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=-nsites&page=611",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=609",
"results": [
{
"id": "jvasp-58351",
"created_at": "2022-09-04T14:37:49.330416Z",
"updated_at": "2022-09-04T14:37:49.330427Z",
"structure_string": "Tb8 C12\n1.0\n6.755537 0.000000 -2.388443\n-3.377768 5.850466 -2.388443\n-0.000000 -0.000000 7.165328\nTb C\n8 12\ndirect\n0.101929 0.101929 0.101929 Tb\n0.000000 0.898071 0.500001 Tb\n0.500000 0.000000 0.898071 Tb\n0.000000 0.398071 0.500000 Tb\n0.500000 0.000000 0.398071 Tb\n0.398071 0.500000 0.000001 Tb\n0.601930 0.601930 0.601930 Tb\n0.898071 0.500000 0.000001 Tb\n0.794533 0.044532 0.750001 C\n0.044532 0.750001 0.794533 C\n0.750000 0.794533 0.044533 C\n0.705468 0.455468 0.250001 C\n0.250000 0.705468 0.455469 C\n0.955468 0.205468 0.750001 C\n0.205468 0.750001 0.955469 C\n0.544532 0.294532 0.250001 C\n0.294532 0.250000 0.544533 C\n0.750000 0.955468 0.205469 C\n0.250000 0.544533 0.294533 C\n0.455468 0.250000 0.705468 C\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Tb",
"C"
],
"chemical_system": "C-Tb",
"density": 8.300077193039465,
"density_atomic": 0.07062258068578471,
"volume": 283.1955417911499,
"volume_molar": 8.527217076353836,
"formula_full": "Tb8 C12",
"formula_reduced": "Tb2C3",
"formula_anonymous": "A2B3",
"energy_above_hull": 4.38465336,
"spacegroup": 220
},
{
"id": "jvasp-46695",
"created_at": "2022-09-04T14:38:01.163131Z",
"updated_at": "2022-09-04T14:38:01.163159Z",
"structure_string": "V4 O4 F12\n1.0\n5.237929 -0.000000 0.000000\n0.000000 5.237929 0.000000\n0.000000 -0.000000 9.022202\nV O F\n4 4 12\ndirect\n0.105183 0.440049 0.503895 V\n0.440049 0.894817 0.253895 V\n0.559951 0.105183 0.753895 V\n0.894817 0.559951 0.003895 V\n0.059022 0.701504 0.587492 O\n0.298496 0.059022 0.837492 O\n0.701504 0.940978 0.337492 O\n0.940978 0.298496 0.087492 O\n0.780214 0.942181 0.876138 F\n0.665649 0.427313 0.851080 F\n0.560685 0.858262 0.622669 F\n0.572687 0.665649 0.101080 F\n0.427313 0.334351 0.601080 F\n0.141738 0.560685 0.872668 F\n0.334351 0.572687 0.351080 F\n0.219786 0.057819 0.376139 F\n0.858262 0.439315 0.372669 F\n0.057819 0.780214 0.126139 F\n0.439315 0.141738 0.122669 F\n0.942181 0.219786 0.626139 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.3256396331995535,
"density_atomic": 0.08079755795030841,
"volume": 247.53223373781015,
"volume_molar": 7.453369771031569,
"formula_full": "V4 O4 F12",
"formula_reduced": "VOF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.8026577094999999,
"spacegroup": 76
},
{
"id": "jvasp-23342",
"created_at": "2022-09-04T14:37:40.491431Z",
"updated_at": "2022-09-04T14:37:40.491460Z",
