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=energy_above_hull&page=4515",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=4513",
"results": [
{
"id": "jvasp-102311",
"created_at": "2022-09-04T14:37:12.537894Z",
"updated_at": "2022-09-04T14:37:12.537922Z",
"structure_string": "C2 S2 N6\n1.0\n5.407152 0.052340 1.704513\n0.808639 5.407389 1.042927\n0.692336 0.205407 6.634151\nC S N\n2 2 6\ndirect\n0.437738 0.285171 0.132755 C\n0.562263 0.714830 0.867245 C\n0.643198 0.348907 0.214761 S\n0.356803 0.651094 0.785238 S\n0.889964 0.208590 0.634584 N\n0.110037 0.791411 0.365415 N\n-0.045225 0.756127 0.318123 N\n0.045226 0.243873 0.681877 N\n0.294439 0.288445 0.038955 N\n0.705561 0.711556 -0.038955 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"C",
"S",
"N"
],
"chemical_system": "C-N-S",
"density": 1.5333579787928322,
"density_atomic": 0.05362687603199365,
"volume": 186.47366283342754,
"volume_molar": 11.22970645615681,
"formula_full": "C2 S2 N6",
"formula_reduced": "CSN3",
"formula_anonymous": "ABC3",
"energy_above_hull": 5.06011595,
"spacegroup": 2
},
{
"id": "jvasp-63577",
"created_at": "2022-09-04T14:36:01.442184Z",
"updated_at": "2022-09-04T14:36:01.442209Z",
"structure_string": "K1 Ni1 Au3 C6 N6\n1.0\n3.344242 -5.792398 -0.000000\n3.344242 5.792398 -0.000000\n0.000000 0.000000 7.791956\nK Ni Au C N\n1 1 3 6 6\ndirect\n0.333333 0.666667 0.500000 K\n0.000000 0.000000 0.500000 Ni\n0.503412 0.006825 0.000000 Au\n0.503412 0.496588 0.000000 Au\n0.993174 0.496587 0.000000 Au\n0.661945 0.654679 0.215472 C\n0.992734 0.338054 0.215472 C\n0.345321 0.007266 0.215472 C\n0.345321 0.338055 0.784528 C\n0.661945 0.007266 0.784528 C\n0.992734 0.654679 0.784528 C\n-0.003674 0.242228 0.339913 N\n0.757772 0.003673 0.660088 N\n0.245902 0.242228 0.660088 N\n-0.003674 0.754098 0.660088 N\n0.245902 0.003674 0.339913 N\n0.757771 0.754098 0.339913 N\n",
"nsites": 17,
"nelements": 5,
"elements": [
"K",
"Ni",
"Au",
"C",
"N"
],
"chemical_system": "Au-C-K-N-Ni",
"density": 4.6469528741546,
"density_atomic": 0.05631399558894586,
"volume": 301.8787749334734,
"volume_molar": 10.69386161826904,
"formula_full": "K1 Ni1 Au3 C6 N6",
"formula_reduced": "KNiAu3(CN)6",
"formula_anonymous": "ABC3D6E6",
"energy_above_hull": 5.060270741764705,
"spacegroup": 149
},
{
"id": "jvasp-86661",
"created_at": "2022-09-04T14:35:54.208797Z",
"updated_at": "2022-09-04T14:35:54.208823Z",
"structure_string": "K1 Ni1 Au3 C6 N6\n1.0\n6.687179 0.000000 -0.000000\n-3.343590 5.791267 0.000000\n-0.000000 0.000000 7.793180\nK Ni Au C N\n1 1 3 6 6\ndirect\n0.666667 0.333333 0.500000 K\n0.000000 0.000000 0.500000 Ni\n0.496620 0.503380 0.000000 Au\n0.006760 0.503380 0.000000 Au\n0.496620 0.993240 0.000000 Au\n0.338042 0.992753 0.784553 C\n0.007248 0.345289 0.784553 C\n0.007248 0.661959 0.215447 C\n0.338042 0.345289 0.215447 C\n0.654711 0.661959 0.784553 C\n0.654711 0.992753 0.215447 C\n0.242224 0.245918 0.339898 N\n0.754082 0.757777 0.660102 N\n0.242224 0.996307 0.660102 N\n0.754083 0.996307 0.339898 N\n0.003694 0.757777 0.339898 N\n0.003694 0.245918 0.660102 N\n",
