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=115",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=113",
"results": [
{
"id": "jvasp-101175",
"created_at": "2022-09-04T14:37:01.135193Z",
"updated_at": "2022-09-04T14:37:01.135212Z",
"structure_string": "La1 Nd1 Cu1 O4\n1.0\n3.805125 -0.011443 -5.662493\n-0.362927 3.787795 -5.662493\n0.010431 0.011443 6.822221\nLa Nd Cu O\n1 1 1 4\ndirect\n0.350343 0.350343 0.000001 La\n0.647857 0.647858 0.000002 Nd\n0.002849 0.002849 0.000000 Cu\n0.747442 0.247442 0.500001 O\n0.247441 0.747443 0.500001 O\n0.002034 0.502034 0.500000 O\n0.502035 0.002034 0.500001 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"La",
"Nd",
"Cu",
"O"
],
"chemical_system": "Cu-La-Nd-O",
"density": 6.902862150945854,
"density_atomic": 0.07085375699541412,
"volume": 98.79504343648372,
"volume_molar": 8.49939511378313,
"formula_full": "La1 Nd1 Cu1 O4",
"formula_reduced": "LaNdCuO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.6684815642857145,
"spacegroup": 107
},
{
"id": "jvasp-104808",
"created_at": "2022-09-04T14:36:55.319585Z",
"updated_at": "2022-09-04T14:36:55.319614Z",
"structure_string": "K2 Ce1 Ag1 Br6\n1.0\n6.943457 -0.000000 4.008807\n2.314486 6.546354 4.008807\n-0.000000 -0.000000 8.017614\nK Ce Ag Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Ag\n0.753194 0.246807 0.246807 Br\n0.246807 0.246807 0.753193 Br\n0.246808 0.753193 0.753193 Br\n0.246808 0.753193 0.246807 Br\n0.753194 0.246807 0.753193 Br\n0.753194 0.753193 0.246807 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Ce",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-Ce-K",
"density": 3.670715808098686,
"density_atomic": 0.02743971646391214,
"volume": 364.4352525709108,
"volume_molar": 21.946803888881767,
"formula_full": "K2 Ce1 Ag1 Br6",
"formula_reduced": "K2CeAgBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-103927",
"created_at": "2022-09-04T14:36:40.651475Z",
"updated_at": "2022-09-04T14:36:40.651498Z",
"structure_string": "Zn1 H14 C9 O4\n1.0\n4.400044 0.026141 -0.398942\n2.131328 4.367010 0.426338\n0.020921 -0.153837 11.878440\nZn H C O\n1 14 9 4\ndirect\n0.649149 0.067287 0.836342 Zn\n0.147701 0.786205 0.433168 H\n0.809626 0.211050 0.209186 H\n0.485058 0.141282 0.139670 H\n0.556545 0.272746 0.391769 H\n0.220833 0.203593 0.331574 H\n0.805963 0.734764 0.367136 H\n0.285547 0.321695 0.578636 H\n0.815366 0.332291 0.012046 H\n0.612440 0.694501 0.062566 H\n0.375666 0.731656 0.242509 H\n0.050261 0.652853 0.180387 H\n0.933196 0.833866 0.631210 H\n0.572660 0.856108 0.549064 H\n0.926264 0.294490 0.513821 H\n0.281153 0.575448 0.958434 C\n0.588207 0.485996 0.046151 C\n0.556824 0.325009 0.158508 C\n0.306239 0.543447 0.228879 C\n0.032473 0.456551 0.530102 C\n0.060435 0.610288 0.416735 C\n0.811303 0.692718 0.601785 C\n0.704378 0.569054 0.703904 C\n0.298440 0.387120 0.344578 C\n0.260961 0.381346 0.895287 O\n0.547634 0.749899 0.773836 O\n0.759578 0.288510 0.712426 O\n0.040877 0.844761 0.955911 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 1.8322091029294376,
"density_atomic": 0.12278606030815953,
"volume": 228.03891524597853,
"volume_molar": 4.904580165603546,
"formula_full": "Zn1 H14 C9 O4",
"formula_reduced": "ZnH14C9O4",
"formula_anonymous": "AB4C9D14",
"energy_above_hull": 4.493402657142858,
"spacegroup": 1
},
{
"id": "jvasp-44474",
"created_at": "2022-09-04T14:36:56.333353Z",