"structure_string": "Pu8 C12\n1.0\n6.440115 0.000000 -2.276925\n-3.220058 5.577304 -2.276925\n-0.000000 -0.000000 6.830774\nPu C\n8 12\ndirect\n0.098604 0.098604 0.098604 Pu\n-0.000001 0.901395 0.500000 Pu\n0.500000 0.000000 0.901395 Pu\n-0.000000 0.401395 0.500000 Pu\n0.500000 0.000000 0.401396 Pu\n0.401396 0.500000 0.000000 Pu\n0.598604 0.598604 0.598605 Pu\n0.901396 0.500000 0.000001 Pu\n0.786022 0.036021 0.750000 C\n0.036021 0.749999 0.786021 C\n0.750000 0.786021 0.036022 C\n0.713979 0.463978 0.250001 C\n0.250000 0.713978 0.463979 C\n0.963979 0.213978 0.750000 C\n0.213978 0.749999 0.963978 C\n0.536022 0.286021 0.250000 C\n0.286022 0.250000 0.536022 C\n0.750000 0.963978 0.213979 C\n0.250000 0.536021 0.286022 C\n0.463979 0.250000 0.713979 C\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Pu",
"C"
],
"chemical_system": "C-Pu",
"density": 14.1866261206663,
"density_atomic": 0.08151586461751992,
"volume": 245.35101349708887,
"volume_molar": 7.387691694440646,
"formula_full": "Pu8 C12",
"formula_reduced": "Pu2C3",
"formula_anonymous": "A2B3",
"energy_above_hull": 7.27181,
"spacegroup": 220
},
{
"id": "jvasp-57078",
"created_at": "2022-09-04T14:37:49.298353Z",
"updated_at": "2022-09-04T14:37:49.298374Z",
"structure_string": "Na6 Cr2 F12\n1.0\n0.000000 5.472096 -0.007870\n5.738098 0.000000 0.000000\n0.000000 -5.407881 -7.896032\nNa Cr F\n6 2 12\ndirect\n0.726299 0.562308 0.745516 Na\n0.273702 0.062308 0.754484 Na\n0.273702 0.437692 0.254484 Na\n0.726299 0.937693 0.245516 Na\n0.500000 0.500000 0.000000 Na\n0.500000 0.000000 0.500000 Na\n-0.000000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.893441 0.555118 0.273034 F\n0.106560 0.055118 0.226966 F\n0.341096 0.177655 0.054204 F\n0.658905 0.677655 0.445796 F\n0.658905 0.822346 0.945796 F\n0.238783 0.720502 0.071732 F\n0.761217 0.279498 0.928267 F\n0.238783 0.779499 0.571732 F\n0.893441 0.944883 0.773034 F\n0.761217 0.220502 0.428267 F\n0.341095 0.322346 0.554204 F\n0.106560 0.444883 0.726966 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Cr",
"F"
],
"chemical_system": "Cr-F-Na",
"density": 3.144178343977166,
"density_atomic": 0.08058827400477318,
"volume": 248.17506327056233,
"volume_molar": 7.472725820686161,
"formula_full": "Na6 Cr2 F12",
"formula_reduced": "Na3CrF6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-40215",
"created_at": "2022-09-04T14:38:01.306876Z",
"updated_at": "2022-09-04T14:38:01.306910Z",
"structure_string": "Ca4 Sn4 S12\n1.0\n0.000000 7.288451 0.110962\n9.942473 0.000000 0.000000\n0.000000 -1.334902 -7.171942\nCa Sn S\n4 4 12\ndirect\n0.763990 0.391626 0.103984 Ca\n0.736010 0.891626 0.896017 Ca\n0.236010 0.608374 0.896017 Ca\n0.263990 0.108374 0.103983 Ca\n0.011102 0.807795 0.359955 Sn\n0.488898 0.307795 0.640045 Sn\n0.988898 0.192204 0.640045 Sn\n0.511102 0.692204 0.359955 Sn\n0.564749 0.158832 0.908413 S\n0.935251 0.658832 0.091588 S\n0.434586 0.479537 0.221298 S\n0.065414 0.979537 0.778702 S\n0.565414 0.520463 0.778702 S\n0.318698 0.786440 0.571647 S\n0.681302 0.213559 0.428353 S\n0.818698 0.713559 0.571647 S\n0.064749 0.341168 0.908413 S\n0.181302 0.286441 0.428353 S\n0.934586 0.020463 0.221298 S\n0.435251 0.841168 0.091587 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"S"
],
"chemical_system": "Ca-S-Sn",
"density": 3.2680319128341706,
