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=345",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=343",
"results": [
{
"id": "jvasp-116265",
"created_at": "2022-09-04T14:38:40.951102Z",
"updated_at": "2022-09-04T14:38:40.951127Z",
"structure_string": "Li2 H1\n1.0\n2.652844 0.000000 -0.231936\n0.000000 3.060337 0.000000\n-0.652010 0.000000 5.212943\nLi H\n2 1\ndirect\n-0.138806 0.000000 -0.109549 Li\n0.072141 0.000000 0.376208 Li\n0.466665 0.000000 0.133342 H\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"H"
],
"chemical_system": "H-Li",
"density": 0.5906814998120947,
"density_atomic": 0.07166920358494988,
"volume": 41.85898335599731,
"volume_molar": 8.402689661343768,
"formula_full": "Li2 H1",
"formula_reduced": "Li2H",
"formula_anonymous": "AB2",
"energy_above_hull": 1.0995833333333336,
"spacegroup": 10
},
{
"id": "jvasp-112500",
"created_at": "2022-09-04T14:38:40.844137Z",
"updated_at": "2022-09-04T14:38:40.844155Z",
"structure_string": "Li4 Mn1 Co3 O8\n1.0\n2.847261 -0.019640 0.087023\n0.005482 4.868069 0.856326\n-0.293280 0.046032 9.451220\nLi Mn Co O\n4 1 3 8\ndirect\n0.000000 0.000000 0.000000 Li\n0.500012 0.745958 0.247883 Li\n-0.000000 0.500000 0.500000 Li\n0.499987 0.254042 0.752117 Li\n0.500000 -0.000000 0.500000 Mn\n-0.000018 0.751840 0.751134 Co\n0.499999 0.500000 0.000000 Co\n0.000017 0.248160 0.248866 Co\n0.500153 0.850745 0.871015 O\n0.000207 0.596544 0.119933 O\n0.500175 0.349871 0.371038 O\n0.000184 0.107964 0.620939 O\n0.499845 0.149255 0.128985 O\n0.999815 0.892036 0.379061 O\n0.499824 0.650128 0.628962 O\n-0.000208 0.403456 0.880068 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.911179048580435,
"density_atomic": 0.12212047892452708,
"volume": 131.01815633959578,
"volume_molar": 4.931311122454576,
"formula_full": "Li4 Mn1 Co3 O8",
"formula_reduced": "Li4MnCo3O8",
"formula_anonymous": "AB3C4D8",
"energy_above_hull": 2.708717996336207,
"spacegroup": 10
},
{
"id": "jvasp-116510",
"created_at": "2022-09-04T14:38:41.083542Z",
"updated_at": "2022-09-04T14:38:41.083573Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n2.847813 0.000000 0.000000\n-0.000000 7.268708 3.388489\n-0.000000 -0.058327 9.498512\nLi Mn Co O\n7 2 3 12\ndirect\n0.000000 0.319766 0.334711 Li\n0.000000 0.680234 0.665289 Li\n0.000000 0.000000 0.000000 Li\n0.499999 0.830788 0.829573 Li\n0.499999 0.169212 0.170427 Li\n0.499999 0.500000 0.500000 Li\n0.499999 -0.000000 0.500000 Li\n0.000000 0.158695 0.664741 Mn\n0.000000 0.841305 0.335259 Mn\n0.499999 0.665077 0.167908 Co\n0.499999 0.334922 0.832092 Co\n0.000000 0.500000 -0.000000 Co\n0.499999 0.564990 0.848747 O\n0.000000 0.930392 0.672615 O\n0.000000 0.269377 0.981853 O\n0.000000 0.598993 0.318892 O\n0.499999 0.435010 0.151253 O\n0.499999 0.756283 0.482542 O\n0.499999 0.099299 0.821419 O\n0.000000 0.730623 0.018147 O\n0.000000 0.069608 0.327385 O\n0.000000 0.401007 0.681108 O\n0.499999 0.243717 0.517458 O\n0.499999 0.900701 0.178581 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.440219985108538,
"density_atomic": 0.12171540074729517,
"volume": 197.18129220006156,
"volume_molar": 4.94772290361442,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy_above_hull": 2.689442465948276,
"spacegroup": 10
},
{
"id": "jvasp-114371",
"created_at": "2022-09-04T14:38:41.632781Z",
