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=-spacegroup&page=4638",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4636",
"results": [
{
"id": "jvasp-100334",
"created_at": "2022-09-04T14:36:35.713787Z",
"updated_at": "2022-09-04T14:36:35.713807Z",
"structure_string": "Te3 Se3\n1.0\n4.292771 0.012687 0.039126\n2.095491 3.805484 0.083948\n-0.018618 -0.025350 11.132047\nTe Se\n3 3\ndirect\n0.988653 0.724885 0.996944 Te\n0.268099 0.000555 0.175955 Te\n0.261398 0.011767 0.660759 Te\n0.749251 0.246651 0.342039 Se\n0.747703 0.241209 0.826824 Se\n0.984892 0.774934 0.497382 Se\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Te",
"Se"
],
"chemical_system": "Se-Te",
"density": 5.66732099654813,
"density_atomic": 0.03304551199178032,
"volume": 181.5677723950057,
"volume_molar": 18.22377804737278,
"formula_full": "Te3 Se3",
"formula_reduced": "TeSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.7576605666666667,
"spacegroup": 1
},
{
"id": "jvasp-8761",
"created_at": "2022-09-04T14:36:36.876717Z",
"updated_at": "2022-09-04T14:36:36.876741Z",
"structure_string": "Ag6 S3\n1.0\n4.331361 0.483542 -0.130854\n0.127906 4.652839 -0.014773\n-1.956824 -2.102817 9.546730\nAg S\n6 3\ndirect\n0.137973 0.618605 0.809454 Ag\n0.579279 0.061702 0.808008 Ag\n0.803680 0.524143 0.044529 Ag\n0.693415 -0.052669 0.522980 Ag\n0.273723 0.470609 0.427130 Ag\n0.516977 0.021410 0.215931 Ag\n0.189433 0.218974 0.614258 S\n0.678912 0.540648 0.299300 S\n0.001616 0.971574 0.008413 S\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Ag",
"S"
],
"chemical_system": "Ag-S",
"density": 6.479067594190172,
"density_atomic": 0.04723684820899097,
"volume": 190.52922329155226,
"volume_molar": 12.74882001727998,
"formula_full": "Ag6 S3",
"formula_reduced": "Ag2S",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3998275,
"spacegroup": 1
},
{
"id": "jvasp-103972",
"created_at": "2022-09-04T14:36:36.991463Z",
"updated_at": "2022-09-04T14:36:36.991488Z",
"structure_string": "Cd1 H10 C7 O4\n1.0\n4.105906 0.049216 0.455266\n1.047223 4.051418 0.743044\n0.009757 0.008135 10.890858\nCd H C O\n1 10 7 4\ndirect\n0.759003 0.206795 0.173106 Cd\n0.048885 0.390749 0.616190 H\n0.887023 0.021510 0.719348 H\n0.892716 0.639080 0.812044 H\n0.508975 0.434743 0.752280 H\n0.502419 0.816246 0.657328 H\n0.943751 0.148617 0.911998 H\n0.379181 0.018995 0.863899 H\n0.873687 0.800257 0.449552 H\n0.128224 0.032593 0.485812 H\n0.465946 0.328859 0.550524 H\n0.347632 0.727556 0.348301 C\n0.133433 0.783094 0.469946 C\n0.248296 0.516688 0.583277 C\n0.347649 0.642927 0.693576 C\n0.049675 0.810121 0.776424 C\n0.147348 0.937651 0.888234 C\n0.201873 0.672499 0.002248 C\n0.974242 0.693566 0.093859 O\n0.291597 0.964744 0.254731 O\n0.574185 0.458732 0.344419 O\n0.464687 0.431502 0.000932 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.488167740863959,
"density_atomic": 0.12183862615803842,
"volume": 180.56671101546667,
"volume_molar": 4.942718865024467,
"formula_full": "Cd1 H10 C7 O4",