"density_atomic": 0.03859188297663099,
"volume": 518.2436942014682,
"volume_molar": 15.604682372318189,
"formula_full": "Ca4 Sn4 S12",
"formula_reduced": "CaSnS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.984126424,
"spacegroup": 14
},
{
"id": "jvasp-30246",
"created_at": "2022-09-04T14:38:01.635722Z",
"updated_at": "2022-09-04T14:38:01.635740Z",
"structure_string": "Mn6 O2 F12\n1.0\n7.409670 0.582232 -0.007945\n-0.336759 4.915507 0.375669\n3.186600 -1.228719 7.027403\nMn O F\n6 2 12\ndirect\n0.269497 0.455859 0.074990 Mn\n0.146690 0.959064 0.789406 Mn\n0.482255 0.712061 0.362184 Mn\n0.517745 0.287939 0.637815 Mn\n0.853310 0.040936 0.210593 Mn\n0.730503 0.544140 0.925009 Mn\n0.683882 0.796665 0.140342 O\n0.316118 0.203335 0.859657 O\n0.937440 0.739895 0.758395 F\n0.663396 0.386319 0.380114 F\n0.679973 0.914014 0.468278 F\n0.473018 0.666159 0.897103 F\n0.526983 0.333841 0.102896 F\n0.255545 0.710180 0.288614 F\n0.336604 0.613681 0.619885 F\n0.062560 0.260105 0.241604 F\n0.744455 0.289819 0.711385 F\n0.080974 0.765452 0.031546 F\n0.320027 0.085986 0.531721 F\n0.919026 0.234548 -0.031547 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 3.743035025050037,
"density_atomic": 0.0764612668083784,
"volume": 261.57034580819237,
"volume_molar": 7.876067205494051,
"formula_full": "Mn6 O2 F12",
"formula_reduced": "Mn3OF6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 1.4744336919137933,
"spacegroup": 2
},
{
"id": "jvasp-47037",
"created_at": "2022-09-04T14:38:01.522805Z",
"updated_at": "2022-09-04T14:38:01.522823Z",
"structure_string": "Li5 Mn3 Co2 O10\n1.0\n5.046889 0.013629 -0.059781\n-0.810438 5.001416 0.030861\n-2.378097 -2.255345 6.851474\nLi Mn Co O\n5 3 2 10\ndirect\n0.093748 0.800212 0.583215 Li\n0.717455 0.617964 0.224888 Li\n0.499999 0.500000 0.500000 Li\n0.282543 0.382036 0.775112 Li\n0.906251 0.199788 0.416784 Li\n0.500000 0.000000 0.000000 Mn\n0.108721 0.311836 0.110560 Mn\n0.891278 0.688164 0.889439 Mn\n0.697814 0.099812 0.696697 Co\n0.302185 0.900188 0.303303 Co\n0.710702 0.328351 0.954542 O\n0.909161 0.930498 0.143785 O\n0.289297 0.671649 0.045457 O\n0.679700 0.870627 0.454179 O\n0.524299 0.768914 0.761513 O\n0.114683 0.559173 0.338273 O\n0.885316 0.440826 0.661726 O\n0.475700 0.231086 0.238487 O\n0.320299 0.129373 0.545821 O\n0.090838 0.069502 0.856215 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.594132848991291,
"density_atomic": 0.11590993432877679,
"volume": 172.54776405334076,
"volume_molar": 5.1955346147624315,
"formula_full": "Li5 Mn3 Co2 O10",
"formula_reduced": "Li5Mn3(CoO5)2",
"formula_anonymous": "A2B3C5D10",
"energy_above_hull": 2.8710184262068963,
"spacegroup": 2
},
{
"id": "jvasp-29769",
"created_at": "2022-09-04T14:38:02.041699Z",
"updated_at": "2022-09-04T14:38:02.041716Z",
