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=91",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=89",
"results": [
{
"id": "jvasp-81471",
"created_at": "2022-09-04T14:37:11.379537Z",
"updated_at": "2022-09-04T14:37:11.379558Z",
"structure_string": "Mn1 Tc2 Mo1\n1.0\n-9.111940 -0.000001 -5.260780\n-5.804900 0.092207 -0.467180\n-5.015737 2.324279 -1.834051\nMn Tc Mo\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.789301 0.000000 0.000000 Tc\n0.210699 0.000000 0.000000 Tc\n0.500000 0.000000 0.000000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Tc",
"Mo"
],
"chemical_system": "Mn-Mo-Tc",
"density": 9.569265072061874,
"density_atomic": 0.06645270530583505,
"volume": 60.193185237392726,
"volume_molar": 9.062295857308325,
"formula_full": "Mn1 Tc2 Mo1",
"formula_reduced": "MnTc2Mo",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.406754035344827,
"spacegroup": 71
},
{
"id": "jvasp-112212",
"created_at": "2022-09-04T14:38:44.407386Z",
"updated_at": "2022-09-04T14:38:44.407418Z",
"structure_string": "H26 C24\n1.0\n5.128674 0.064013 -0.567382\n-1.752537 7.348335 -1.191701\n0.039688 0.021514 10.301145\nH C\n26 24\ndirect\n0.488188 0.666319 0.148410 H\n0.234324 0.474517 0.905455 H\n0.493464 0.669454 0.917132 H\n0.506535 0.330544 0.082869 H\n0.890317 0.648646 0.870141 H\n0.109682 0.351353 0.129860 H\n0.107656 0.750106 0.018593 H\n0.892342 0.249892 0.981407 H\n0.352789 0.981350 0.901150 H\n0.647209 0.018648 0.098850 H\n0.009154 0.982795 0.883284 H\n0.990845 0.017203 0.116717 H\n0.190574 0.991072 0.669403 H\n0.765675 0.525481 0.094545 H\n0.938679 0.791464 0.657065 H\n0.809425 0.008926 0.330598 H\n0.226581 0.884089 0.235615 H\n0.773417 0.115909 0.764386 H\n0.163010 0.925726 0.470985 H\n0.836988 0.074273 0.529015 H\n0.511811 0.333679 0.851590 H\n0.079490 0.491184 0.673222 H\n0.458889 0.181194 0.291281 H\n0.541110 0.818805 0.708720 H\n0.061319 0.208534 0.342936 H\n0.920509 0.508815 0.326778 H\n0.095938 0.723055 0.909814 C\n0.715557 0.434976 0.282354 C\n0.904061 0.276943 0.090186 C\n0.152943 0.899812 0.855579 C\n0.847055 0.100187 0.144421 C\n0.142673 0.861598 0.704569 C\n0.857326 0.138401 0.295431 C\n0.337407 0.742632 0.662495 C\n0.662591 0.257366 0.337506 C\n0.284442 0.565023 0.717646 C\n0.654170 0.293603 0.486057 C\n0.555947 0.327143 0.750235 C\n0.740057 0.180890 0.568195 C\n0.259941 0.819108 0.431805 C\n0.700017 0.201958 0.700768 C\n0.299981 0.798040 0.299233 C\n0.444052 0.672855 0.249765 C\n0.468126 0.442779 0.671166 C\n0.531873 0.557219 0.328834 C\n0.534536 0.434506 0.540651 C\n0.465462 0.565493 0.459350 C\n0.711653 0.397206 0.131053 C\n0.345828 0.706395 0.513943 C\n0.288346 0.602794 0.868947 C\n",
"nsites": 50,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.3399759940964189,
"density_atomic": 0.1283063173657153,
"volume": 389.69242533462733,
"volume_molar": 4.693565276941832,
"formula_full": "H26 C24",
