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=702",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=700",
"results": [
{
"id": "jvasp-118994",
"created_at": "2022-09-04T14:38:31.964268Z",
"updated_at": "2022-09-04T14:38:31.964294Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n6.186579 -0.036668 4.261594\n5.548645 2.736355 4.261594\n-0.033786 -0.007773 11.535178\nLi Mn Co O\n7 2 3 12\ndirect\n0.668697 0.668701 0.741755 Li\n0.000305 0.000306 0.257582 Li\n0.349408 0.349411 0.732878 Li\n0.651819 0.651821 0.274194 Li\n0.005342 0.005344 0.733558 Li\n0.326641 0.326642 0.257596 Li\n0.002136 0.002137 0.504135 Li\n-0.000493 -0.000493 0.000204 Mn\n0.339641 0.339643 0.496248 Mn\n0.332751 0.332754 0.999583 Co\n0.662917 0.662919 0.501242 Co\n0.666334 0.666335 0.000481 Co\n0.174047 0.174049 0.609149 O\n0.495025 0.495029 0.889878 O\n0.827424 0.827427 0.388903 O\n0.158653 0.158655 0.891098 O\n0.488714 0.488716 0.379058 O\n0.823968 0.823972 0.894725 O\n0.167154 0.167155 0.387684 O\n0.831574 0.831577 0.613186 O\n0.174896 0.174896 0.105526 O\n0.508992 0.508995 0.620917 O\n0.840242 0.840244 0.109167 O\n0.503788 0.503789 0.111253 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.420908693462831,
"density_atomic": 0.12118603922703536,
"volume": 198.0426140921837,
"volume_molar": 4.969335410589541,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy_above_hull": 2.6908795492816093,
"spacegroup": 8
},
{
"id": "jvasp-27011",
"created_at": "2022-09-04T14:38:35.416984Z",
"updated_at": "2022-09-04T14:38:35.417010Z",
"structure_string": "Ta12 Al8 Co4 C4\n1.0\n7.109739 0.000000 4.104810\n2.369913 6.703126 4.104810\n0.000000 0.000000 8.209619\nTa Al Co C\n12 8 4 4\ndirect\n0.313787 0.936213 0.936213 Ta\n0.063788 0.063788 0.686213 Ta\n0.686212 0.686213 0.063788 Ta\n0.063787 0.686213 0.686213 Ta\n0.063787 0.686213 0.063788 Ta\n0.686212 0.063788 0.686212 Ta\n0.936212 0.313788 0.936213 Ta\n0.936212 0.936213 0.313788 Ta\n0.313787 0.313788 0.936213 Ta\n0.313787 0.936213 0.313788 Ta\n0.686212 0.063788 0.063788 Ta\n0.936212 0.313788 0.313788 Ta\n0.706933 0.706934 0.706934 Al\n0.293066 0.293067 0.620801 Al\n0.293066 0.620802 0.293067 Al\n0.620801 0.293067 0.293067 Al\n0.706933 0.706934 0.379199 Al\n0.379198 0.706934 0.706934 Al\n0.293066 0.293067 0.293067 Al\n0.706933 0.379199 0.706933 Al\n0.500000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n-0.000000 0.500000 0.500000 Co\n0.500000 -0.000000 0.500000 Co\n0.500000 -0.000000 -0.000000 C\n0.000000 0.000000 0.000000 C\n-0.000000 -0.000000 0.500000 C\n-0.000000 0.500000 0.000000 C\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Ta",
"Al",
"Co",
"C"
],
"chemical_system": "Al-C-Co-Ta",
"density": 11.336248051392719,
"density_atomic": 0.07156554582271987,
"volume": 391.24972328668883,
"volume_molar": 8.414860378369609,
"formula_full": "Ta12 Al8 Co4 C4",
"formula_reduced": "Ta3Al2CoC",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 5.271764871428571,
"spacegroup": 227
},
{
"id": "jvasp-28826",
"created_at": "2022-09-04T14:38:35.409786Z",
"updated_at": "2022-09-04T14:38:35.409809Z",