"structure_string": "Ge4 Pb4 S12\n1.0\n6.934774 0.030946 0.000000\n-1.954586 7.021019 0.000000\n0.000000 0.000000 10.421083\nGe Pb S\n4 4 12\ndirect\n0.993074 0.320822 0.795434 Ge\n0.493075 0.320821 0.704565 Ge\n0.006925 0.679179 0.204565 Ge\n0.506925 0.679180 0.295435 Ge\n0.778607 0.140171 0.417395 Pb\n0.278607 0.140171 0.082605 Pb\n0.721392 0.859830 0.917394 Pb\n0.221392 0.859830 0.582605 Pb\n0.584085 0.942048 0.177892 S\n0.084086 0.942047 0.322108 S\n0.812627 0.516772 0.715541 S\n0.587971 0.768270 0.495879 S\n0.187372 0.483228 0.284459 S\n0.687372 0.483229 0.215541 S\n0.915913 0.057953 0.677892 S\n0.415914 0.057953 0.822108 S\n0.087971 0.768270 0.004121 S\n0.412028 0.231731 0.504121 S\n0.912028 0.231731 0.995879 S\n0.312628 0.516772 0.784459 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ge",
"Pb",
"S"
],
"chemical_system": "Ge-Pb-S",
"density": 4.9164638826594205,
"density_atomic": 0.039368193855708805,
"volume": 508.0243222054696,
"volume_molar": 15.296969889124659,
"formula_full": "Ge4 Pb4 S12",
"formula_reduced": "GePbS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.3360273539999998,
"spacegroup": 14
},
{
"id": "jvasp-35177",
"created_at": "2022-09-04T14:38:05.209813Z",
"updated_at": "2022-09-04T14:38:05.209839Z",
"structure_string": "Mg2 S4 O14\n1.0\n4.912412 -0.049795 0.004557\n-2.008967 6.717178 -0.011725\n-0.653514 -0.575053 8.148945\nMg S O\n2 4 14\ndirect\n-0.000000 0.500000 0.000000 Mg\n0.500000 -0.000000 0.500000 Mg\n0.521834 0.652639 0.770617 S\n0.478166 0.347361 0.229384 S\n0.134156 0.254099 0.685742 S\n0.865844 0.745901 0.314258 S\n0.654454 0.851506 0.321462 O\n0.345546 0.148494 0.678539 O\n0.095522 0.804964 0.444800 O\n0.904478 0.195036 0.555200 O\n0.706435 0.514969 0.361118 O\n0.293565 0.485031 0.638882 O\n0.635670 0.321557 0.091900 O\n0.599124 0.822466 0.672813 O\n0.046879 0.270819 0.849394 O\n0.364329 0.678443 0.908101 O\n0.244190 0.428115 0.189457 O\n0.755809 0.571886 0.810544 O\n0.400875 0.177534 0.327188 O\n0.953121 0.729181 0.150606 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Mg",
"S",
"O"
],
"chemical_system": "Mg-O-S",
"density": 2.483090158941905,
"density_atomic": 0.07460688907137297,
"volume": 268.07175917584397,
"volume_molar": 8.071829337688769,
"formula_full": "Mg2 S4 O14",
"formula_reduced": "MgS2O7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 2.200890355,
"spacegroup": 2
},
{
"id": "jvasp-57726",
"created_at": "2022-09-04T14:38:05.227780Z",
"updated_at": "2022-09-04T14:38:05.227807Z",
"structure_string": "Mg4 Si4 O12\n1.0\n4.815167 -0.000000 0.000000\n-0.000000 4.973330 0.000000\n0.000000 0.000000 6.966198\nMg Si O\n4 4 12\ndirect\n0.514870 0.556643 0.250000 Mg\n0.014870 0.943357 0.750000 Mg\n0.985131 0.056643 0.250000 Mg\n0.485130 0.443357 0.750000 Mg\n0.500000 0.000000 0.500000 Si\n0.000000 0.500000 0.500000 Si\n0.000000 0.500000 0.000000 Si\n0.500000 0.000000 0.000000 Si\n0.605034 0.035812 0.750000 O\n0.105034 0.464188 0.250000 O\n0.195613 0.200986 0.554248 O\n0.695613 0.299014 0.445752 O\n0.304388 0.700986 0.945752 O\n0.695613 0.299014 0.054248 O\n0.804388 0.799014 0.445752 O\n0.304388 0.700986 0.554248 O\n0.394967 0.964188 0.250000 O\n0.195613 0.200986 0.945752 O\n0.804388 0.799014 0.054248 O\n0.894967 0.535812 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Mg",
