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=4108",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=4106",
"results": [
{
"id": "jvasp-34377",
"created_at": "2022-09-04T14:37:13.204007Z",
"updated_at": "2022-09-04T14:37:13.204031Z",
"structure_string": "Sr1 Ta2 Bi2 O9\n1.0\n3.888016 0.000000 -0.600006\n-0.092594 3.886914 -0.600006\n-0.026612 -0.027253 12.724671\nSr Ta Bi O\n1 2 2 9\ndirect\n0.000000 0.000000 0.000000 Sr\n0.586065 0.586063 0.172127 Ta\n0.413938 0.413937 0.827873 Ta\n0.199970 0.199969 0.399937 Bi\n0.800033 0.800031 0.600063 Bi\n0.077260 0.577258 0.154518 O\n0.250001 0.750000 0.500000 O\n0.422743 0.922741 0.845481 O\n0.500001 0.500000 -0.000000 O\n0.922743 0.422742 0.845481 O\n0.337550 0.337549 0.675098 O\n0.577260 0.077259 0.154518 O\n0.750001 0.250000 0.500000 O\n0.662452 0.662450 0.324901 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Sr",
"Ta",
"Bi",
"O"
],
"chemical_system": "Bi-O-Sr-Ta",
"density": 8.739977761046003,
"density_atomic": 0.07285104092168944,
"volume": 192.17295762526126,
"volume_molar": 8.266375722034562,
"formula_full": "Sr1 Ta2 Bi2 O9",
"formula_reduced": "SrTa2Bi2O9",
"formula_anonymous": "AB2C2D9",
"energy_above_hull": 3.0254189149999995,
"spacegroup": 139
},
{
"id": "jvasp-9976",
"created_at": "2022-09-04T14:37:12.587830Z",
"updated_at": "2022-09-04T14:37:12.587848Z",
"structure_string": "Ba1 Mg1 C2 O6\n1.0\n4.595986 -0.040206 4.212544\n1.828354 4.216851 4.212544\n-0.061843 -0.040206 6.234163\nBa Mg C O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500001 0.499999 0.499999 Mg\n0.759592 0.759589 0.759590 C\n0.240410 0.240409 0.240409 C\n0.051336 0.610448 0.610448 O\n0.610450 0.051334 0.610448 O\n0.389552 0.389550 0.948663 O\n0.948666 0.389550 0.389550 O\n0.389551 0.948663 0.389551 O\n0.610449 0.610448 0.051335 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Mg",
"C",
"O"
],
"chemical_system": "Ba-C-Mg-O",
"density": 3.806762450895512,
"density_atomic": 0.08139490717585349,
"volume": 122.85780949900251,
"volume_molar": 7.398670222682582,
"formula_full": "Ba1 Mg1 C2 O6",
"formula_reduced": "BaMg(CO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.817259602,
"spacegroup": 166
},
{
"id": "jvasp-28781",
"created_at": "2022-09-04T14:37:29.806716Z",
"updated_at": "2022-09-04T14:37:29.806733Z",
"structure_string": "Mo3 W1 Se4 S4\n1.0\n3.257372 0.000001 -0.000000\n-1.628685 2.821003 -0.000271\n0.000003 0.005166 25.703137\nMo W Se S\n3 1 4 4\ndirect\n0.334490 0.668985 0.996490 Mo\n0.331695 0.663393 0.504913 Mo\n0.665197 0.330397 0.255421 Mo\n0.668611 0.337226 0.746095 W\n0.331815 0.663634 0.321483 Se\n0.667875 0.335754 0.930429 Se\n0.667773 0.335549 0.062572 Se\n0.331910 0.663823 0.189336 Se\n0.335264 0.670535 0.806551 S\n0.665037 0.330074 0.444747 S\n0.665018 0.330039 0.565049 S\n0.335293 0.670591 0.685664 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 6.438336093380146,
"density_atomic": 0.05080706677896747,
"volume": 236.1876164236197,
"volume_molar": 11.852958932266048,
"formula_full": "Mo3 W1 Se4 S4",
"formula_reduced": "Mo3W(SeS)4",
"formula_anonymous": "AB3C4D4",
"energy_above_hull": 3.903303430555556,
"spacegroup": 156
},
{
"id": "jvasp-34316",
"created_at": "2022-09-04T14:37:12.372464Z",