"formula_reduced": "H13C12",
"formula_anonymous": "A12B13",
"energy_above_hull": 5.4065868,
"spacegroup": 2
},
{
"id": "jvasp-116487",
"created_at": "2022-09-04T14:38:43.283523Z",
"updated_at": "2022-09-04T14:38:43.283551Z",
"structure_string": "U4 Si10 Os6\n1.0\n7.657862 0.000092 2.744234\n-1.409228 7.527080 2.744234\n-0.000434 -0.000523 5.799058\nU Si Os\n4 10 6\ndirect\n0.869170 0.594532 0.761377 U\n0.405468 0.130830 0.738622 U\n0.130830 0.405468 0.238622 U\n0.594532 0.869170 0.261377 U\n0.223351 0.776649 0.250000 Si\n0.776649 0.223351 0.750000 Si\n0.484648 0.515352 0.250000 Si\n0.515352 0.484648 0.750000 Si\n0.795194 0.204806 0.250000 Si\n0.261927 0.064390 0.336271 Si\n0.935609 0.738073 0.163729 Si\n0.738073 0.935610 0.663729 Si\n0.064391 0.261927 0.836271 Si\n0.204806 0.795195 0.749999 Si\n0.999772 0.000228 0.750000 Os\n0.252645 0.542876 0.636572 Os\n0.457125 0.747355 0.863427 Os\n0.747355 0.457124 0.363427 Os\n0.542875 0.252645 0.136572 Os\n0.000228 0.999772 0.249999 Os\n",
"nsites": 20,
"nelements": 3,
"elements": [
"U",
"Si",
"Os"
],
"chemical_system": "Os-Si-U",
"density": 11.79431986606271,
"density_atomic": 0.0598286143839643,
"volume": 334.2882031605356,
"volume_molar": 10.065653069201112,
"formula_full": "U4 Si10 Os6",
"formula_reduced": "U2Si5Os3",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 5.4060310000000005,
"spacegroup": 15
},
{
"id": "jvasp-121995",
"created_at": "2022-09-04T14:38:50.880621Z",
"updated_at": "2022-09-04T14:38:50.880645Z",
"structure_string": "Nb8 B8 Os4\n1.0\n5.941985 0.000000 0.000000\n0.000000 5.941985 0.000000\n0.000000 0.000000 6.912102\nNb B Os\n8 8 4\ndirect\n0.664514 0.812938 0.500000 Nb\n0.335485 0.187061 0.500000 Nb\n0.835485 0.312939 -0.000000 Nb\n0.164515 0.687060 -0.000000 Nb\n0.812938 0.335485 0.500000 Nb\n0.187061 0.664514 0.500000 Nb\n0.312939 0.164515 -0.000000 Nb\n0.687060 0.835485 -0.000000 Nb\n0.612797 0.112798 0.750000 B\n0.387202 0.887201 0.750000 B\n0.112798 0.387202 0.250000 B\n0.887201 0.612797 0.250000 B\n0.612797 0.112798 0.250000 B\n0.112798 0.387202 0.750000 B\n0.387202 0.887201 0.250000 B\n0.887201 0.612797 0.750000 B\n0.500000 0.500000 0.779289 Os\n0.500000 0.500000 0.220711 Os\n0.000000 0.000000 0.720710 Os\n0.000000 0.000000 0.279289 Os\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Nb",
"B",
"Os"
],
"chemical_system": "B-Nb-Os",
"density": 10.823131993253403,
"density_atomic": 0.08195147132217051,
"volume": 244.04686916938067,
"volume_molar": 7.348422990876575,
"formula_full": "Nb8 B8 Os4",
"formula_reduced": "Nb2B2Os",
"formula_anonymous": "AB2C2",
"energy_above_hull": 5.405519793333333,
"spacegroup": 128
},
{
"id": "jvasp-101830",
"created_at": "2022-09-04T14:36:38.541923Z",
"updated_at": "2022-09-04T14:36:38.541943Z",