"nsites": 17,
"nelements": 5,
"elements": [
"K",
"Ni",
"Au",
"C",
"N"
],
"chemical_system": "Au-C-K-N-Ni",
"density": 4.648037287005574,
"density_atomic": 0.05632713702208714,
"volume": 301.8083449427568,
"volume_molar": 10.691366681105384,
"formula_full": "K1 Ni1 Au3 C6 N6",
"formula_reduced": "KNiAu3(CN)6",
"formula_anonymous": "ABC3D6E6",
"energy_above_hull": 5.060275447647058,
"spacegroup": 149
},
{
"id": "jvasp-86062",
"created_at": "2022-09-04T14:35:42.984816Z",
"updated_at": "2022-09-04T14:35:42.984840Z",
"structure_string": "K1 Ni1 Au3 C6 N6\n1.0\n6.687148 0.000000 -0.000000\n-3.343574 5.791240 0.000000\n0.000000 0.000000 7.792918\nK Ni Au C N\n1 1 3 6 6\ndirect\n0.666667 0.333333 0.500000 K\n0.000000 0.000000 0.500000 Ni\n0.496594 0.503406 0.000000 Au\n0.006813 0.503406 0.000000 Au\n0.496595 0.993188 0.000000 Au\n0.338048 0.992730 0.784541 C\n0.007270 0.345317 0.784541 C\n0.007270 0.661952 0.215460 C\n0.338048 0.345317 0.215460 C\n0.654684 0.661952 0.784541 C\n0.654684 0.992730 0.215460 C\n0.242245 0.245936 0.339916 N\n0.754065 0.757756 0.660085 N\n0.242245 0.996308 0.660085 N\n0.754065 0.996308 0.339916 N\n0.003692 0.757756 0.339916 N\n0.003692 0.245936 0.660085 N\n",
"nsites": 17,
"nelements": 5,
"elements": [
"K",
"Ni",
"Au",
"C",
"N"
],
"chemical_system": "Au-C-K-N-Ni",
"density": 4.648236774143747,
"density_atomic": 0.05632955450255732,
"volume": 301.79539231449473,
"volume_molar": 10.69090784257241,
"formula_full": "K1 Ni1 Au3 C6 N6",
"formula_reduced": "KNiAu3(CN)6",
"formula_anonymous": "ABC3D6E6",
"energy_above_hull": 5.060283682941176,
"spacegroup": 149
},
{
"id": "jvasp-110481",
"created_at": "2022-09-04T14:38:38.892873Z",
"updated_at": "2022-09-04T14:38:38.892894Z",
"structure_string": "U3 Pt1\n1.0\n4.170513 -0.000000 2.407846\n1.390171 3.931997 2.407846\n0.000000 -0.000000 4.815693\nU Pt\n3 1\ndirect\n0.749999 0.750001 0.750001 U\n0.250000 0.250000 0.250000 U\n0.499999 0.500000 0.500001 U\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"U",
"Pt"
],
"chemical_system": "Pt-U",
"density": 19.11758778176677,
"density_atomic": 0.05065222662997156,
"volume": 78.9698748925906,
"volume_molar": 11.889192560069262,
"formula_full": "U3 Pt1",
"formula_reduced": "U3Pt",
"formula_anonymous": "AB3",
"energy_above_hull": 5.06038235,
"spacegroup": 225
},
{
"id": "jvasp-98567",
"created_at": "2022-09-04T14:37:52.293981Z",
"updated_at": "2022-09-04T14:37:52.294000Z",
"structure_string": "Ni2 H40 C16 N20\n1.0\n6.251049 0.000000 -0.847623\n0.000000 8.962333 0.000000\n-0.133913 0.000000 11.040738\nNi H C N\n2 40 16 20\ndirect\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 0.000000 Ni\n0.816555 0.913867 0.449649 H\n0.841678 0.698384 0.709691 H\n0.931546 0.412483 0.312517 H\n0.195527 0.660600 0.535672 H\n0.128415 0.013262 0.731493 H\n0.068455 0.912483 0.187483 H\n0.158322 0.301616 0.290310 H\n0.849678 0.783309 0.962335 H\n0.150323 0.283309 0.537665 H\n0.971181 0.159969 0.443511 H\n0.028820 0.659969 0.056489 H\n0.971181 0.340031 0.943511 H\n0.183446 0.086133 0.550351 