"updated_at": "2022-09-04T14:37:12.372495Z",
"structure_string": "Ba2 Pb4 Br2 F10\n1.0\n5.981559 -0.000000 -0.000000\n0.000000 5.981559 0.000000\n-0.000000 -0.000000 9.751756\nBa Pb Br F\n2 4 2 10\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.000000 Ba\n0.500000 0.000000 0.323579 Pb\n0.000000 0.500000 0.676422 Pb\n0.000000 0.500000 0.277928 Pb\n0.500000 0.000000 0.722072 Pb\n0.000000 0.000000 0.500000 Br\n0.500000 0.500000 0.500000 Br\n0.234694 0.734694 0.811948 F\n0.765306 0.265306 0.811948 F\n0.734694 0.234694 0.188052 F\n0.234694 0.265306 0.811948 F\n0.500000 0.000000 0.962764 F\n0.734694 0.765306 0.188052 F\n0.765306 0.734694 0.811948 F\n0.265306 0.765306 0.188052 F\n0.000000 0.500000 0.037236 F\n0.265306 0.234694 0.188052 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ba",
"Pb",
"Br",
"F"
],
"chemical_system": "Ba-Br-F-Pb",
"density": 6.916344791125907,
"density_atomic": 0.051589449930281445,
"volume": 348.9085466956015,
"volume_molar": 11.673202114266362,
"formula_full": "Ba2 Pb4 Br2 F10",
"formula_reduced": "BaPb2BrF5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 0.0,
"spacegroup": 129
},
{
"id": "jvasp-21965",
"created_at": "2022-09-04T14:37:33.657057Z",
"updated_at": "2022-09-04T14:37:33.657076Z",
"structure_string": "Ba2 Ho1 Re1 O6\n1.0\n5.152699 -0.000000 2.974912\n1.717566 4.858011 2.974912\n0.000000 0.000000 5.949825\nBa Ho Re O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750000 0.749999 Ba\n0.500000 0.500000 0.499999 Ho\n0.000000 0.000000 0.000000 Re\n0.235452 0.764548 0.764547 O\n0.235452 0.764548 0.235451 O\n0.764548 0.235452 0.764547 O\n0.235452 0.235452 0.764547 O\n0.764548 0.235452 0.235451 O\n0.764549 0.764548 0.235451 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Ho",
"Re",
"O"
],
"chemical_system": "Ba-Ho-O-Re",
"density": 8.04750262436393,
"density_atomic": 0.06714327806399481,
"volume": 148.93523653207575,
"volume_molar": 8.969089585200544,
"formula_full": "Ba2 Ho1 Re1 O6",
"formula_reduced": "Ba2HoReO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.3841916506666663,
"spacegroup": 225
},
{
"id": "jvasp-42685",
"created_at": "2022-09-04T14:37:29.910703Z",
"updated_at": "2022-09-04T14:37:29.910719Z",
"structure_string": "Li8 Fe4 O4 F12\n1.0\n5.904447 -0.000000 -0.000000\n0.000000 5.904447 -0.000000\n0.000000 -0.000000 8.384726\nLi Fe O F\n8 4 4 12\ndirect\n0.241300 0.254095 0.374982 Li\n0.254095 0.758701 0.124982 Li\n0.263148 0.496236 0.744484 Li\n0.503764 0.263148 0.994484 Li\n0.496236 0.736853 0.494484 Li\n0.736853 0.503764 0.244484 Li\n0.745905 0.241300 0.624982 Li\n0.758701 0.745905 0.874982 Li\n0.018263 0.253867 0.017617 Fe\n0.981737 0.746134 0.517617 Fe\n0.253867 0.981737 0.767618 Fe\n0.746134 0.018263 0.267617 Fe\n0.975893 0.241116 0.237240 O\n0.758885 0.975893 0.487240 O\n0.241116 0.024108 0.987241 O\n0.024108 0.758885 0.737241 O\n0.014330 0.252795 0.759177 F\n0.252795 0.985671 0.509177 F\n0.252534 0.495276 0.991531 F\n0.241951 0.520775 0.499970 F\n0.479225 0.241951 0.749970 F\n0.495276 0.747467 0.741531 F\n0.504725 0.252534 0.241531 F\n0.520775 0.758049 0.249970 F\n0.747467 0.504725 0.491531 F\n0.758049 0.479225 0.999970 F\n0.747206 0.014330 0.009177 F\n0.985671 0.747206 0.259177 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 3.2430339225663953,
