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=-density&page=4462",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=4460",
"results": [
{
"id": "jvasp-34790",
"created_at": "2022-09-04T14:37:13.926930Z",
"updated_at": "2022-09-04T14:37:13.926954Z",
"structure_string": "Sr1 H12 Cl2 O6\n1.0\n3.967803 -6.872437 -0.000000\n3.967803 6.872437 0.000000\n0.000000 -0.000000 4.053107\nSr H Cl O\n1 12 2 6\ndirect\n0.000000 0.000000 0.000000 Sr\n0.551116 0.900850 0.898177 H\n0.099149 0.650266 0.898177 H\n0.448883 0.349733 0.101824 H\n0.650266 0.099149 0.101824 H\n0.900850 0.551116 0.101824 H\n0.349733 0.448883 0.898177 H\n0.114219 0.357340 0.482199 H\n0.243120 0.885780 0.482199 H\n0.756879 0.642659 0.517802 H\n0.357340 0.114219 0.517802 H\n0.885780 0.243120 0.517802 H\n0.642659 0.756879 0.482199 H\n0.666667 0.333332 0.421264 Cl\n0.333332 0.666667 0.578737 Cl\n-0.000000 0.674062 0.000000 O\n0.224595 -0.000000 0.500000 O\n-0.000000 0.224595 0.500000 O\n0.775405 0.775405 0.500000 O\n0.674062 -0.000000 0.000000 O\n0.325937 0.325937 0.000000 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Sr",
"H",
"Cl",
"O"
],
"chemical_system": "Cl-H-O-Sr",
"density": 2.002899273457158,
"density_atomic": 0.09500366535993014,
"volume": 221.04410309264978,
"volume_molar": 6.338850966628039,
"formula_full": "Sr1 H12 Cl2 O6",
"formula_reduced": "SrH12(ClO3)2",
"formula_anonymous": "AB2C6D12",
"energy_above_hull": 2.654768830714286,
"spacegroup": 150
},
{
"id": "jvasp-68490",
"created_at": "2022-09-04T14:36:03.373081Z",
"updated_at": "2022-09-04T14:36:03.373103Z",
"structure_string": "K2 Be2 Co1\n1.0\n-3.173049 3.173049 3.195705\n3.173049 -3.173049 3.195705\n3.173049 3.173049 -3.195705\nK Be Co\n2 2 1\ndirect\n0.750001 0.250000 0.500000 K\n0.250000 0.750001 0.500000 K\n0.669144 0.669144 0.000000 Be\n0.330858 0.330858 0.000000 Be\n0.000000 0.000000 0.000000 Co\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"Be",
"Co"
],
"chemical_system": "Be-Co-K",
"density": 2.0018534831466117,
"density_atomic": 0.03884988819594352,
"volume": 128.7004990794818,
"volume_molar": 15.501050426777798,
"formula_full": "K2 Be2 Co1",
"formula_reduced": "K2Be2Co",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.2792598200000005,
"spacegroup": 139
},
{
"id": "jvasp-105217",
"created_at": "2022-09-04T14:36:53.058973Z",
"updated_at": "2022-09-04T14:36:53.058997Z",
"structure_string": "Na3 Zn1\n1.0\n4.812663 0.000000 0.000000\n0.000000 4.812663 0.000000\n0.000000 -0.000000 4.812663\nNa Zn\n3 1\ndirect\n0.500000 0.500000 -0.000000 Na\n0.500000 0.000000 0.500000 Na\n-0.000000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"Zn"
],
"chemical_system": "Na-Zn",
"density": 2.001805645718838,
"density_atomic": 0.03588423033634634,
"volume": 111.4695776531255,
"volume_molar": 16.782137177121808,
"formula_full": "Na3 Zn1",
"formula_reduced": "Na3Zn",
"formula_anonymous": "AB3",
"energy_above_hull": 0.00284,
"spacegroup": 221
},
{
"id": "jvasp-85786",
"created_at": "2022-09-04T14:35:55.569978Z",
"updated_at": "2022-09-04T14:35:55.570009Z",
"structure_string": "P2 H4 N2 O4\n1.0\n3.996593 0.000000 0.000000\n0.000000 3.745195 4.379242\n0.000000 -3.745195 4.379242\nP H N O\n2 4 2 4\ndirect\n0.577986 0.750000 0.750000 P\n0.422013 0.250000 0.250000 P\n0.646418 0.104419 0.395580 H\n0.353581 0.604419 0.895580 H\n0.353581 0.895580 0.604419 H\n0.646418 0.395580 0.104419 H\n0.000000 0.749999 0.250000 N\n0.000000 0.250000 0.749999 N\n0.783179 0.601547 0.601547 O\n0.216821 0.398452 0.398452 O\n0.216821 0.101547 0.101547 O\n0.783179 0.898452 0.898452 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"P",