H\n0.816555 0.586132 0.949649 H\n0.931546 0.087516 0.812518 H\n0.486555 0.815872 0.579811 H\n0.612583 0.081379 0.802789 H\n0.195527 0.839399 0.035671 H\n0.841678 0.801616 0.209691 H\n0.513446 0.315872 0.920189 H\n0.871585 0.513262 0.768508 H\n0.349471 0.467389 0.874420 H\n0.349471 0.032611 0.374420 H\n0.612583 0.418621 0.302789 H\n0.068455 0.587516 0.687483 H\n0.804474 0.160601 0.964329 H\n0.650529 0.532611 0.125580 H\n0.158323 0.198384 0.790310 H\n0.183446 0.413867 0.050351 H\n0.513446 0.184128 0.420189 H\n0.804473 0.339399 0.464329 H\n0.387418 0.581379 0.697211 H\n0.128415 0.486738 0.231493 H\n0.387418 0.918621 0.197211 H\n0.871585 0.986737 0.268508 H\n0.486554 0.684128 0.079811 H\n0.028820 0.840031 0.556489 H\n0.650530 0.967389 0.625580 H\n0.150323 0.216690 0.037665 H\n0.849678 0.716690 0.462335 H\n0.041840 0.385299 0.248481 C\n0.935940 0.824504 0.465152 C\n0.935940 0.675495 0.965152 C\n0.235843 0.771680 0.869934 C\n0.235842 0.728319 0.369934 C\n0.531343 0.109524 0.245884 C\n0.064061 0.324504 0.034848 C\n0.764158 0.271680 0.630066 C\n0.958161 0.885299 0.251520 C\n0.468658 0.609524 0.254116 C\n0.531343 0.390476 0.745884 C\n0.041840 0.114701 0.748481 C\n0.958161 0.614701 0.751520 C\n0.468658 0.890475 0.754116 C\n0.064061 0.175495 0.534849 C\n0.764158 0.228320 0.130066 C\n0.926049 0.165659 0.630717 N\n0.329651 0.778226 0.767701 N\n0.455333 0.489300 0.661752 N\n0.073951 0.834340 0.369284 N\n0.670350 0.221773 0.232299 N\n0.329650 0.721773 0.267701 N\n0.709569 0.354562 0.530293 N\n0.709569 0.145438 0.030293 N\n0.455333 0.010699 0.161751 N\n0.520951 0.595660 0.137399 N\n0.073952 0.665659 0.869284 N\n0.290431 0.645437 0.469708 N\n0.290432 0.854562 0.969708 N\n0.544668 0.989300 0.838249 N\n0.479049 0.404340 0.862602 N\n0.670350 0.278226 0.732300 N\n0.544667 0.510699 0.338249 N\n0.520952 0.904340 0.637399 N\n0.479049 0.095660 0.362601 N\n0.926049 0.334341 0.130717 N\n",
"nsites": 78,
"nelements": 4,
"elements": [
"Ni",
"H",
"C",
"N"
],
"chemical_system": "C-H-N-Ni",
"density": 1.6940999636202576,
"density_atomic": 0.12630989413251809,
"volume": 617.528820966046,
"volume_molar": 4.767750619505601,
"formula_full": "Ni2 H40 C16 N20",
"formula_reduced": "NiH20(C4N5)2",
"formula_anonymous": "AB8C10D20",
"energy_above_hull": 5.0606747410256405,
"spacegroup": 14
},
{
"id": "jvasp-20181",
"created_at": "2022-09-04T14:37:37.866380Z",
"updated_at": "2022-09-04T14:37:37.866404Z",
"structure_string": "Th4 Re8\n1.0\n2.706339 -4.687518 -0.000000\n2.706339 4.687518 0.000000\n0.000000 -0.000000 9.497563\nTh Re\n4 8\ndirect\n0.333333 0.666667 0.938538 Th\n0.666667 0.333333 0.438539 Th\n0.666667 0.333333 0.061461 Th\n0.333333 0.666667 0.561461 Th\n0.000000 0.000000 0.000000 Re\n0.000000 0.000000 0.500000 Re\n0.830538 0.169462 0.750000 Re\n0.169462 0.338923 0.250000 Re\n0.661078 0.830538 0.250000 Re\n0.338923 0.169462 0.750000 Re\n0.830538 0.661078 0.750000 Re\n0.169462 0.830538 0.250000 Re\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Th",
"Re"
],
"chemical_system": "Re-Th",
"density": 16.661098335922613,