"updated_at": "2022-09-04T14:36:56.333371Z",
"structure_string": "Li4 Ni4 Bi2 O12\n1.0\n5.345840 0.038443 0.000000\n2.692600 4.679543 0.000000\n0.000000 0.000000 9.961409\nLi Ni Bi O\n4 4 2 12\ndirect\n0.500000 0.151127 0.750000 Li\n0.500000 0.348872 0.250000 Li\n0.500000 0.651127 0.750000 Li\n0.500000 0.848872 0.250000 Li\n0.328074 0.335963 0.000000 Ni\n0.328074 0.835963 0.500000 Ni\n0.671927 0.164036 0.500000 Ni\n0.671927 0.664036 0.000000 Ni\n0.000000 0.000000 0.000000 Bi\n0.000000 0.500000 0.500000 Bi\n0.623747 0.344230 0.888799 O\n0.623746 0.032024 0.111201 O\n0.376254 0.655769 0.111201 O\n0.376254 0.467975 0.611201 O\n0.376254 0.155769 0.388799 O\n0.000000 0.136038 0.599969 O\n0.376254 0.967975 0.888799 O\n0.000000 0.636038 0.900031 O\n0.000000 0.363961 0.099969 O\n0.623747 0.532023 0.388799 O\n0.000000 0.863961 0.400031 O\n0.623747 0.844230 0.611201 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Ni",
"Bi",
"O"
],
"chemical_system": "Bi-Li-Ni-O",
"density": 5.838089317929019,
"density_atomic": 0.08865092328630433,
"volume": 248.164364052357,
"volume_molar": 6.793094236087172,
"formula_full": "Li4 Ni4 Bi2 O12",
"formula_reduced": "Li2Ni2BiO6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 1.9552745545454544,
"spacegroup": 64
},
{
"id": "jvasp-106809",
"created_at": "2022-09-04T14:36:56.091752Z",
"updated_at": "2022-09-04T14:36:56.091773Z",
"structure_string": "Fe1 Co1 Bi2 O6\n1.0\n3.699363 -0.000000 0.000000\n0.000000 3.699363 0.000000\n-0.000000 -0.000000 9.453239\nFe Co Bi O\n1 1 2 6\ndirect\n0.500000 0.500000 0.791985 Fe\n0.500000 0.500000 0.293536 Co\n0.000000 0.000000 0.014841 Bi\n0.000000 0.000000 0.507416 Bi\n0.500000 0.500000 0.097770 O\n0.500000 0.500000 0.597984 O\n-0.000000 0.500000 0.359025 O\n-0.000000 0.500000 0.861109 O\n0.500000 0.000000 0.359025 O\n0.500000 0.000000 0.861109 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Fe",
"Co",
"Bi",
"O"
],
"chemical_system": "Bi-Co-Fe-O",
"density": 8.070166077196612,
"density_atomic": 0.0772975030143643,
"volume": 129.37028506783312,
"volume_molar": 7.790860668398172,
"formula_full": "Fe1 Co1 Bi2 O6",
"formula_reduced": "FeCo(BiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.6295996,
"spacegroup": 99
},
{
"id": "jvasp-28455",
"created_at": "2022-09-04T14:36:47.825440Z",
"updated_at": "2022-09-04T14:36:47.825463Z",
"structure_string": "Te2 Mo1 W2 Se4\n1.0\n3.401680 0.000000 -0.000000\n-1.700840 2.945929 -0.000000\n-0.000000 -0.000000 29.644711\nTe Mo W Se\n2 1 2 4\ndirect\n0.333113 0.666228 0.410275 Te\n0.333113 0.666228 0.283690 Te\n0.666449 0.332898 0.346982 Mo\n0.333432 0.666863 0.113405 W\n0.333432 0.666863 0.580560 W\n0.666761 0.333523 0.057602 Se\n0.666770 0.333539 0.524658 Se\n0.666770 0.333539 0.169307 Se\n0.666761 0.333523 0.636362 Se\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"Se"
],
"chemical_system": "Mo-Se-Te-W",
"density": 5.783407633632016,
"density_atomic": 0.030295599877064785,
"volume": 297.07284346640154,
"volume_molar": 19.87793865920129,
"formula_full": "Te2 Mo1 W2 Se4",
"formula_reduced": "Te2Mo(WSe2)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 3.8031927666666663,
"spacegroup": 187
},
{
"id": "jvasp-104687",
"created_at": "2022-09-04T14:36:50.010725Z",
"updated_at": "2022-09-04T14:36:50.010750Z",