"formula_reduced": "CdH10C7O4",
"formula_anonymous": "AB4C7D10",
"energy_above_hull": 4.349658806818182,
"spacegroup": 1
},
{
"id": "jvasp-101938",
"created_at": "2022-09-04T14:36:37.230027Z",
"updated_at": "2022-09-04T14:36:37.230053Z",
"structure_string": "Hf1 H2 C3 O4\n1.0\n4.300829 -0.147544 0.882540\n1.623148 4.199019 0.420271\n0.041891 -0.104852 5.830978\nHf H C O\n1 2 3 4\ndirect\n0.715430 0.182644 0.554120 Hf\n0.224373 0.693096 0.035947 H\n0.783817 0.774711 0.106218 H\n0.053837 0.471246 0.352255 C\n0.025807 0.591950 0.098052 C\n0.055484 0.355325 0.921473 C\n-0.017791 0.757824 0.480928 O\n0.387954 0.294675 0.357971 O\n0.331747 0.144629 0.841090 O\n0.795331 0.372269 0.849286 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Hf",
"H",
"C",
"O"
],
"chemical_system": "C-H-Hf-O",
"density": 4.370759550167006,
"density_atomic": 0.09382527966084046,
"volume": 106.58108386298439,
"volume_molar": 6.418462893762565,
"formula_full": "Hf1 H2 C3 O4",
"formula_reduced": "HfH2C3O4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 4.477141699999999,
"spacegroup": 1
},
{
"id": "jvasp-9319",
"created_at": "2022-09-04T14:36:37.290802Z",
"updated_at": "2022-09-04T14:36:37.290821Z",
"structure_string": "Y1 Mn1 W2 O8\n1.0\n5.095700 -0.006275 -0.073786\n-0.014134 5.903192 -0.005459\n-2.172107 -2.042804 5.165404\nY Mn W O\n1 1 2 8\ndirect\n0.525629 0.276493 0.901773 Y\n0.032314 0.749534 0.883861 Mn\n0.279267 0.602670 0.413200 W\n0.771931 0.955538 0.387848 W\n0.297023 0.325972 0.168115 O\n0.259483 0.508970 0.674264 O\n0.373291 0.805144 0.205374 O\n0.173338 0.950154 0.610716 O\n0.787565 0.057764 0.136099 O\n0.746006 0.231480 0.631681 O\n0.677705 0.749091 0.601005 O\n0.876349 0.608700 0.189955 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Y",
"Mn",
"W",
"O"
],
"chemical_system": "Mn-O-W-Y",
"density": 6.8790329894178415,
"density_atomic": 0.07773310656678474,
"volume": 154.37437830546688,
"volume_molar": 7.7472019657750995,
"formula_full": "Y1 Mn1 W2 O8",
"formula_reduced": "YMn(WO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 4.088446724281609,
"spacegroup": 1
},
{
"id": "jvasp-101897",
"created_at": "2022-09-04T14:36:40.228944Z",
"updated_at": "2022-09-04T14:36:40.228977Z",
"structure_string": "Al1 H16 C10 Cl1 O4\n1.0\n4.617430 -0.029586 0.731433\n-0.012100 6.438320 2.086394\n0.195199 -0.135912 10.086828\nAl H C Cl O\n1 16 10 1 4\ndirect\n0.159652 0.725049 0.968043 Al\n0.230502 0.274128 0.433456 H\n0.606300 0.455836 0.504667 H\n0.614735 0.244646 0.656239 H\n0.083026 0.302577 0.743320 H\n0.078282 0.518153 0.595346 H\n0.335422 0.882911 0.205433 H\n0.182147 0.089353 0.265327 H\n0.212758 0.067296 0.590740 H\n0.360470 0.811607 0.453262 H\n0.759333 0.195761 0.364992 H\n0.740191 0.994704 0.524959 H\n0.322324 0.187273 0.962483 H\n0.678558 0.304093 0.896288 H\n0.557707 0.326422 0.132125 H\n0.822158 0.133830 0.133047 H\n0.710291 0.828268 0.350353 H\n0.552586 0.172421 0.973052 C\n0.592731 0.168499 0.123661 C\n0.612500 0.077407 0.443564 C\n0.520000 0.921350 0.375558 C\n0.390001 0.013466 0.241342 C\n0.470115 0.331385 0.583601 C\n0.361364 0.185753 0.512119 C\n0.324684 0.565161 0.740381 C\n0.673583 0.977389 0.947297 C\n0.223176 0.425059 0.665529 C\n0.015879 0.560794 0.183116 Cl\n0.556179 0.661233 0.701729 O\n0.951534 0.959938 0.928086 O\n0.517886 0.823741 0.953302 O\n0.137343 0.574934 0.855835 O\n",