"updated_at": "2022-09-04T14:38:41.632810Z",
"structure_string": "Pd1 Se1 O4\n1.0\n4.680006 0.000000 -0.152522\n0.000000 3.127583 0.000000\n-1.999063 0.000000 5.113195\nPd Se O\n1 1 4\ndirect\n0.500001 0.500000 0.000000 Pd\n0.500001 0.000000 0.500000 Se\n0.727826 0.000000 0.235590 O\n0.730186 0.500000 0.751006 O\n0.272177 0.000000 0.764410 O\n0.269817 0.500000 0.248994 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Pd",
"Se",
"O"
],
"chemical_system": "O-Pd-Se",
"density": 5.604386045816254,
"density_atomic": 0.0812031272727351,
"volume": 73.88877992159017,
"volume_molar": 7.416143887874631,
"formula_full": "Pd1 Se1 O4",
"formula_reduced": "PdSeO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.283357177777778,
"spacegroup": 10
},
{
"id": "jvasp-116458",
"created_at": "2022-09-04T14:38:41.633176Z",
"updated_at": "2022-09-04T14:38:41.633210Z",
"structure_string": "Au1 S2\n1.0\n5.577427 0.000000 -0.893055\n0.000000 3.091908 0.000000\n-1.043668 0.000000 4.033038\nAu S\n1 2\ndirect\n0.466652 0.000000 0.133342 Au\n-0.191446 0.000000 -0.311278 S\n0.124795 0.000000 0.577937 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Au",
"S"
],
"chemical_system": "Au-S",
"density": 6.503336506715003,
"density_atomic": 0.04499945137151766,
"volume": 66.66747945951283,
"volume_molar": 13.382698180653168,
"formula_full": "Au1 S2",
"formula_reduced": "AuS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.2549925233333332,
"spacegroup": 10
},
{
"id": "jvasp-112639",
"created_at": "2022-09-04T14:38:42.354639Z",
"updated_at": "2022-09-04T14:38:42.354672Z",
"structure_string": "Sr2 Ca2 Pb2 O8\n1.0\n3.472213 -0.000000 0.000000\n0.000000 6.039183 0.047416\n-0.000000 0.008256 10.032165\nSr Ca Pb O\n2 2 2 8\ndirect\n0.500000 0.424422 0.184849 Sr\n0.500000 0.575578 0.815151 Sr\n0.500000 0.927458 0.322776 Ca\n0.500000 0.072542 0.677224 Ca\n-0.000000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n-0.000000 0.121486 0.203637 O\n-0.000000 0.878514 0.796363 O\n-0.000000 0.652053 0.306272 O\n-0.000000 0.347947 0.693728 O\n0.500000 0.262287 0.449254 O\n0.500000 0.737713 0.550745 O\n0.500000 0.766488 0.047000 O\n0.500000 0.233513 0.953000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Sr",
"Ca",
"Pb",
"O"
],
"chemical_system": "Ca-O-Pb-Sr",
"density": 6.2974094292829275,
"density_atomic": 0.06655054659344228,
"volume": 210.366416455241,
"volume_molar": 9.048972650501726,
"formula_full": "Sr2 Ca2 Pb2 O8",
"formula_reduced": "SrCaPbO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.114065935714286,
"spacegroup": 10
},
{
"id": "jvasp-116509",
"created_at": "2022-09-04T14:38:43.130071Z",
"updated_at": "2022-09-04T14:38:43.130098Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n2.848644 -0.000000 0.000000\n0.000000 4.918736 0.071595\n-0.000000 -0.356164 14.187849\nLi Mn Co O\n7 2 3 12\ndirect\n0.499999 0.838124 0.347721 Li\n0.499999 0.161877 0.652279 Li\n0.499999 0.500000 -0.000000 Li\n-0.000000 0.349457 0.355494 Li\n-0.000000 0.650545 0.644506 Li\n0.000000 0.000000 0.000000 Li\n0.499999 0.500001 0.500000 Li\n-0.000000 0.670313 0.167616 Mn\n-0.000000 0.329688 0.832384 Mn\n0.499999 0.169938 0.166116 Co\n0.499999 0.830063 0.833884 Co\n0.000000 0.000000 0.500000 Co\n-0.000000 0.996178 0.763985 O\n0.499999 0.503804 0.238549 O\n0.499999 0.845307 0.574238 O\n0.499999 0.166743 0.909057 O\n0.000000 0.003824 0.236015 O\n-0.000000 0.305573 0.578716 O\n-0.000000 0.661348 0.908182 O\n0.499999 0.154694 0.425762 O\n0.499999 0.496198 0.761451 O\n0.499999 0.833259 0.090942 O\n-0.000000 0.694428 0.421284 O\n-0.000000 0.338654 0.091818 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.402539753384825,