"structure_string": "Te4 Mo2 W2 S4\n1.0\n3.373553 -0.000000 -0.000003\n-1.686776 2.921531 -0.000023\n-0.000044 -0.000271 34.439131\nTe Mo W S\n4 2 2 4\ndirect\n0.333377 0.666747 0.713081 Te\n0.666622 0.333253 0.038378 Te\n0.666685 0.333363 0.148696 Te\n0.333313 0.666637 0.602763 Te\n0.333322 0.666643 0.464169 Mo\n0.666676 0.333357 0.287289 Mo\n0.333316 0.666635 0.093455 W\n0.666683 0.333365 0.658003 W\n0.333321 0.666650 0.331138 S\n0.666678 0.333350 0.420320 S\n0.666635 0.333274 0.508036 S\n0.333363 0.666726 0.243422 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"S"
],
"chemical_system": "Mo-S-Te-W",
"density": 5.861859987896665,
"density_atomic": 0.035353386831858784,
"volume": 339.4299973881476,
"volume_molar": 17.03412685364881,
"formula_full": "Te4 Mo2 W2 S4",
"formula_reduced": "Te2MoWS2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.553056905555556,
"spacegroup": 164
},
{
"id": "jvasp-56722",
"created_at": "2022-09-04T14:38:31.966202Z",
"updated_at": "2022-09-04T14:38:31.966224Z",
"structure_string": "Mn2 Ni2 Bi4 O12\n1.0\n0.000000 5.401818 -0.002844\n5.640827 0.000000 0.000000\n0.000000 -5.366722 -7.643543\nMn Ni Bi O\n2 2 4 12\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 -0.000000 Ni\n0.260399 0.942068 0.250773 Bi\n0.739601 0.442068 0.249226 Bi\n0.260399 0.557933 0.750773 Bi\n0.739601 0.057933 0.749226 Bi\n0.763201 0.711046 0.458194 O\n0.837863 0.023311 0.252788 O\n0.668292 0.192815 0.459889 O\n0.668292 0.307186 0.959889 O\n0.236799 0.288955 0.541806 O\n0.331708 0.807186 0.540110 O\n0.236799 0.211046 0.041806 O\n0.162137 0.523312 0.247211 O\n0.331708 0.692815 0.040111 O\n0.763201 0.788955 0.958193 O\n0.162137 0.976689 0.747211 O\n0.837863 0.476689 0.752788 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mn",
"Ni",
"Bi",
"O"
],
"chemical_system": "Bi-Mn-Ni-O",
"density": 8.94573887335241,
"density_atomic": 0.08584046117684171,
"volume": 232.99036055733188,
"volume_molar": 7.015503734997024,
"formula_full": "Mn2 Ni2 Bi4 O12",
"formula_reduced": "MnNi(BiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.441931924137932,
"spacegroup": 14
},
{
"id": "jvasp-112969",
"created_at": "2022-09-04T14:38:45.569981Z",
"updated_at": "2022-09-04T14:38:45.569999Z",
"structure_string": "Hg2 P4 Pd4 O16\n1.0\n8.536299 0.006038 4.878380\n6.432556 5.613436 1.838143\n-0.001173 0.003126 6.716523\nHg P Pd O\n2 4 4 16\ndirect\n0.750000 0.750001 0.749999 Hg\n0.500000 0.500001 0.500000 Hg\n0.955033 0.955035 0.544966 P\n0.544966 0.544968 0.955033 P\n0.294966 0.294967 0.705033 P\n0.705033 0.705035 0.294966 P\n0.625000 0.125000 0.125000 Pd\n0.125000 0.125000 0.125000 Pd\n0.125000 0.625001 0.125000 Pd\n0.125000 0.125001 0.625000 Pd\n0.123852 0.897828 0.600706 O\n0.872386 0.649295 0.352172 O\n0.126147 0.352174 0.649293 O\n0.897827 0.123853 0.377614 O\n0.600706 0.377614 0.123852 O\n0.377614 0.600708 0.897826 O\n0.171419 0.532708 0.824589 O\n0.778717 0.425411 0.717292 O\n0.824589 0.471284 0.171419 O\n0.532707 0.171420 0.471283 O\n0.078581 0.717294 0.425410 O\n0.649293 0.872387 0.126147 O\n0.425410 0.778718 0.078580 O\n0.717292 0.078582 0.778717 O\n0.471282 0.824591 0.532707 O\n0.352173 0.126148 0.872386 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Hg",
"P",
"Pd",
"O"
],
"chemical_system": "Hg-O-P-Pd",
"density": 6.229661372763813,
"density_atomic": 0.08083008239024768,