"nsites": 32,
"nelements": 5,
"elements": [
"Al",
"H",
"C",
"Cl",
"O"
],
"chemical_system": "Al-C-Cl-H-O",
"density": 1.4527204060327015,
"density_atomic": 0.106580747559728,
"volume": 300.24184229020494,
"volume_molar": 5.650308238479172,
"formula_full": "Al1 H16 C10 Cl1 O4",
"formula_reduced": "AlH16C10ClO4",
"formula_anonymous": "ABC4D10E16",
"energy_above_hull": 4.533682527109375,
"spacegroup": 1
},
{
"id": "jvasp-103973",
"created_at": "2022-09-04T14:36:39.892846Z",
"updated_at": "2022-09-04T14:36:39.892856Z",
"structure_string": "Cd1 H10 C7 O4\n1.0\n3.769824 -0.515650 -0.261671\n-1.622102 4.388668 -0.152365\n-0.394361 0.008003 11.718275\nCd H C O\n1 10 7 4\ndirect\n0.184325 0.005358 0.195810 Cd\n0.842935 0.189188 0.585880 H\n0.947393 0.240796 0.807147 H\n0.461239 0.385085 0.805519 H\n0.495040 0.852054 0.694469 H\n0.980804 0.708308 0.696057 H\n0.078666 0.758293 0.915652 H\n0.589002 0.917919 0.912375 H\n0.878017 0.662657 0.475941 H\n0.388775 0.806502 0.474634 H\n0.357205 0.334219 0.584153 H\n0.034324 0.384554 0.365285 C\n0.105775 0.582323 0.477101 C\n0.127241 0.412679 0.585589 C\n0.210699 0.628464 0.695316 C\n0.230576 0.463734 0.805512 C\n0.314932 0.686833 0.912890 C\n0.355420 0.551133 0.026825 C\n0.251817 0.253077 0.028766 O\n-0.100250 0.453974 0.271317 O\n0.119778 0.151166 0.369425 O\n0.499828 0.750022 0.118179 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.447118863542656,
"density_atomic": 0.11982857726301463,
"volume": 183.59560384090742,
"volume_molar": 5.025629860214279,
"formula_full": "Cd1 H10 C7 O4",
"formula_reduced": "CdH10C7O4",
"formula_anonymous": "AB4C7D10",
"energy_above_hull": 4.3492865340909095,
"spacegroup": 1
},
{
"id": "jvasp-100037",
"created_at": "2022-09-04T14:36:37.602505Z",
"updated_at": "2022-09-04T14:36:37.602532Z",
"structure_string": "Ba1 Ga2 Ge1 Se6\n1.0\n6.409620 0.025931 -1.281312\n-1.316743 6.368900 -1.131126\n-0.059890 0.048914 6.656464\nBa Ga Ge Se\n1 2 1 6\ndirect\n0.004059 0.000025 0.987267 Ba\n0.814563 0.534461 0.403204 Ga\n0.547233 0.396113 0.820862 Ga\n0.396399 0.823409 0.544083 Ge\n0.253643 0.137992 0.573423 Se\n0.134627 0.591098 0.261447 Se\n0.582844 0.254134 0.136296 Se\n0.733705 0.885542 0.455243 Se\n0.895461 0.451182 0.747611 Se\n0.453097 0.741670 0.886189 Se\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Ga",
"Ge",
"Se"
],
"chemical_system": "Ba-Ga-Ge-Se",
"density": 5.027086789259552,
"density_atomic": 0.03677698888097576,
"volume": 271.9091558138101,
"volume_molar": 16.37475210243537,
"formula_full": "Ba1 Ga2 Ge1 Se6",
"formula_reduced": "BaGa2GeSe6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.8758356769999999,