"structure_string": "H14 C16 S2 N2\n1.0\n6.249302 0.082152 -0.229426\n-2.997568 6.024268 -0.374806\n-0.192560 0.132657 9.504110\nH C S N\n14 16 2 2\ndirect\n0.680835 0.337072 0.057473 H\n0.156450 0.131652 0.689601 H\n0.156449 0.131652 0.189601 H\n0.346900 0.250592 0.381679 H\n0.516245 0.649283 0.567989 H\n0.516245 0.649283 0.067989 H\n0.179730 0.560054 0.385583 H\n0.346900 0.250591 0.881679 H\n0.864594 0.234858 0.731864 H\n0.864593 0.234859 0.231864 H\n0.692136 -0.028102 0.793621 H\n0.692135 -0.028102 0.293621 H\n0.680836 0.337072 0.557473 H\n0.179731 0.560055 0.885583 H\n0.792912 0.056485 0.705689 C\n0.011144 0.842967 0.284657 C\n0.011146 0.842967 0.784657 C\n0.384830 0.116415 0.417861 C\n0.384829 0.116416 0.917860 C\n0.573272 0.165997 0.519507 C\n0.573271 0.165998 0.019507 C\n0.792916 0.056484 0.205689 C\n0.292554 0.730480 0.922627 C\n0.237791 0.897047 0.869740 C\n0.619581 -0.001353 0.576654 C\n0.619579 -0.001354 0.076654 C\n0.292555 0.730480 0.422628 C\n0.479483 0.779904 0.524570 C\n0.479482 0.779903 0.024569 C\n0.237789 0.897046 0.369739 C\n0.774016 0.606312 0.802245 S\n0.774017 0.606313 0.302245 S\n-0.001182 0.003691 0.206679 N\n-0.001182 0.003691 0.706678 N\n",
"nsites": 34,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"N"
],
"chemical_system": "C-H-N-S",
"density": 1.3754213229034546,
"density_atomic": 0.0943689806354327,
"volume": 360.2878803083524,
"volume_molar": 6.381483321585089,
"formula_full": "H14 C16 S2 N2",
"formula_reduced": "H7C8SN",
"formula_anonymous": "ABC7D8",
"energy_above_hull": 5.40474725,
"spacegroup": 1
},
{
"id": "jvasp-104142",
"created_at": "2022-09-04T14:36:38.147126Z",
"updated_at": "2022-09-04T14:36:38.147149Z",
"structure_string": "H14 C16 S2 N2\n1.0\n5.738730 0.142826 -0.098870\n3.242388 5.728443 -0.495043\n0.421540 0.286616 10.477452\nH C S N\n14 16 2 2\ndirect\n0.727713 0.687038 0.010094 H\n0.442421 0.028115 0.700425 H\n0.942424 0.028114 0.200425 H\n0.376320 0.384775 0.673072 H\n0.649712 0.500642 0.386292 H\n0.149713 0.500642 0.886292 H\n0.792649 0.205103 0.551518 H\n0.876321 0.384775 0.173073 H\n0.086270 0.777567 0.319392 H\n0.586270 0.777567 0.819391 H\n-0.006468 0.603156 0.233134 H\n0.493531 0.603157 0.733134 H\n0.227713 0.687038 0.510094 H\n0.292649 0.205101 0.051519 H\n0.096883 0.275620 0.622075 C\n0.210470 0.418072 0.612215 C\n0.710469 0.418075 0.112214 C\n0.127753 0.585170 0.520330 C\n0.627757 0.585169 0.020332 C\n0.924479 0.735063 0.314262 C\n0.424480 0.735062 0.814263 C\n0.596885 0.275617 0.122076 C\n0.303329 0.482158 0.951695 C\n0.432569 0.611863 0.934141 C\n0.882487 0.315091 0.545216 C\n0.382488 0.315095 0.045215 C\n0.803330 0.482161 0.451693 C\n0.669903 0.952067 0.271126 C\n0.169902 0.952068 0.771126 C\n0.932569 0.611861 0.434142 C\n0.354535 0.017255 0.305605 S\n0.854535 0.017255 0.805605 S\n0.741312 0.079166 0.198738 N\n0.241316 0.079164 0.698739 N\n",
"nsites": 34,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"N"
],
"chemical_system": "C-H-N-S",
"density": 1.4552892930033086,