"density_atomic": 0.09578791034409163,
"volume": 292.3124630176995,
"volume_molar": 6.286952850696003,
"formula_full": "Li8 Fe4 O4 F12",
"formula_reduced": "Li2FeOF3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 0.7526999782142862,
"spacegroup": 76
},
{
"id": "jvasp-54819",
"created_at": "2022-09-04T14:37:29.772866Z",
"updated_at": "2022-09-04T14:37:29.772889Z",
"structure_string": "Sr2 Li6 Mn2 N6\n1.0\n5.328629 -0.000033 4.801361\n2.136658 4.881493 4.801361\n-0.000051 -0.000033 7.172681\nSr Li Mn N\n2 6 2 6\ndirect\n0.662684 0.662684 0.662683 Sr\n0.337317 0.337317 0.337316 Sr\n0.105563 0.523918 0.763394 Li\n0.763394 0.105563 0.523917 Li\n0.476082 0.236606 0.894437 Li\n0.523919 0.763394 0.105562 Li\n0.236606 0.894437 0.476081 Li\n0.894438 0.476082 0.236605 Li\n0.932557 0.932557 0.932555 Mn\n0.067444 0.067444 0.067444 Mn\n0.794626 0.382246 0.094884 N\n0.905116 0.205375 0.617753 N\n0.205375 0.617754 0.905115 N\n0.617755 0.905115 0.205374 N\n0.094885 0.794625 0.382245 N\n0.382246 0.094885 0.794625 N\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Sr",
"Li",
"Mn",
"N"
],
"chemical_system": "Li-Mn-N-Sr",
"density": 3.6561764354994852,
"density_atomic": 0.0857561301153678,
"volume": 186.57558332535746,
"volume_molar": 7.022402657277572,
"formula_full": "Sr2 Li6 Mn2 N6",
"formula_reduced": "SrLi3MnN3",
"formula_anonymous": "ABC3D3",
"energy_above_hull": 2.9908579126724137,
"spacegroup": 148
},
{
"id": "jvasp-22191",
"created_at": "2022-09-04T14:37:29.766203Z",
"updated_at": "2022-09-04T14:37:29.766222Z",
"structure_string": "Rb2 Na1 Ti1 F6\n1.0\n5.222382 -0.000000 3.015143\n1.740794 4.923709 3.015143\n0.000000 0.000000 6.030287\nRb Na Ti F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ti\n0.233330 0.766669 0.766669 F\n0.233330 0.766669 0.233331 F\n0.766668 0.233331 0.766669 F\n0.233331 0.233331 0.766669 F\n0.766668 0.233331 0.233331 F\n0.766668 0.766669 0.233331 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Ti",
"F"
],
"chemical_system": "F-Na-Rb-Ti",
"density": 3.8100882652077934,
"density_atomic": 0.06449128117484704,
"volume": 155.05971997808925,
"volume_molar": 9.337914599142376,
"formula_full": "Rb2 Na1 Ti1 F6",
"formula_reduced": "Rb2NaTiF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-57520",
"created_at": "2022-09-04T14:37:29.745297Z",
"updated_at": "2022-09-04T14:37:29.745320Z",
"structure_string": "Ca4 Al4 Si2 O14\n1.0\n7.666501 0.000000 0.000000\n0.000000 7.666501 -0.000000\n0.000000 0.000000 5.145971\nCa Al Si O\n4 4 2 14\ndirect\n0.844620 0.344620 0.485057 Ca\n0.155380 0.655380 0.485057 Ca\n0.655380 0.844620 0.514943 Ca\n0.344620 0.155380 0.514943 Ca\n0.644550 0.144551 0.026440 Al\n0.355449 0.855449 0.026440 Al\n0.855449 0.644550 0.973560 Al\n0.144551 0.355449 0.973560 Al\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 Si\n0.854823 0.645177 0.309887 O\n0.093757 0.150842 0.820049 O\n0.150842 0.906243 0.179951 O\n0.000000 0.500000 0.821192 O\n0.500000 0.000000 0.178808 O\n0.849158 0.093757 0.179951 O\n0.406243 0.650842 0.179951 O\n0.145177 0.354823 0.309887 O\n0.349158 0.406243 0.820049 O\n0.354823 0.854823 0.690113 O\n0.906243 0.849158 0.820049 O\n0.645177 0.145177 0.690113 O\n0.650842 0.593757 0.820049 O\n0.593757 0.349158 0.179951 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ca",