"H",
"N",
"O"
],
"chemical_system": "H-N-O-P",
"density": 2.001180111324439,
"density_atomic": 0.09153516038244185,
"volume": 131.0971647382597,
"volume_molar": 6.579046494089237,
"formula_full": "P2 H4 N2 O4",
"formula_reduced": "PH2NO2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.397389291666667,
"spacegroup": 67
},
{
"id": "jvasp-65224",
"created_at": "2022-09-04T14:35:50.254503Z",
"updated_at": "2022-09-04T14:35:50.254535Z",
"structure_string": "Ca4 Be1 Zn1\n1.0\n0.000000 4.601113 4.601113\n4.601113 0.000000 4.601113\n4.601113 4.601113 -0.000000\nCa Be Zn\n4 1 1\ndirect\n0.124070 0.625310 0.625310 Ca\n0.625310 0.625310 0.625310 Ca\n0.625310 0.124070 0.625310 Ca\n0.625310 0.625310 0.124070 Ca\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Zn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Be",
"Zn"
],
"chemical_system": "Be-Ca-Zn",
"density": 2.000805579290526,
"density_atomic": 0.03079871213788124,
"volume": 194.81334067278186,
"volume_molar": 19.553222657622094,
"formula_full": "Ca4 Be1 Zn1",
"formula_reduced": "Ca4BeZn",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-112087",
"created_at": "2022-09-04T14:38:43.876792Z",
"updated_at": "2022-09-04T14:38:43.876818Z",
"structure_string": "Zn1 H10 C7 O4\n1.0\n4.954188 -0.124089 0.537000\n2.929027 3.883846 0.446864\n-0.104097 0.063020 9.455831\nZn H C O\n1 10 7 4\ndirect\n0.693751 0.165909 0.820085 Zn\n0.406943 0.342275 0.447643 H\n0.047044 0.595578 0.224385 H\n0.396708 0.258802 0.132338 H\n0.351783 0.844214 0.298557 H\n0.019910 0.188682 0.393771 H\n0.733477 0.346539 0.167934 H\n0.075533 0.064761 0.057689 H\n0.593291 0.631056 0.533545 H\n0.804723 0.785157 0.597248 H\n0.732745 -0.016332 0.356888 H\n0.293201 0.049771 0.668790 C\n0.570703 0.860259 0.556742 C\n0.497645 0.085683 0.419505 C\n0.249771 0.102880 0.328926 C\n0.167770 0.333419 0.194824 C\n0.944021 0.315982 0.102396 C\n0.792413 0.578988 0.981607 C\n0.612722 0.570764 0.896592 O\n0.292595 0.247238 0.749238 O\n0.054731 0.019400 0.671455 O\n0.837392 0.811535 0.973570 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 2.000581903002473,
"density_atomic": 0.1185588750854762,
"volume": 185.5618146185925,
"volume_molar": 5.079451669609954,
"formula_full": "Zn1 H10 C7 O4",
"formula_reduced": "ZnH10C7O4",
"formula_anonymous": "AB4C7D10",
"energy_above_hull": 4.366537927272727,
"spacegroup": 1
},
{
"id": "jvasp-74989",
"created_at": "2022-09-04T14:35:55.691071Z",
"updated_at": "2022-09-04T14:35:55.691098Z",
"structure_string": "K2 Mn1 Be1\n1.0\n-2.366449 2.366449 5.268770\n2.366449 -2.366449 5.268770\n2.366449 2.366449 -5.268770\nK Mn Be\n2 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.000000 K\n0.250000 0.750000 0.500000 Mn\n0.750000 0.250000 0.500000 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Mn",
"Be"
],
"chemical_system": "Be-K-Mn",
"density": 1.9999665720391335,
"density_atomic": 0.03389194249485855,
"volume": 118.02215233331063,
"volume_molar": 17.768650353733978,
"formula_full": "K2 Mn1 Be1",
"formula_reduced": "K2MnBe",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3306423353448271,
"spacegroup": 139
},
{
"id": "jvasp-93095",
"created_at": "2022-09-04T14:36:02.730543Z",