"density_atomic": 0.0998487989269174,
"volume": 340.51486212553954,
"volume_molar": 6.031260089976447,
"formula_full": "H14 C16 S2 N2",
"formula_reduced": "H7C8SN",
"formula_anonymous": "ABC7D8",
"energy_above_hull": 5.404356073529412,
"spacegroup": 1
},
{
"id": "jvasp-113705",
"created_at": "2022-09-04T14:38:46.445880Z",
"updated_at": "2022-09-04T14:38:46.445902Z",
"structure_string": "Y1 W1 N3\n1.0\n2.795505 1.613985 2.348990\n-2.795505 1.613985 2.348990\n-0.000000 -3.227971 2.348990\nY W N\n1 1 3\ndirect\n0.976230 0.976230 0.976227 Y\n0.446470 0.446470 0.446468 W\n0.394470 0.913349 0.394468 N\n0.913349 0.394470 0.394468 N\n0.394469 0.394469 0.913348 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Y",
"W",
"N"
],
"chemical_system": "N-W-Y",
"density": 8.219484258774093,
"density_atomic": 0.07862809048762678,
"volume": 63.590505237906285,
"volume_molar": 7.659019470843779,
"formula_full": "Y1 W1 N3",
"formula_reduced": "YWN3",
"formula_anonymous": "ABC3",
"energy_above_hull": 5.40324104,
"spacegroup": 160
},
{
"id": "jvasp-39840",
"created_at": "2022-09-04T14:37:50.290881Z",
"updated_at": "2022-09-04T14:37:50.290891Z",
"structure_string": "Ti1 V1 Re2\n1.0\n-0.000000 3.075987 3.075987\n3.075987 0.000000 3.075987\n3.075987 3.075987 -0.000000\nTi V Re\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ti\n0.750001 0.750001 0.750001 V\n0.000000 0.000000 0.000000 Re\n0.500000 0.500000 0.500000 Re\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"V",
"Re"
],
"chemical_system": "Re-Ti-V",
"density": 13.442858702147058,
"density_atomic": 0.06871894898829894,
"volume": 58.20810793659106,
"volume_molar": 8.763435484185614,
"formula_full": "Ti1 V1 Re2",
"formula_reduced": "TiVRe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.402927133333334,
"spacegroup": 225
},
{
"id": "jvasp-79461",
"created_at": "2022-09-04T14:37:17.784564Z",
"updated_at": "2022-09-04T14:37:17.784574Z",
"structure_string": "Ti1 Mo3\n1.0\n0.000000 -3.165181 0.000000\n-4.438049 0.000000 0.000000\n2.219024 1.582590 -4.482257\nTi Mo\n1 3\ndirect\n0.000000 0.500000 0.000000 Ti\n0.244295 0.244296 0.488590 Mo\n0.755705 0.755706 0.511410 Mo\n0.500000 0.000000 0.000000 Mo\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Mo"
],
"chemical_system": "Mo-Ti",
"density": 8.853117395998657,
"density_atomic": 0.06352908410743699,
"volume": 62.96328770040843,
"volume_molar": 9.479344531105907,
"formula_full": "Ti1 Mo3",
"formula_reduced": "TiMo3",
"formula_anonymous": "AB3",
"energy_above_hull": 5.402509008333333,
"spacegroup": 71
},
{
"id": "jvasp-8343",
"created_at": "2022-09-04T14:37:02.444302Z",
"updated_at": "2022-09-04T14:37:02.444325Z",
"structure_string": "Mg1 W2 N2\n1.0\n3.280766 0.000000 0.000000\n0.000000 3.280733 0.000000\n0.000000 0.000000 7.151575\nMg W N\n1 2 2\ndirect\n0.000000 0.000000 0.250010 Mg\n0.500001 0.500000 0.928672 W\n0.500001 0.500000 0.571322 W\n0.500001 0.000000 0.431632 N\n0.000000 0.500000 0.068362 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"W",