"density_atomic": 0.0497982318547156,
"volume": 240.9724111291648,
"volume_molar": 12.093081492470175,
"formula_full": "Th4 Re8",
"formula_reduced": "ThRe2",
"formula_anonymous": "AB2",
"energy_above_hull": 5.061710533333333,
"spacegroup": 194
},
{
"id": "jvasp-75619",
"created_at": "2022-09-04T14:35:50.415824Z",
"updated_at": "2022-09-04T14:35:50.415856Z",
"structure_string": "Ta2 Mn1 As1\n1.0\n-0.000000 3.165817 3.165817\n3.165817 -0.000000 3.165817\n3.165817 3.165817 -0.000000\nTa Mn As\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 Ta\n0.750001 0.750001 0.750001 Mn\n0.500000 0.500000 0.500000 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Mn",
"As"
],
"chemical_system": "As-Mn-Ta",
"density": 12.86799321547632,
"density_atomic": 0.06303366729165145,
"volume": 63.45815136365679,
"volume_molar": 9.553847997033179,
"formula_full": "Ta2 Mn1 As1",
"formula_reduced": "Ta2MnAs",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.062926847844827,
"spacegroup": 216
},
{
"id": "jvasp-88373",
"created_at": "2022-09-04T14:35:57.408145Z",
"updated_at": "2022-09-04T14:35:57.408163Z",
"structure_string": "Li2 Al2 B28\n1.0\n5.349581 0.000000 2.374575\n2.044597 6.395942 2.607025\n0.004477 0.002044 7.203124\nLi Al B\n2 2 28\ndirect\n0.750001 0.601236 0.898762 Li\n0.250000 0.398764 0.101236 Li\n0.000000 -0.000000 0.500000 Al\n0.500000 -0.000000 0.499999 Al\n0.830869 0.963525 0.876893 B\n0.350799 0.029429 0.268972 B\n0.149202 0.231027 0.470570 B\n0.666632 0.365587 0.301149 B\n0.333369 0.634412 0.698849 B\n0.833368 0.198850 0.134412 B\n0.166633 0.801149 0.865586 B\n0.585198 0.245301 0.584303 B\n0.414804 0.754698 0.415695 B\n0.914804 0.915695 0.254697 B\n0.085198 0.084304 0.745301 B\n0.278432 0.398219 0.726934 B\n0.403587 0.601780 0.273064 B\n0.850800 0.768972 0.529428 B\n0.221569 0.773064 0.101779 B\n0.596414 0.398219 0.726934 B\n0.096414 0.226935 0.898219 B\n0.778432 0.226935 0.898219 B\n0.903587 0.773064 0.101779 B\n0.171290 0.623104 0.536474 B\n0.330868 0.376895 0.463525 B\n0.328712 0.963525 0.876894 B\n0.169132 0.036474 0.123105 B\n0.828711 0.376895 0.463524 B\n0.669133 0.623104 0.536473 B\n0.671289 0.036474 0.123105 B\n0.649203 0.970570 0.731026 B\n0.721569 0.601780 0.273064 B\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Li",
"Al",
"B"
],
"chemical_system": "Al-B-Li",
"density": 2.4975082693946176,
"density_atomic": 0.1298845193581872,
"volume": 246.37270213667614,
"volume_molar": 4.636534661526927,
"formula_full": "Li2 Al2 B28",
"formula_reduced": "LiAlB14",
"formula_anonymous": "ABC14",
"energy_above_hull": 5.063416810416667,
"spacegroup": 74
},
{
"id": "jvasp-110991",
"created_at": "2022-09-04T14:38:37.073380Z",
"updated_at": "2022-09-04T14:38:37.073406Z",
"structure_string": "Ta1 V1 N2\n1.0\n3.046206 -0.000000 0.000000\n0.000000 3.046206 0.000000\n0.000000 -0.000000 4.283823\nTa V N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500001 0.500001 0.500000 V\n0.000000 0.000000 0.500000 N\n0.500001 0.500001 -0.000000 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"V",
"N"
],
"chemical_system": "N-Ta-V",