"spacegroup": 1
},
{
"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-101795",
"created_at": "2022-09-04T14:36:38.047886Z",
"updated_at": "2022-09-04T14:36:38.047915Z",
"structure_string": "H12 C24 S6\n1.0\n6.550367 0.208018 -1.240865\n-0.164483 7.890542 -0.250367\n0.166993 -0.074089 9.526559\nH C S\n12 24 6\ndirect\n0.212146 0.078904 0.965222 H\n0.954731 0.302004 0.900291 H\n0.848753 0.068494 0.037941 H\n0.348754 0.068494 0.537942 H\n0.588054 0.287720 0.972398 H\n0.088056 0.287721 0.472398 H\n0.454731 0.302004 0.400292 H\n0.255168 0.552031 0.630268 H\n0.812899 0.790604 0.962763 H\n0.312900 0.790605 0.462764 H\n0.712147 0.078905 0.465222 H\n0.755168 0.552031 0.130269 H\n0.004775 0.313155 0.683155 C\n0.504774 0.313154 0.183155 C\n0.977058 0.942301 0.295393 C\n0.477058 0.942300 0.795394 C\n0.856850 0.452075 0.643054 C\n0.183487 0.120793 0.856014 C\n0.683488 0.120794 0.356014 C\n0.038198 0.247704 0.820097 C\n0.538198 0.247705 0.320097 C\n0.800604 0.055948 0.255540 C\n0.356849 0.452074 0.143054 C\n0.300604 0.055947 0.755540 C\n0.261128 0.118313 0.617057 C\n0.115987 0.243218 0.580903 C\n0.163998 0.746827 0.475840 C\n0.663997 0.746826 0.975840 C\n0.615985 0.243217 0.080902 C\n0.632652 0.617027 0.063403 C\n0.927524 0.580218 0.559712 C\n0.132653 0.617028 0.563403 C\n0.984144 0.816006 0.402621 C\n0.484143 0.816005 0.902621 C\n0.761127 0.118313 0.117057 C\n0.427523 0.580218 0.059712 C\n0.630737 0.457144 0.693259 S\n0.773011 0.715359 0.447629 S\n0.273009 0.715358 0.947629 S\n0.183056 0.963987 0.220609 S\n0.683057 0.963986 0.720609 S\n0.130736 0.457144 0.193260 S\n",
"nsites": 42,
"nelements": 3,
"elements": [
"H",
"C",
"S"
],
"chemical_system": "C-H-S",
"density": 1.6556239971397044,
"density_atomic": 0.08498499497219665,
"volume": 494.20488891880916,
"volume_molar": 7.08612239368865,
"formula_full": "H12 C24 S6",
"formula_reduced": "H2C4S",
"formula_anonymous": "AB2C4",
"energy_above_hull": 5.100732857142857,
"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-102178",
"created_at": "2022-09-04T14:36:38.356050Z",
"updated_at": "2022-09-04T14:36:38.356075Z",
"structure_string": "Te4 As2 I2 O1\n1.0\n6.372047 -0.041632 1.623164\n2.896022 5.926282 2.186182\n0.391081 -0.160198 8.011147\nTe As I O\n4 2 2 1\ndirect\n0.888875 0.217332 0.225454 Te\n0.068703 0.762582 0.726403 Te\n0.318598 0.085041 0.835272 Te\n0.713206 0.446478 0.758732 Te\n0.321781 0.409194 0.953651 As\n0.694167 0.717211 0.944823 As\n0.728343 0.877123 0.289202 I\n0.407025 0.508435 0.359548 I\n0.020203 0.137502 0.424212 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Te",
"As",
"I",
"O"
],
"chemical_system": "As-I-O-Te",
"density": 5.127987069249932,
"density_atomic": 0.0298836276981375,
"volume": 301.1682547685108,
"volume_molar": 20.1519735851057,
"formula_full": "Te4 As2 I2 O1",
"formula_reduced": "Te4As2I2O",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 1.3157211796296298,
"spacegroup": 1
}
]
}