"Si",
"O"
],
"chemical_system": "Mg-O-Si",
"density": 3.9970490114052177,
"density_atomic": 0.11988795441926937,
"volume": 166.8224309679725,
"volume_molar": 5.0231408060725675,
"formula_full": "Mg4 Si4 O12",
"formula_reduced": "MgSiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.4596576300000002,
"spacegroup": 62
},
{
"id": "jvasp-112301",
"created_at": "2022-09-04T14:38:26.948895Z",
"updated_at": "2022-09-04T14:38:26.948907Z",
"structure_string": "Sc4 Co6 Si10\n1.0\n7.258258 -0.012922 2.463133\n-1.401021 7.121770 2.463133\n-0.001890 -0.002294 5.357196\nSc Co Si\n4 6 10\ndirect\n0.872207 0.591109 0.765274 Sc\n0.408892 0.127794 0.734725 Sc\n0.127793 0.408892 0.234725 Sc\n0.591109 0.872207 0.265274 Sc\n0.002405 0.997595 0.750000 Co\n0.543903 0.262947 0.126991 Co\n0.997595 0.002406 0.249999 Co\n0.456098 0.737054 0.873007 Co\n0.262947 0.543903 0.626992 Co\n0.737054 0.456098 0.373007 Co\n0.773574 0.226427 0.749999 Si\n0.075279 0.265762 0.828755 Si\n0.734239 0.924721 0.671244 Si\n0.924721 0.734239 0.171244 Si\n0.265761 0.075279 0.328754 Si\n0.209349 0.790651 0.750000 Si\n0.790651 0.209349 0.249999 Si\n0.513768 0.486233 0.750000 Si\n0.486233 0.513768 0.249999 Si\n0.226426 0.773574 0.249999 Si\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sc",
"Co",
"Si"
],
"chemical_system": "Co-Sc-Si",
"density": 4.883004228317127,
"density_atomic": 0.07222630447428705,
"volume": 276.90742514896505,
"volume_molar": 8.337877458681158,
"formula_full": "Sc4 Co6 Si10",
"formula_reduced": "Sc2Co3Si5",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 3.61208562,
"spacegroup": 15
},
{
"id": "jvasp-49289",
"created_at": "2022-09-04T14:38:27.778067Z",
"updated_at": "2022-09-04T14:38:27.778080Z",
"structure_string": "Sr1 Cu3 Sn4 O12\n1.0\n6.355694 -0.000000 -2.247077\n-3.177847 5.504193 -2.247077\n0.000000 0.000000 6.741231\nSr Cu Sn O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Sr\n0.499999 0.500000 -0.000001 Cu\n-0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.500000 0.000000 -0.000000 Sn\n-0.000000 0.500000 -0.000000 Sn\n0.499999 0.500000 0.499999 Sn\n0.000000 0.000000 0.500000 Sn\n0.309176 0.137870 0.828694 O\n0.862129 0.171306 0.690823 O\n0.828693 0.309176 0.137869 O\n0.519517 0.828694 0.690823 O\n0.690823 0.862130 0.171305 O\n0.137869 0.828694 0.309175 O\n0.480481 0.171306 0.309175 O\n0.309175 0.480481 0.171305 O\n0.828693 0.690824 0.519517 O\n0.171305 0.690824 0.862129 O\n0.171306 0.309176 0.480481 O\n0.690823 0.519518 0.828693 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Cu",
"Sn",
"O"
],
"chemical_system": "Cu-O-Sn-Sr",
"density": 6.654674083385534,
"density_atomic": 0.08480747893413175,
"volume": 235.82825773577818,
"volume_molar": 7.100954816352075,
"formula_full": "Sr1 Cu3 Sn4 O12",
"formula_reduced": "SrCu3(SnO3)4",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 1.738452323,
"spacegroup": 204
}
]
}