated_at": "2022-09-04T14:38:42.438518Z",
"structure_string": "Li4 Ti2 Co6 O16\n1.0\n5.689063 0.020696 -0.059405\n2.827041 4.937322 0.014481\n0.096196 -0.082020 9.204857\nLi Ti Co O\n4 2 6 16\ndirect\n0.666671 0.666676 0.893120 Li\n0.333312 0.333342 0.393124 Li\n0.000035 0.000007 0.998012 Li\n0.999904 0.000053 0.498006 Li\n0.666608 0.666699 0.495454 Ti\n0.333356 0.333340 0.995452 Ti\n0.830128 0.830111 0.215014 Co\n0.660208 0.169896 0.715022 Co\n0.830125 0.339779 0.215018 Co\n0.169858 0.660243 0.715014 Co\n0.339776 0.830118 0.215015 Co\n0.169853 0.169903 0.715015 Co\n0.835446 0.329054 0.599903 O\n0.481604 0.036765 0.835267 O\n0.963235 0.518391 0.335275 O\n0.036750 0.481622 0.835266 O\n0.518385 0.963247 0.335264 O\n0.671003 0.164503 0.099890 O\n-0.000011 0.000001 0.807326 O\n0.164526 0.670977 0.099896 O\n0.333309 0.333348 0.609473 O\n0.666671 0.666669 0.109476 O\n0.481614 0.481634 0.835264 O\n0.518381 0.518371 0.335264 O\n0.164523 0.164531 0.099906 O\n0.328963 0.835522 0.599883 O\n0.000013 0.000001 0.307325 O\n0.835448 0.835503 0.599904 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Co",
"O"
],
"chemical_system": "Co-Li-O-Ti",
"density": 4.717144652310418,
"density_atomic": 0.10850063309035832,
"volume": 258.0630103483531,
"volume_molar": 5.5503277616682825,
"formula_full": "Li4 Ti2 Co6 O16",
"formula_reduced": "Li2TiCo3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.897612788095238,
"spacegroup": 186
},
{
"id": "jvasp-116536",
"created_at": "2022-09-04T14:38:43.735893Z",
"updated_at": "2022-09-04T14:38:43.735921Z",
"structure_string": "Ba6 Na2 Sb2 O12\n1.0\n7.200651 -0.007917 -0.234166\n-0.241648 7.196600 -0.234166\n-0.007664 -0.007917 7.204453\nBa Na Sb O\n6 2 2 12\ndirect\n0.250000 0.600833 0.899166 Ba\n0.899167 0.249999 0.600833 Ba\n0.600833 0.899166 0.249999 Ba\n0.399167 0.100833 0.749999 Ba\n0.750000 0.399166 0.100833 Ba\n0.100834 0.750000 0.399166 Ba\n0.250000 0.250000 0.250000 Na\n0.750000 0.749999 0.749999 Na\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.499999 Sb\n0.231748 0.417987 0.551174 O\n0.917987 0.731748 0.051174 O\n0.731748 0.051174 0.917986 O\n0.051175 0.917987 0.731747 O\n0.582013 0.448825 0.768251 O\n0.948825 0.082012 0.268251 O\n0.768252 0.582013 0.448824 O\n0.082013 0.268252 0.948824 O\n0.268252 0.948825 0.082012 O\n0.551175 0.231748 0.417986 O\n0.448825 0.768252 0.582012 O\n0.417987 0.551175 0.231747 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Ba",
"Na",
"Sb",
"O"
],
"chemical_system": "Ba-Na-O-Sb",
"density": 5.8070794929995175,
"density_atomic": 0.05893450885185981,
"volume": 373.2957214473459,
"volume_molar": 10.218360816643944,
"formula_full": "Ba6 Na2 Sb2 O12",
"formula_reduced": "Ba3NaSbO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.3819594554545451,
"spacegroup": 167
},
{
"id": "jvasp-116509",
"created_at": "2022-09-04T14:38:43.130071Z",