"density": 10.857003196255912,
"density_atomic": 0.10062593636315513,
"volume": 39.75118289149781,
"volume_molar": 5.984680468727592,
"formula_full": "Ta1 V1 N2",
"formula_reduced": "TaVN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.063814975,
"spacegroup": 123
},
{
"id": "jvasp-112207",
"created_at": "2022-09-04T14:38:44.863230Z",
"updated_at": "2022-09-04T14:38:44.863258Z",
"structure_string": "H26 C18\n1.0\n6.331047 0.013689 2.420651\n1.574676 6.499890 3.247704\n0.039510 -0.022210 8.246765\nH C\n26 18\ndirect\n0.504202 0.082493 0.103935 H\n0.861396 0.566682 0.768405 H\n0.138605 0.433319 0.231595 H\n0.726799 0.877074 0.317347 H\n0.273202 0.122926 0.682653 H\n0.252027 0.376952 0.658638 H\n0.943971 0.675106 0.401961 H\n0.056030 0.324895 0.598039 H\n0.093227 0.819940 0.557532 H\n0.906774 0.180060 0.442468 H\n0.328961 0.712876 0.413198 H\n0.671040 0.287124 0.586801 H\n0.288677 0.966412 0.401643 H\n0.747974 0.623048 0.341362 H\n0.977533 0.860374 0.823523 H\n0.711324 0.033589 0.598356 H\n0.495799 0.917507 0.896064 H\n0.661680 0.217238 0.886622 H\n0.373153 0.285197 0.932082 H\n0.626848 0.714804 0.067917 H\n0.338321 0.782762 0.113378 H\n-0.000566 0.624928 0.012785 H\n0.942490 0.165338 0.983356 H\n0.057511 0.834662 0.016644 H\n0.022468 0.139627 0.176477 H\n0.000567 0.375072 0.987215 H\n0.267973 0.811300 0.497705 C\n0.631003 0.679221 0.599635 C\n0.732028 0.188701 0.502295 C\n0.075541 0.755532 0.924351 C\n0.924460 0.244468 0.075649 C\n0.489553 0.765963 0.005202 C\n0.510448 0.234037 0.994798 C\n0.368999 0.320779 0.400364 C\n0.501223 0.388181 0.077650 C\n0.609289 0.271319 0.356023 C\n0.309603 0.694495 0.828864 C\n0.690398 0.305505 0.171135 C\n0.498778 0.611819 0.922349 C\n0.694349 0.610981 0.758174 C\n0.305652 0.389019 0.241826 C\n0.229312 0.285478 0.594280 C\n0.390713 0.728681 0.643976 C\n0.770689 0.714523 0.405719 C\n",
"nsites": 44,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.1875718297142575,
"density_atomic": 0.12981729954019028,
"volume": 338.93787773930694,
"volume_molar": 4.638935474185858,
"formula_full": "H26 C18",
"formula_reduced": "H13C9",
"formula_anonymous": "A9B13",
"energy_above_hull": 5.064008181818181,
"spacegroup": 2
},
{
"id": "jvasp-35107",
"created_at": "2022-09-04T14:37:38.801812Z",
"updated_at": "2022-09-04T14:37:38.801849Z",
"structure_string": "Al1 B3 N4\n1.0\n3.841200 0.000000 0.000000\n0.000000 3.841200 -0.000000\n0.000000 0.000000 3.841200\nAl B N\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 B\n0.500000 0.000000 0.500000 B\n0.000000 0.500000 0.500000 B\n0.731522 0.731522 0.268478 N\n0.731522 0.268478 0.731522 N\n0.268478 0.731522 0.731522 N\n0.268478 0.268478 0.268478 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Al",
"B",
"N"
],
"chemical_system": "Al-B-N",
"density": 3.3822810382184714,
"density_atomic": 0.14115271188700176,
"volume": 56.67620475052801,
"volume_molar": 4.266401034378254,
"formula_full": "Al1 B3 N4",
"formula_reduced": "AlB3N4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 5.06424169375,
"spacegroup": 215
}
]
}