"updated_at": "2022-09-04T14:36:02.730576Z",
"structure_string": "Rb1 Mg6 B1\n1.0\n8.359936 0.111553 0.000000\n-4.083360 7.295694 0.000000\n0.000000 0.000000 3.272517\nRb Mg B\n1 6 1\ndirect\n0.161441 0.338558 0.250000 Rb\n0.170785 0.940324 0.250000 Mg\n0.559676 0.329215 0.250000 Mg\n0.713539 0.786460 0.250000 Mg\n0.372793 0.792472 0.750001 Mg\n0.707528 0.127206 0.750001 Mg\n0.913842 0.586158 0.750001 Mg\n0.400396 0.099604 0.750001 B\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"B"
],
"chemical_system": "B-Mg-Rb",
"density": 1.9992944114709357,
"density_atomic": 0.039783873599704304,
"volume": 201.086502548597,
"volume_molar": 15.137140291046874,
"formula_full": "Rb1 Mg6 B1",
"formula_reduced": "RbMg6B",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-97374",
"created_at": "2022-09-04T14:36:05.057726Z",
"updated_at": "2022-09-04T14:36:05.057744Z",
"structure_string": "Na4 Li12 Si24\n1.0\n3.805379 0.000000 0.000000\n0.000000 10.338113 0.000000\n0.000000 0.000000 17.930670\nNa Li Si\n4 12 24\ndirect\n0.250000 0.748447 0.575796 Na\n0.750000 0.248448 0.924204 Na\n0.250000 0.751552 0.075796 Na\n0.750000 0.251552 0.424204 Na\n0.750000 0.563773 0.313156 Li\n0.250000 0.436226 0.686844 Li\n0.250000 0.063774 0.186844 Li\n0.750000 0.936226 0.813156 Li\n0.250000 0.014947 0.932062 Li\n0.750000 0.907379 0.473060 Li\n0.750000 0.592621 0.973060 Li\n0.250000 0.407379 0.026940 Li\n0.250000 0.485053 0.432062 Li\n0.750000 0.514946 0.567938 Li\n0.750000 0.985053 0.067938 Li\n0.250000 0.092621 0.526940 Li\n0.250000 0.501732 0.883672 Si\n0.250000 0.998267 0.383672 Si\n0.750000 0.001733 0.616328 Si\n0.750000 0.259365 0.116545 Si\n0.250000 0.743472 0.248704 Si\n0.250000 0.759365 0.383455 Si\n0.750000 0.240635 0.616545 Si\n0.750000 0.256527 0.751296 Si\n0.750000 0.498267 0.116328 Si\n0.250000 0.740635 0.883455 Si\n0.250000 0.138172 0.795475 Si\n0.250000 0.974660 0.695692 Si\n0.750000 0.638171 0.704525 Si\n0.250000 0.361828 0.295475 Si\n0.250000 0.334500 0.553822 Si\n0.750000 0.665499 0.446178 Si\n0.750000 0.834500 0.946178 Si\n0.250000 0.165499 0.053822 Si\n0.750000 0.243472 0.251296 Si\n0.750000 0.025340 0.304308 Si\n0.750000 0.474660 0.804308 Si\n0.250000 0.525340 0.195692 Si\n0.750000 0.861828 0.204525 Si\n0.250000 0.756527 0.748704 Si\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Na",
"Li",
"Si"
],
"chemical_system": "Li-Na-Si",
"density": 1.9992913416910272,
"density_atomic": 0.05670538213473225,
"volume": 705.4004134027316,
"volume_molar": 10.620051454183603,
"formula_full": "Na4 Li12 Si24",
"formula_reduced": "Na(LiSi2)3",
"formula_anonymous": "AB3C6",
"energy_above_hull": 2.39936506,
"spacegroup": 62
},
{
"id": "jvasp-113731",
"created_at": "2022-09-04T14:38:48.624237Z",
"updated_at": "2022-09-04T14:38:48.624253Z",
"structure_string": "Sr1 Te1 O1\n1.0\n6.350127 0.000000 0.000000\n0.000000 6.350127 0.000000\n0.000000 0.000000 4.762595\nSr Te O\n1 1 1\ndirect\n0.070312 0.371263 0.000000 Sr\n-0.068721 -0.031433 0.000000 Te\n0.298396 0.011205 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sr",
"Te",
"O"
],
"chemical_system": "O-Sr-Te",
"density": 1.999239820806392,
"density_atomic": 0.015621142021024966,
"volume": 192.04741855379137,
"volume_molar": 38.55121957085225,
"formula_full": "Sr1 Te1 O1",
"formula_reduced": "SrTeO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7864858588888892,
"spacegroup": 6
},
{
"id": "jvasp-101969",