"updated_at": "2022-09-04T14:38:43.130098Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n2.848644 -0.000000 0.000000\n0.000000 4.918736 0.071595\n-0.000000 -0.356164 14.187849\nLi Mn Co O\n7 2 3 12\ndirect\n0.499999 0.838124 0.347721 Li\n0.499999 0.161877 0.652279 Li\n0.499999 0.500000 -0.000000 Li\n-0.000000 0.349457 0.355494 Li\n-0.000000 0.650545 0.644506 Li\n0.000000 0.000000 0.000000 Li\n0.499999 0.500001 0.500000 Li\n-0.000000 0.670313 0.167616 Mn\n-0.000000 0.329688 0.832384 Mn\n0.499999 0.169938 0.166116 Co\n0.499999 0.830063 0.833884 Co\n0.000000 0.000000 0.500000 Co\n-0.000000 0.996178 0.763985 O\n0.499999 0.503804 0.238549 O\n0.499999 0.845307 0.574238 O\n0.499999 0.166743 0.909057 O\n0.000000 0.003824 0.236015 O\n-0.000000 0.305573 0.578716 O\n-0.000000 0.661348 0.908182 O\n0.499999 0.154694 0.425762 O\n0.499999 0.496198 0.761451 O\n0.499999 0.833259 0.090942 O\n-0.000000 0.694428 0.421284 O\n-0.000000 0.338654 0.091818 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.402539753384825,
"density_atomic": 0.12068250946715953,
"volume": 198.86891734324558,
"volume_molar": 4.9900692209576265,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy_above_hull": 2.693264965948276,
"spacegroup": 10
},
{
"id": "jvasp-56722",
"created_at": "2022-09-04T14:38:31.966202Z",
"updated_at": "2022-09-04T14:38:31.966224Z",
"structure_string": "Mn2 Ni2 Bi4 O12\n1.0\n0.000000 5.401818 -0.002844\n5.640827 0.000000 0.000000\n0.000000 -5.366722 -7.643543\nMn Ni Bi O\n2 2 4 12\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 -0.000000 Ni\n0.260399 0.942068 0.250773 Bi\n0.739601 0.442068 0.249226 Bi\n0.260399 0.557933 0.750773 Bi\n0.739601 0.057933 0.749226 Bi\n0.763201 0.711046 0.458194 O\n0.837863 0.023311 0.252788 O\n0.668292 0.192815 0.459889 O\n0.668292 0.307186 0.959889 O\n0.236799 0.288955 0.541806 O\n0.331708 0.807186 0.540110 O\n0.236799 0.211046 0.041806 O\n0.162137 0.523312 0.247211 O\n0.331708 0.692815 0.040111 O\n0.763201 0.788955 0.958193 O\n0.162137 0.976689 0.747211 O\n0.837863 0.476689 0.752788 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mn",
"Ni",
"Bi",
"O"
],
"chemical_system": "Bi-Mn-Ni-O",
"density": 8.94573887335241,
"density_atomic": 0.08584046117684171,
"volume": 232.99036055733188,
"volume_molar": 7.015503734997024,
"formula_full": "Mn2 Ni2 Bi4 O12",
"formula_reduced": "MnNi(BiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.441931924137932,
"spacegroup": 14
},
{
"id": "jvasp-112772",
"created_at": "2022-09-04T14:38:43.184340Z",
"updated_at": "2022-09-04T14:38:43.184364Z",
"structure_string": "Sr4 Co2 Cl2 O6\n1.0\n3.838179 -0.000000 0.000000\n0.000000 3.838179 0.000000\n-0.000000 -0.000000 14.616739\nSr Co Cl O\n4 2 2 6\ndirect\n-0.000000 0.500000 0.093754 Sr\n0.500000 0.000000 0.906246 Sr\n-0.000000 0.500000 0.341472 Sr\n0.500000 0.000000 0.658528 Sr\n0.500000 0.000000 0.209476 Co\n-0.000000 0.500000 0.790525 Co\n0.500000 0.000000 0.424992 Cl\n-0.000000 0.500000 0.575008 Cl\n-0.000000 0.500000 0.925272 O\n0.500000 0.000000 0.074728 O\n0.500000 0.500000 0.772652 O\n0.500000 0.500000 0.227348 O\n0.000000 0.000000 0.227348 O\n0.000000 0.000000 0.772652 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Sr",
"Co",
"Cl",
"O"
],
"chemical_system": "Cl-Co-O-Sr",
"density": 4.898825862146976,
"density_atomic": 0.06501702502271826,
"volume": 215.32821588050388,
"volume_molar": 9.262405897371869,
"formula_full": "Sr4 Co2 Cl2 O6",
"formula_reduced": "Sr2CoClO3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 1.2117754410714288,
"spacegroup": 129
},
{
"id": "jvasp-118994",
"created_at": "2022-09-04T14:38:31.964268Z",