"volume": 321.6624211079235,
"volume_molar": 7.450370681208886,
"formula_full": "Hg2 P4 Pd4 O16",
"formula_reduced": "HgP2(PdO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 2.4304903846153847,
"spacegroup": 70
},
{
"id": "jvasp-59692",
"created_at": "2022-09-04T14:38:30.855100Z",
"updated_at": "2022-09-04T14:38:30.855123Z",
"structure_string": "Ba2 La1 Re1 O6\n1.0\n5.308853 -0.000000 3.065068\n1.769618 5.005235 3.065068\n-0.000000 0.000000 6.130136\nBa La Re O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750001 0.750001 Ba\n0.500000 0.500000 0.500001 La\n0.000000 0.000000 0.000000 Re\n0.228344 0.771657 0.771657 O\n0.228344 0.771657 0.228344 O\n0.771656 0.228344 0.771657 O\n0.228344 0.228344 0.771657 O\n0.771656 0.228344 0.228345 O\n0.771656 0.771657 0.228344 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"La",
"Re",
"O"
],
"chemical_system": "Ba-La-O-Re",
"density": 7.0927567130956355,
"density_atomic": 0.06139100138738037,
"volume": 162.89032226237012,
"volume_molar": 9.809484491057546,
"formula_full": "Ba2 La1 Re1 O6",
"formula_reduced": "Ba2LaReO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.452566594,
"spacegroup": 225
},
{
"id": "jvasp-24955",
"created_at": "2022-09-04T14:38:31.980058Z",
"updated_at": "2022-09-04T14:38:31.980093Z",
"structure_string": "K2 Li2 Si4 O10\n1.0\n0.000000 5.996842 0.005456\n4.851216 0.000000 0.000000\n0.000000 -0.493190 -8.176626\nK Li Si O\n2 2 4 10\ndirect\n0.031906 0.309970 0.686178 K\n0.968094 0.809971 0.313822 K\n0.128498 0.298773 0.094226 Li\n0.871502 0.798773 0.905774 Li\n0.366580 0.782400 0.937617 Si\n0.558629 0.864522 0.606219 Si\n0.441371 0.364521 0.393781 Si\n0.633419 0.282400 0.062383 Si\n0.480458 0.697207 0.435717 O\n0.403632 0.109126 -0.002034 O\n0.364212 0.787924 0.735989 O\n0.635788 0.287924 0.264011 O\n0.143233 0.653341 0.998473 O\n0.596368 0.609127 0.002033 O\n0.809758 0.803439 0.671963 O\n0.190242 0.303438 0.328037 O\n0.519542 0.197206 0.564283 O\n0.856767 0.153341 0.001527 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"K",
"Li",
"Si",
"O"
],
"chemical_system": "K-Li-O-Si",
"density": 2.5440248388182676,
"density_atomic": 0.07567440005661087,
"volume": 237.8611523386307,
"volume_molar": 7.957963003994652,
"formula_full": "K2 Li2 Si4 O10",
"formula_reduced": "KLiSi2O5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 2.0721658555555558,
"spacegroup": 4
},
{
"id": "jvasp-56642",
"created_at": "2022-09-04T14:38:35.402125Z",
"updated_at": "2022-09-04T14:38:35.402157Z",
"structure_string": "Rb2 V4 Cr2 O14\n1.0\n0.000000 6.908747 -0.012272\n4.872850 0.000000 0.000000\n0.000000 -1.657182 -8.251816\nRb V Cr O\n2 4 2 14\ndirect\n0.250000 0.392183 0.500000 Rb\n0.750000 0.607818 0.500000 Rb\n0.376128 0.003063 0.170147 V\n0.623873 0.996937 0.829854 V\n0.876128 0.996937 0.170147 V\n0.123873 0.003063 0.829854 V\n0.500000 0.500000 -0.000000 Cr\n0.000000 0.500000 0.000000 Cr\n0.120968 0.875821 0.649811 O\n0.879033 0.124179 0.350189 O\n0.612593 0.838994 0.111433 O\n0.379033 0.875821 0.350189 O\n0.518263 0.673281 0.797301 O\n0.981738 0.673281 0.202699 O\n0.887408 0.838994 0.888567 O\n0.112592 0.161006 0.111433 O\n0.620968 0.124179 0.649811 O\n0.750000 0.289735 -0.000000 O\n0.387408 0.161006 0.888567 O\n0.018262 0.326719 0.797302 O\n0.481738 0.326719 0.202699 O\n0.250000 0.710265 -0.000000 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Rb",