"density_atomic": 0.12068250946715953,
"volume": 198.86891734324558,
"volume_molar": 4.9900692209576265,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy_above_hull": 2.693264965948276,
"spacegroup": 10
},
{
"id": "jvasp-112806",
"created_at": "2022-09-04T14:38:42.722593Z",
"updated_at": "2022-09-04T14:38:42.722620Z",
"structure_string": "Li6 Si2 Ni6 O16\n1.0\n5.029030 -0.012362 0.000002\n-1.301772 9.463353 0.000007\n-0.000000 -0.000000 5.551767\nLi Si Ni O\n6 2 6 16\ndirect\n0.000000 0.000000 0.499999 Li\n0.500000 0.499999 0.500000 Li\n0.500001 0.000000 0.244124 Li\n-0.000002 0.500000 0.244123 Li\n0.500001 0.000000 0.755876 Li\n-0.000001 0.500000 0.755877 Li\n0.750000 0.250000 -0.000000 Si\n0.250000 0.750000 0.000000 Si\n0.250000 0.250000 0.753918 Ni\n0.250000 0.250000 0.246084 Ni\n0.250001 0.749999 0.500001 Ni\n0.750000 0.750000 0.753917 Ni\n0.750000 0.750000 0.246084 Ni\n0.750001 0.250000 0.500000 Ni\n0.140712 0.858140 0.760139 O\n0.640712 0.358141 0.760141 O\n0.359287 0.641859 0.239862 O\n0.859288 0.141860 0.239860 O\n0.140712 0.858140 0.239862 O\n0.640712 0.358140 0.239860 O\n0.623495 0.860331 0.500001 O\n0.420244 0.148465 0.000001 O\n0.876505 0.639669 0.500000 O\n0.376501 0.139670 0.500001 O\n0.579756 0.851534 0.000000 O\n0.079758 0.351535 0.000000 O\n0.920243 0.648465 0.000000 O\n0.859289 0.141860 0.760140 O\n0.123499 0.360330 0.500000 O\n0.359288 0.641860 0.760138 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Li",
"Si",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O-Si",
"density": 4.438337961704871,
"density_atomic": 0.11358150876743224,
"volume": 264.12750037884723,
"volume_molar": 5.302043286227906,
"formula_full": "Li6 Si2 Ni6 O16",
"formula_reduced": "Li3SiNi3O8",
"formula_anonymous": "AB3C3D8",
"energy_above_hull": 2.1706182533333336,
"spacegroup": 10
},
{
"id": "jvasp-112655",
"created_at": "2022-09-04T14:38:42.979210Z",
"updated_at": "2022-09-04T14:38:42.979241Z",
"structure_string": "Nb4 Cr1 C2 S4\n1.0\n3.302400 0.000000 0.000000\n-0.000000 5.623643 1.226740\n-0.000000 0.015297 8.670317\nNb Cr C S\n4 1 2 4\ndirect\n0.500000 0.623078 0.637670 Nb\n0.000000 0.120447 0.635978 Nb\n0.500000 0.376922 0.362330 Nb\n0.000000 0.879553 0.364022 Nb\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 C\n0.500000 0.000000 0.500000 C\n0.500000 0.772993 0.157339 S\n0.000000 0.274248 0.162543 S\n0.500000 0.227007 0.842661 S\n0.000000 0.725752 0.837457 S\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Nb",
"Cr",
"C",
"S"
],
"chemical_system": "C-Cr-Nb-S",
"density": 5.941323973162976,
"density_atomic": 0.0683403921157871,
"volume": 160.95898281301965,
"volume_molar": 8.811978646240227,
"formula_full": "Nb4 Cr1 C2 S4",
"formula_reduced": "Nb4Cr(CS2)2",
"formula_anonymous": "AB2C4D4",
"energy_above_hull": 5.025972272727272,
"spacegroup": 10
},
{
"id": "jvasp-116511",
"created_at": "2022-09-04T14:38:42.962582Z",