"updated_at": "2022-09-04T14:38:31.964294Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n6.186579 -0.036668 4.261594\n5.548645 2.736355 4.261594\n-0.033786 -0.007773 11.535178\nLi Mn Co O\n7 2 3 12\ndirect\n0.668697 0.668701 0.741755 Li\n0.000305 0.000306 0.257582 Li\n0.349408 0.349411 0.732878 Li\n0.651819 0.651821 0.274194 Li\n0.005342 0.005344 0.733558 Li\n0.326641 0.326642 0.257596 Li\n0.002136 0.002137 0.504135 Li\n-0.000493 -0.000493 0.000204 Mn\n0.339641 0.339643 0.496248 Mn\n0.332751 0.332754 0.999583 Co\n0.662917 0.662919 0.501242 Co\n0.666334 0.666335 0.000481 Co\n0.174047 0.174049 0.609149 O\n0.495025 0.495029 0.889878 O\n0.827424 0.827427 0.388903 O\n0.158653 0.158655 0.891098 O\n0.488714 0.488716 0.379058 O\n0.823968 0.823972 0.894725 O\n0.167154 0.167155 0.387684 O\n0.831574 0.831577 0.613186 O\n0.174896 0.174896 0.105526 O\n0.508992 0.508995 0.620917 O\n0.840242 0.840244 0.109167 O\n0.503788 0.503789 0.111253 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.420908693462831,
"density_atomic": 0.12118603922703536,
"volume": 198.0426140921837,
"volume_molar": 4.969335410589541,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy_above_hull": 2.6908795492816093,
"spacegroup": 8
},
{
"id": "jvasp-112034",
"created_at": "2022-09-04T14:38:43.232380Z",
"updated_at": "2022-09-04T14:38:43.232406Z",
"structure_string": "H8 C14 S1 O1\n1.0\n3.761546 -0.055888 -0.529525\n-1.806935 5.941990 -0.131717\n-0.066909 -0.202548 10.760589\nH C S O\n8 14 1 1\ndirect\n0.629211 0.138753 0.168905 H\n0.073059 0.166226 0.590835 H\n0.648202 0.788541 0.401158 H\n0.312997 0.946885 0.781688 H\n0.524371 0.757694 0.169162 H\n0.385440 0.887050 0.559953 H\n0.751528 0.168368 0.401434 H\n0.001869 0.225884 0.810824 H\n0.082503 0.371099 0.756216 C\n0.929470 0.294730 0.351177 C\n0.121517 0.338092 0.631389 C\n0.857358 0.278032 0.220641 C\n0.048935 0.631205 0.936263 C\n0.132073 0.590750 0.810643 C\n0.199833 0.485434 0.419354 C\n0.419146 0.647793 0.350857 C\n0.055845 0.450494 0.153240 C\n0.257286 0.775996 0.738623 C\n0.301754 0.741498 0.614817 C\n0.350223 0.630770 0.219992 C\n0.920295 0.437214 0.015915 C\n0.218872 0.520936 0.556447 C\n0.985400 0.868200 0.987151 S\n0.654922 0.274229 0.963359 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.558780140588226,
"density_atomic": 0.10045252919916145,
"volume": 238.91882256559794,
"volume_molar": 5.995011582097897,
"formula_full": "H8 C14 S1 O1",
"formula_reduced": "H8C14SO",
"formula_anonymous": "ABC8D14",
"energy_above_hull": 5.811625979166668,
"spacegroup": 1
},
{
"id": "jvasp-26331",
"created_at": "2022-09-04T14:38:31.953550Z",
"updated_at": "2022-09-04T14:38:31.953567Z",
"structure_string": "Dy1 Bi2 I1 O4\n1.0\n3.939704 0.000000 -0.000000\n-0.000000 3.939704 -0.000000\n0.000000 -0.000000 9.638452\nDy Bi I O\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.742071 Bi\n0.500000 0.500000 0.257928 Bi\n0.000000 0.000000 0.500000 I\n0.000000 0.500000 0.142100 O\n0.500000 0.000000 0.142100 O\n0.000000 0.500000 0.857900 O\n0.500000 0.000000 0.857900 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Dy",
"Bi",
"I",
"O"
],
"chemical_system": "Bi-Dy-I-O",
"density": 8.561963099685284,
"density_atomic": 0.0534755809400566,
"volume": 149.60099281516162,
"volume_molar": 11.261477957108148,
"formula_full": "Dy1 Bi2 I1 O4",
"formula_reduced": "DyBi2IO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.561784421875,
"spacegroup": 123
}
]
}