"V",
"Cr",
"O"
],
"chemical_system": "Cr-O-Rb-V",
"density": 4.198781384947522,
"density_atomic": 0.07916549221684667,
"volume": 277.89885951493306,
"volume_molar": 7.6070274956472375,
"formula_full": "Rb2 V4 Cr2 O14",
"formula_reduced": "RbV2CrO7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 3.0182900272727275,
"spacegroup": 13
},
{
"id": "jvasp-112139",
"created_at": "2022-09-04T14:38:45.406115Z",
"updated_at": "2022-09-04T14:38:45.406141Z",
"structure_string": "Zn1 H18 C11 O4\n1.0\n4.185558 -0.325759 -0.252381\n-1.513608 4.391157 -0.020677\n-0.017056 0.123099 15.158224\nZn H C O\n1 18 11 4\ndirect\n0.018338 0.843200 0.844584 Zn\n0.251301 0.751483 0.535034 H\n0.715125 0.289858 0.566083 H\n0.053369 0.842178 0.075180 H\n0.049064 0.035078 0.265584 H\n0.369585 -0.078737 0.227396 H\n0.376123 0.154596 0.415567 H\n0.687366 0.030898 0.376420 H\n0.559144 0.625586 0.494622 H\n0.725447 0.935619 0.117679 H\n0.288564 0.374784 0.069046 H\n0.633335 0.338008 0.014023 H\n0.592680 0.494257 0.223915 H\n-0.082116 0.393979 0.181793 H\n0.908495 0.617647 0.379887 H\n0.222711 0.496013 0.340831 H\n0.655198 0.934498 0.690533 H\n0.919511 0.768026 0.641834 H\n0.022871 0.172474 0.520198 H\n0.455357 0.670024 0.958855 C\n0.533811 0.507259 0.038758 C\n0.802222 0.739097 0.105168 C\n0.844168 0.592937 0.193371 C\n0.116923 0.830709 0.257371 C\n0.785115 0.087973 0.556489 C\n0.439979 0.947432 0.408858 C\n0.494405 0.832151 0.501013 C\n0.866924 0.981172 0.646431 C\n0.295358 0.200734 0.768231 C\n0.158182 0.702371 0.348528 C\n0.695798 0.904280 0.926256 O\n0.576786 0.409026 0.794810 O\n0.180991 0.236522 0.684103 O\n0.140635 0.570931 0.927929 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 1.7126088617537818,
"density_atomic": 0.12538524737348175,
"volume": 271.1642773948126,
"volume_molar": 4.8029101398683745,
"formula_full": "Zn1 H18 C11 O4",
"formula_reduced": "ZnH18C11O4",
"formula_anonymous": "AB4C11D18",
"energy_above_hull": 4.577020129411765,
"spacegroup": 1
},
{
"id": "jvasp-49157",
"created_at": "2022-09-04T14:38:31.060222Z",
"updated_at": "2022-09-04T14:38:31.060245Z",
"structure_string": "Na2 Sr6 Ta2 O12\n1.0\n6.874179 -0.003676 -0.149777\n-0.152995 6.872477 -0.149777\n-0.003597 -0.003676 6.875809\nNa Sr Ta O\n2 6 2 12\ndirect\n0.250000 0.250000 0.250000 Na\n0.749999 0.749999 0.749999 Na\n0.249999 0.898732 0.601267 Sr\n0.601267 0.249999 0.898732 Sr\n0.898732 0.601267 0.249999 Sr\n0.750000 0.101267 0.398732 Sr\n0.398732 0.750000 0.101267 Sr\n0.101267 0.398732 0.750000 Sr\n0.499999 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Ta\n0.426048 0.220614 0.554046 O\n0.720613 0.926048 0.054045 O\n0.945954 0.279385 0.073951 O\n0.073951 0.945954 0.279385 O\n0.279385 0.073951 0.945954 O\n0.779385 0.445953 0.573951 O\n0.573951 0.779386 0.445953 O\n0.445953 0.573951 0.779385 O\n0.054045 0.720614 0.926048 O\n0.926048 0.054045 0.720614 O\n0.554046 0.426048 0.220614 O\n0.220613 0.554046 0.426048 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Na",
"Sr",
"Ta",
"O"
],
"chemical_system": "Na-O-Sr-Ta",