"structure_string": "Ta1 Mn2 Fe1 O6\n1.0\n4.645795 0.045963 3.124299\n1.687900 4.328569 3.124299\n0.066548 0.045963 5.598234\nTa Mn Fe O\n1 2 1 6\ndirect\n0.782632 0.782631 0.782633 Ta\n0.485006 0.485006 0.485007 Mn\n0.986463 0.986462 0.986464 Mn\n0.277020 0.277019 0.277020 Fe\n0.690165 0.063905 0.400121 O\n0.063906 0.400120 0.690165 O\n0.400120 0.690165 0.063906 O\n0.179908 0.880900 0.582678 O\n0.880900 0.582678 0.179909 O\n0.582679 0.179907 0.880900 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ta",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Mn-O-Ta",
"density": 6.632408190531463,
"density_atomic": 0.09022909498197301,
"volume": 110.82899592418512,
"volume_molar": 6.6742781374490905,
"formula_full": "Ta1 Mn2 Fe1 O6",
"formula_reduced": "TaMn2FeO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 3.7662220182758617,
"spacegroup": 146
},
{
"id": "jvasp-104018",
"created_at": "2022-09-04T14:37:00.583152Z",
"updated_at": "2022-09-04T14:37:00.583174Z",
"structure_string": "H16 Pb2 C12 O8\n1.0\n4.516236 -0.096829 -0.274757\n-1.852455 7.674776 -0.435164\n-0.097144 -0.119935 10.433766\nH Pb C O\n16 2 12 8\ndirect\n0.705154 0.823242 0.693314 H\n0.079190 0.134920 0.299205 H\n0.092344 0.645724 0.289072 H\n0.096609 0.353149 0.345060 H\n0.095858 0.857514 0.347652 H\n0.636153 0.897357 0.455871 H\n0.620724 0.177749 0.402480 H\n0.618980 0.679110 0.400875 H\n0.631634 0.397110 0.451880 H\n0.178486 0.789851 0.581537 H\n0.165857 0.071844 0.530517 H\n0.161304 0.571605 0.526538 H\n0.700898 0.115790 0.637300 H\n0.701608 0.611443 0.634733 H\n0.718369 0.334028 0.683155 H\n0.176789 0.291205 0.579921 H\n0.941933 0.490445 0.989186 Pb\n0.855636 0.978549 0.993222 Pb\n0.240758 0.264346 0.318879 C\n0.362506 0.324818 0.193469 C\n0.392251 0.852104 0.201892 C\n0.476799 0.264840 0.430720 C\n0.477943 0.766713 0.431641 C\n0.248558 0.775372 0.319052 C\n0.405291 0.616870 0.780517 C\n0.319517 0.702248 0.550765 C\n0.556783 0.204605 0.663499 C\n0.548931 0.693593 0.663345 C\n0.435132 0.144149 0.788928 C\n0.320701 0.204111 0.551673 C\n0.228365 0.822542 0.091881 O\n0.131226 0.524181 0.768624 O\n0.182709 0.031928 0.789632 O\n0.569199 0.646487 0.890524 O\n0.615751 0.203771 0.893891 O\n0.666350 0.944742 0.213796 O\n0.614991 0.436997 0.192799 O\n0.181938 0.265247 0.088484 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"H",
"Pb",
"C",
"O"
],
"chemical_system": "C-H-O-Pb",
"density": 3.247650551493625,
"density_atomic": 0.10577044847657294,
"volume": 359.26859106035283,
"volume_molar": 5.693594805295585,
"formula_full": "H16 Pb2 C12 O8",
"formula_reduced": "H8Pb(C3O2)2",
"formula_anonymous": "AB4C6D8",
"energy_above_hull": 4.394828148421052,
"spacegroup": 2
},
{
"id": "jvasp-104541",
"created_at": "2022-09-04T14:36:49.096995Z",
"updated_at": "2022-09-04T14:36:49.097016Z",
"structure_string": "Rb2 Li1 Al1 F6\n1.0\n4.958634 -0.000000 2.862869\n1.652878 4.675045 2.862869\n-0.000000 -0.000000 5.725737\nRb Li Al F\n2 1 1 6\ndirect\n0.750000 0.749999 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.499999 0.500001 Li\n0.000000 0.000000 0.000000 Al\n0.771355 0.228644 0.228645 F\n0.228645 0.228644 0.771356 F\n0.228645 0.771355 0.771356 F\n0.228645 0.771355 0.228645 F\n0.771355 0.228644 0.771356 F\n0.771355 0.771355 0.228646 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Al",
"F"
],
"chemical_system": "Al-F-Li-Rb",
"density": 3.9889106575444044,
"density_atomic": 0.07533915672331755,
"volume": 132.7331023457685,
"volume_molar": 7.99337425837704,