"created_at": "2022-09-04T14:37:03.211668Z",
"updated_at": "2022-09-04T14:37:03.211696Z",
"structure_string": "Cd1 H20 C12 O4\n1.0\n3.884237 0.060889 0.996410\n0.969921 4.201700 0.264656\n-0.139488 0.102302 17.366804\nCd H C O\n1 20 12 4\ndirect\n0.469476 0.970536 0.858316 Cd\n0.188781 0.709663 0.515973 H\n0.240256 0.182165 0.589964 H\n0.413082 0.798928 0.016820 H\n0.058032 0.362450 0.146819 H\n0.607237 0.387594 0.189443 H\n0.143707 0.281989 0.294651 H\n0.683728 0.334240 0.330318 H\n0.203993 0.225953 0.441197 H\n0.741443 0.289766 0.473975 H\n0.535586 0.406659 0.055069 H\n0.774387 0.259475 0.618932 H\n0.894891 0.915802 0.087380 H\n0.452078 0.943496 0.136231 H\n0.039721 0.825688 0.229088 H\n0.581588 0.875860 0.265910 H\n0.125400 0.761158 0.371461 H\n0.663665 0.823874 0.404974 H\n0.238514 0.656623 0.663910 H\n0.768580 0.768704 0.686374 H\n0.724753 0.784903 0.546272 H\n0.941295 0.549130 0.966933 C\n0.625012 0.625619 0.036766 C\n0.698453 0.772689 0.108175 C\n0.805144 0.531679 0.171686 C\n0.830239 0.693616 0.245223 C\n0.894723 0.464961 0.314073 C\n-0.002448 0.375498 0.603608 C\n0.957797 0.414481 0.458220 C\n0.967234 0.591072 0.530940 C\n-0.001151 0.564376 0.675646 C\n-0.008365 0.357326 0.749524 C\n0.909760 0.635662 0.387214 C\n0.172477 0.290435 0.967084 O\n0.721350 0.423975 0.808547 O\n0.250867 0.116633 0.748837 O\n0.963704 0.760895 0.910555 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 1.9991969909687943,
"density_atomic": 0.1307499213543269,
"volume": 282.9829618002716,
"volume_molar": 4.605846563899833,
"formula_full": "Cd1 H20 C12 O4",
"formula_reduced": "CdH20(C3O)4",
"formula_anonymous": "AB4C12D20",
"energy_above_hull": 4.595710371621623,
"spacegroup": 1
},
{
"id": "jvasp-101967",
"created_at": "2022-09-04T14:37:02.135688Z",
"updated_at": "2022-09-04T14:37:02.135697Z",
"structure_string": "Cd1 H20 C12 O4\n1.0\n4.007552 0.063583 0.101066\n1.006004 4.204570 0.045652\n-0.271822 0.023092 16.853480\nCd H C O\n1 20 12 4\ndirect\n0.325071 0.953537 0.857146 Cd\n0.702700 0.693036 0.514784 H\n0.828862 0.165146 0.588874 H\n0.426208 0.782179 0.015445 H\n0.202924 0.345056 0.145520 H\n0.794153 0.369845 0.188163 H\n0.436286 0.264405 0.293435 H\n0.011189 0.317018 0.329097 H\n0.643390 0.208542 0.440006 H\n0.212828 0.272659 0.472757 H\n0.587566 0.389172 0.053666 H\n0.391008 0.242222 0.617683 H\n0.979097 0.899116 0.086149 H\n0.584558 0.926383 0.134986 H\n0.266209 0.808873 0.227851 H\n0.844131 0.859093 0.264638 H\n0.494719 0.744284 0.370215 H\n0.065696 0.807407 0.403713 H\n0.899557 0.640848 0.662882 H\n0.451032 0.752224 0.685207 H\n0.268159 0.768486 0.545032 H\n0.905097 0.532294 0.965606 C\n0.659094 0.608520 0.035427 C\n0.803509 0.755108 0.106879 C\n0.974187 0.514747 0.170420 C\n0.072728 0.676181 0.243965 C\n0.206210 0.448178 0.312848 C\n0.598990 0.359057 0.602445 C\n0.413693 0.397855 0.457012 C\n0.495873 0.573905 0.529733 C\n0.671536 0.547502 0.674527 C\n0.738808 0.341103 0.748424 C\n0.294534 0.618373 0.385974 C\n0.135780 0.273529 0.965528 O\n0.528266 0.407541 0.807374 O\n-0.002055 0.101283 0.747872 O\n0.871201 0.743985 0.909429 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 1.9989600393746378,
"density_atomic": 0.13073442443109184,
"volume": 283.01650587448864,
"volume_molar": 4.606392529133885,
"formula_full": "Cd1 H20 C12 O4",
"formula_reduced": "CdH20(C3O)4",
"formula_anonymous": "AB4C12D20",
"energy_above_hull": 4.595870101351352,
"spacegroup": 1
}
]
}