"density": 5.754213214957167,
"density_atomic": 0.06772983865023954,
"volume": 324.81990860201455,
"volume_molar": 8.891414596598484,
"formula_full": "Na2 Sr6 Ta2 O12",
"formula_reduced": "NaSr3TaO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.7887580118181818,
"spacegroup": 167
},
{
"id": "jvasp-118995",
"created_at": "2022-09-04T14:38:31.990187Z",
"updated_at": "2022-09-04T14:38:31.990210Z",
"structure_string": "Li7 Mn4 Co1 O12\n1.0\n2.833755 -0.079083 0.042375\n0.133592 5.631183 1.307340\n-0.191595 -0.128884 12.441043\nLi Mn Co O\n7 4 1 12\ndirect\n0.000127 0.479354 0.017010 Li\n0.500040 0.328397 0.836746 Li\n0.500003 0.665831 0.166896 Li\n0.999909 0.848336 0.319731 Li\n0.499914 0.003446 0.496579 Li\n-0.000019 0.174936 0.662979 Li\n0.500005 0.165191 0.167759 Li\n0.000131 -0.001082 0.007223 Mn\n-0.000115 0.333487 0.327630 Mn\n0.500022 0.829597 0.832281 Mn\n0.000006 0.671182 0.666140 Mn\n0.499953 0.501951 0.499624 Co\n0.500350 0.225684 -0.001408 O\n0.000264 0.059040 0.836677 O\n-0.000026 0.412818 0.180397 O\n0.500144 0.562402 0.341940 O\n0.000166 0.727020 0.507852 O\n0.500250 0.903608 0.669901 O\n0.499855 0.767520 0.991424 O\n-0.000219 0.598224 0.827735 O\n0.000095 0.918582 0.153927 O\n0.499660 0.105754 0.335762 O\n-0.000278 0.278038 0.494330 O\n0.499780 0.440687 0.660868 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.328608008496825,
"density_atomic": 0.12048173296908432,
"volume": 199.20032197875517,
"volume_molar": 4.998384909972439,
"formula_full": "Li7 Mn4 Co1 O12",
"formula_reduced": "Li7Mn4CoO12",
"formula_anonymous": "AB4C7D12",
"energy_above_hull": 2.786090911063218,
"spacegroup": 6
},
{
"id": "jvasp-112643",
"created_at": "2022-09-04T14:38:41.584226Z",
"updated_at": "2022-09-04T14:38:41.584255Z",
"structure_string": "Sr6 Zr2 Ti4 O18\n1.0\n5.523316 -0.017177 1.254556\n-0.355629 5.511882 1.254556\n-0.001124 -0.001195 12.567586\nSr Zr Ti O\n6 2 4 18\ndirect\n0.419419 0.920587 0.160613 Sr\n0.079413 0.580582 0.839387 Sr\n0.751601 0.248400 0.500000 Sr\n0.580582 0.079413 0.839387 Sr\n0.248401 0.751600 0.500000 Sr\n0.920588 0.419418 0.160613 Sr\n0.334388 0.334387 0.333661 Zr\n0.665613 0.665613 0.666340 Zr\n0.000000 0.000000 0.000000 Ti\n0.165307 0.165307 0.671127 Ti\n0.834694 0.834693 0.328873 Ti\n0.500000 0.500000 0.000000 Ti\n0.750382 0.249618 0.000000 O\n0.921625 0.406907 0.668686 O\n0.593093 0.078376 0.331315 O\n0.249619 0.750381 0.000000 O\n0.063092 0.063092 0.359056 O\n0.392748 0.392748 0.698308 O\n0.739053 0.739052 0.022877 O\n0.607253 0.607252 0.301693 O\n0.955541 0.955540 0.163457 O\n0.260948 0.260948 0.977124 O\n0.709886 0.709886 0.494006 O\n0.044460 0.044460 0.836544 O\n0.381486 0.381485 0.160053 O\n0.078376 0.593093 0.331315 O\n0.290115 0.290114 0.505995 O\n0.618515 0.618515 0.839947 O\n0.936909 0.936908 0.640944 O\n0.406908 0.921624 0.668686 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Sr",
"Zr",
"Ti",
"O"
],
"chemical_system": "O-Sr-Ti-Zr",
"density": 5.1551953496551715,
"density_atomic": 0.07842199387058171,
"volume": 382.54574411240316,
"volume_molar": 7.679147727279444,
"formula_full": "Sr6 Zr2 Ti4 O18",
"formula_reduced": "Sr3ZrTi2O9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.416188773111111,
"spacegroup": 12
}
]
}