"formula_full": "Rb2 Li1 Al1 F6",
"formula_reduced": "Rb2LiAlF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-103886",
"created_at": "2022-09-04T14:36:56.410173Z",
"updated_at": "2022-09-04T14:36:56.410193Z",
"structure_string": "Ti1 H6 C4 O4\n1.0\n4.932412 0.094216 -1.962445\n-1.130246 4.716674 -2.607193\n0.127970 0.210108 6.133743\nTi H C O\n1 6 4 4\ndirect\n0.522916 0.007834 0.251904 Ti\n0.873149 0.175562 0.728960 H\n-0.011366 0.874432 0.540331 H\n0.043751 0.187881 0.524713 H\n0.057335 0.585720 0.963244 H\n0.002120 0.914733 0.978942 H\n0.172805 0.698670 0.774700 H\n0.905878 0.056930 0.544820 C\n0.140047 0.763866 0.958812 C\n0.464551 0.548865 0.358202 C\n0.581284 0.442715 0.145589 C\n0.419538 0.370620 0.430948 O\n0.421443 0.790669 0.440573 O\n0.626311 0.191843 0.072866 O\n0.624380 0.602253 0.063202 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Ti",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Ti",
"density": 1.8661130916858046,
"density_atomic": 0.10157566515690918,
"volume": 147.67316538689386,
"volume_molar": 5.928723922897564,
"formula_full": "Ti1 H6 C4 O4",
"formula_reduced": "TiH6(CO)4",
"formula_anonymous": "AB4C4D6",
"energy_above_hull": 4.346486822222222,
"spacegroup": 5
},
{
"id": "jvasp-101947",
"created_at": "2022-09-04T14:36:44.689260Z",
"updated_at": "2022-09-04T14:36:44.689279Z",
"structure_string": "Cd1 H4 C4 O4\n1.0\n3.473569 0.021861 0.823857\n1.527602 4.764562 1.136806\n0.071083 -0.114394 7.167955\nCd H C O\n1 4 4 4\ndirect\n0.666403 0.239554 0.728428 Cd\n0.133436 0.976990 0.250497 H\n0.604315 0.027150 0.170926 H\n0.415354 0.488125 0.205474 H\n0.851351 0.454251 0.286783 H\n0.497199 0.880897 0.469929 C\n0.452357 0.879723 0.264649 C\n0.639198 0.595189 0.192481 C\n0.886264 0.599011 0.987773 C\n0.335032 0.124274 0.532176 O\n0.705093 0.668224 0.564289 O\n-0.029147 0.814126 0.896627 O\n0.031395 0.357284 0.923313 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 3.2038670359468435,
"density_atomic": 0.10977780487412098,
"volume": 118.42102340183175,
"volume_molar": 5.48575439899296,
"formula_full": "Cd1 H4 C4 O4",
"formula_reduced": "CdH4(CO)4",
"formula_anonymous": "AB4C4D4",
"energy_above_hull": 3.930437980769232,
"spacegroup": 5
},
{
"id": "jvasp-104002",
"created_at": "2022-09-04T14:36:51.255872Z",
"updated_at": "2022-09-04T14:36:51.255887Z",
"structure_string": "Sn2 H8 C4 F4\n1.0\n4.301360 0.113928 0.526829\n1.627895 5.544948 1.589978\n-0.090953 -0.138611 7.186864\nSn H C F\n2 8 4 4\ndirect\n0.577490 0.622511 0.459462 Sn\n0.077490 0.122512 0.959462 Sn\n0.168221 0.462753 0.115120 H\n0.536285 0.327916 0.255191 H\n0.904442 0.205187 0.377837 H\n0.798447 0.585980 0.991927 H\n0.668222 0.962754 0.615120 H\n0.404443 0.705187 0.877836 H\n0.036283 0.827916 0.755190 H\n0.298445 0.085982 0.491926 H\n0.758113 0.364730 0.278771 C\n0.942646 0.429856 0.094220 C\n0.442649 0.929855 0.594219 C\n0.258115 0.864731 0.778771 C\n0.192203 0.856288 0.217849 F\n0.132342 0.542930 0.531197 F\n0.692202 0.356288 0.717849 F\n0.632341 0.042930 0.031197 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"F"
],
"chemical_system": "C-F-H-Sn",
"density": 3.585004992929912,
"density_atomic": 0.1051659870304502,
"volume": 171.15799992242933,
"volume_molar": 5.7263198207385475,
"formula_full": "Sn2 H8 C4 F4",
"formula_reduced": "SnH4(CF)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 2.8711091405555558,
"spacegroup": 8
}
]
}