"updated_at": "2022-09-04T14:38:42.962607Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n2.847664 -0.074079 0.056779\n0.122016 4.919009 0.130511\n-0.307913 -0.183435 14.179189\nLi Mn Co O\n7 2 3 12\ndirect\n0.001080 0.332649 0.653457 Li\n0.498773 0.149062 0.357007 Li\n0.000000 0.000000 0.000000 Li\n0.501228 0.850938 0.642993 Li\n-0.001078 0.667352 0.346543 Li\n0.500000 0.500000 0.000000 Li\n0.000001 0.000000 0.500000 Li\n-0.000649 0.672200 0.832486 Mn\n0.000651 0.327801 0.167514 Mn\n0.499353 0.170800 0.833672 Co\n0.500649 0.829201 0.166328 Co\n0.500001 0.500000 0.500000 Co\n0.501234 0.493370 0.237535 O\n0.498767 0.506631 0.762465 O\n-0.000607 0.346953 0.425356 O\n0.500081 0.165476 0.090851 O\n0.998729 0.004169 0.763032 O\n0.499691 0.806425 0.421708 O\n0.000073 0.661043 0.091995 O\n0.500311 0.193575 0.578292 O\n0.001271 -0.004169 0.236968 O\n0.499921 0.834525 0.909149 O\n0.000609 0.653048 0.574644 O\n-0.000071 0.338958 0.908005 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.40181517291319,
"density_atomic": 0.12066264725250023,
"volume": 198.9016530507348,
"volume_molar": 4.990890633617535,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy_above_hull": 2.6932391326149427,
"spacegroup": 10
},
{
"id": "jvasp-112910",
"created_at": "2022-09-04T14:38:43.126576Z",
"updated_at": "2022-09-04T14:38:43.126603Z",
"structure_string": "Li7 Co5 O12\n1.0\n2.832241 -0.018899 0.029892\n0.030116 4.927708 0.160825\n-0.152303 -0.308765 13.936524\nLi Co O\n7 5 12\ndirect\n0.000000 0.000000 0.000000 Li\n0.500043 0.830717 0.161823 Li\n-0.000108 0.671753 0.330102 Li\n0.500001 0.500001 0.500000 Li\n0.000110 0.328249 0.669898 Li\n0.499959 0.169285 0.838176 Li\n0.500001 0.500000 -0.000000 Li\n0.000000 0.000000 0.500000 Co\n0.499893 0.170752 0.333564 Co\n0.500109 0.829249 0.666436 Co\n0.000176 0.659435 0.837341 Co\n-0.000173 0.340566 0.162658 Co\n0.500067 0.526511 0.752676 O\n0.500282 0.816666 0.906280 O\n-0.000080 0.648366 0.091068 O\n0.499935 0.473490 0.247324 O\n-0.000003 0.308984 0.413972 O\n0.500137 0.137135 0.579572 O\n0.000221 0.964848 0.743753 O\n0.499720 0.183336 0.093719 O\n-0.000219 0.035153 0.256246 O\n0.499865 0.862866 0.420427 O\n0.000005 0.691017 0.586027 O\n0.000082 0.351635 0.908932 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 4.565524039210261,
"density_atomic": 0.12328195995623595,
"volume": 194.67568497872517,
"volume_molar": 4.884851572880419,
"formula_full": "Li7 Co5 O12",
"formula_reduced": "Li7Co5O12",
"formula_anonymous": "A5B7C12",
"energy_above_hull": 2.5969173541666666,
"spacegroup": 10
},
{
"id": "jvasp-114821",
"created_at": "2022-09-04T14:38:43.378138Z",
"updated_at": "2022-09-04T14:38:43.378152Z",
"structure_string": "Ag1 Se2\n1.0\n4.023535 0.000000 0.760357\n0.000000 2.897756 0.000000\n0.557023 0.000000 6.012547\nAg Se\n1 2\ndirect\n0.466683 0.000000 0.133343 Ag\n0.051814 0.000000 -0.162425 Se\n-0.118498 0.000000 0.429083 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ag",
"Se"
],
"chemical_system": "Ag-Se",
"density": 6.408073331213009,
"density_atomic": 0.043557599187213164,
"volume": 68.87431942944836,
"volume_molar": 13.825694878444697,
"formula_full": "Ag1 Se2",
"formula_reduced": "AgSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7545913311111112,
"spacegroup": 10
}
]
}