"N"
],
"chemical_system": "Mg-N-W",
"density": 9.06043174951373,
"density_atomic": 0.0649564324064099,
"volume": 76.97467078728603,
"volume_molar": 9.27104604871393,
"formula_full": "Mg1 W2 N2",
"formula_reduced": "Mg(WN)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 5.400693109999999,
"spacegroup": 115
},
{
"id": "jvasp-100775",
"created_at": "2022-09-04T14:36:33.406579Z",
"updated_at": "2022-09-04T14:36:33.406595Z",
"structure_string": "Nb4 B4 Mo2\n1.0\n6.137948 0.000000 0.000000\n0.000000 6.137948 0.000000\n0.000000 -0.000000 3.303322\nNb B Mo\n4 4 2\ndirect\n0.679925 0.179925 0.500000 Nb\n0.320075 0.820075 0.500000 Nb\n0.179925 0.320075 0.500000 Nb\n0.820075 0.679925 0.500000 Nb\n0.106907 0.606907 -0.000000 B\n0.893093 0.393093 -0.000000 B\n0.606907 0.893093 -0.000000 B\n0.393093 0.106907 -0.000000 B\n0.000000 0.000000 0.000000 Mo\n0.500000 0.500000 -0.000000 Mo\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Nb",
"B",
"Mo"
],
"chemical_system": "B-Mo-Nb",
"density": 8.095827006888948,
"density_atomic": 0.08035310818365897,
"volume": 124.45069302289482,
"volume_molar": 7.494595910634225,
"formula_full": "Nb4 B4 Mo2",
"formula_reduced": "Nb2B2Mo",
"formula_anonymous": "AB2C2",
"energy_above_hull": 5.400219973333333,
"spacegroup": 127
},
{
"id": "jvasp-112016",
"created_at": "2022-09-04T14:38:43.277370Z",
"updated_at": "2022-09-04T14:38:43.277394Z",
"structure_string": "H8 C16 S2 O4\n1.0\n3.637060 -0.047309 0.141287\n0.904978 8.721644 3.069959\n-0.021480 -0.104376 9.910657\nH C S O\n8 16 2 4\ndirect\n0.737283 0.871376 0.708352 H\n0.737281 0.371377 0.208352 H\n0.236706 0.099117 0.216940 H\n0.236707 0.599117 0.716940 H\n0.217585 0.255701 0.382916 H\n0.217586 0.755700 0.882917 H\n0.737972 0.712374 0.546955 H\n0.737970 0.212374 0.046955 H\n0.594273 0.333378 0.753166 C\n0.594274 0.833378 0.253166 C\n0.617472 0.330307 0.011631 C\n0.617473 0.830306 0.511631 C\n0.616028 0.418518 0.102855 C\n0.616029 0.918517 0.602855 C\n0.494847 0.397410 0.870911 C\n0.494848 0.897410 0.370911 C\n0.481151 0.071599 0.551322 C\n0.337666 0.549457 0.825576 C\n0.337666 0.049458 0.325576 C\n0.324584 0.635997 0.916341 C\n0.324584 0.135997 0.416341 C\n0.474308 0.682535 0.248065 C\n0.474307 0.182536 0.748065 C\n0.481151 0.571599 0.051322 C\n0.282753 0.056466 0.878809 S\n0.282754 0.556466 0.378809 S\n0.772922 0.910343 0.152210 O\n0.547931 0.180520 0.614695 O\n0.547931 0.680520 0.114695 O\n0.772921 0.410343 0.652211 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.7255924310834319,
"density_atomic": 0.09494171424388337,
"volume": 315.9833402937819,
"volume_molar": 6.342987176880449,
"formula_full": "H8 C16 S2 O4",
"formula_reduced": "H4C8SO2",
"formula_anonymous": "AB2C4D8",
"energy_above_hull": 5.400049133333334,
"spacegroup": 1
}
]
}