"Al",
"Si",
"O"
],
"chemical_system": "Al-Ca-O-Si",
"density": 3.0108243052403654,
"density_atomic": 0.07935047191927458,
"volume": 302.45566812023327,
"volume_molar": 7.589294196166206,
"formula_full": "Ca4 Al4 Si2 O14",
"formula_reduced": "Ca2Al2SiO7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 2.015294961666667,
"spacegroup": 113
},
{
"id": "jvasp-102410",
"created_at": "2022-09-04T14:37:13.432271Z",
"updated_at": "2022-09-04T14:37:13.432292Z",
"structure_string": "Na2 Li1 Er1 Cl6\n1.0\n6.179428 -0.000000 3.567694\n2.059809 5.826020 3.567694\n-0.000000 -0.000000 7.135389\nNa Li Er Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Er\n0.744777 0.255224 0.255223 Cl\n0.255224 0.255224 0.744776 Cl\n0.255224 0.744776 0.744776 Cl\n0.255224 0.744776 0.255223 Cl\n0.744777 0.255224 0.744776 Cl\n0.744777 0.744776 0.255223 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Li",
"Er",
"Cl"
],
"chemical_system": "Cl-Er-Li-Na",
"density": 2.7983131401332204,
"density_atomic": 0.038928000566415356,
"volume": 256.8845009889199,
"volume_molar": 15.469946240176348,
"formula_full": "Na2 Li1 Er1 Cl6",
"formula_reduced": "Na2LiErCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-30210",
"created_at": "2022-09-04T14:37:12.177180Z",
"updated_at": "2022-09-04T14:37:12.177205Z",
"structure_string": "Cu2 H8 I4 O16\n1.0\n6.644135 0.000000 -0.037423\n0.000000 4.763873 0.000000\n-2.602910 0.000000 11.002504\nCu H I O\n2 8 4 16\ndirect\n-0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.181526 0.587029 0.923274 H\n0.181526 0.912970 0.423275 H\n0.344970 0.761469 0.537827 H\n0.655031 0.261469 0.962173 H\n0.344970 0.738531 0.037827 H\n0.655031 0.238531 0.462173 H\n0.818473 0.087029 0.576725 H\n0.818473 0.412970 0.076726 H\n0.738630 0.870919 0.234178 I\n0.738630 0.629080 0.734177 I\n0.261370 0.129080 0.765822 I\n0.261370 0.370919 0.265822 I\n0.485620 0.155813 0.340507 O\n0.928877 0.819982 0.666794 O\n0.785012 0.710520 0.386899 O\n0.772694 0.273331 0.536487 O\n0.514380 0.655813 0.159493 O\n0.785012 0.789480 0.886899 O\n0.514380 0.844186 0.659493 O\n0.071122 0.319983 0.833206 O\n0.485620 0.344186 0.840507 O\n0.227305 0.726668 0.463512 O\n0.214987 0.289480 0.613101 O\n0.071122 0.180017 0.333206 O\n0.227305 0.773331 0.963512 O\n0.772694 0.226668 0.036488 O\n0.214987 0.210520 0.113101 O\n0.928877 0.680017 0.166794 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Cu",
"H",
"I",
"O"
],
"chemical_system": "Cu-H-I-O",
"density": 4.291247810862324,
"density_atomic": 0.08626014430705393,
"volume": 347.78518214867796,
"volume_molar": 6.981371070471926,
"formula_full": "Cu2 H8 I4 O16",
"formula_reduced": "CuH4(IO4)2",
"formula_anonymous": "AB2C4D8",
"energy_above_hull": 2.3174274,
"spacegroup": 14
},
{
"id": "jvasp-56211",
"created_at": "2022-09-04T14:37:29.725000Z",
"updated_at": "2022-09-04T14:37:29.725025Z",
"structure_string": "K2 Sr1 Nb6 Cl18\n1.0\n8.296865 -0.002553 5.939972\n3.051348 7.715389 5.939973\n-0.003757 -0.002553 10.203981\nK Sr Nb Cl\n2 1 6 18\ndirect\n0.221447 0.221447 0.221447 K\n0.778552 0.778554 0.778553 K\n0.499999 0.500000 0.500000 Sr\n0.148689 0.787658 0.925556 Nb\n0.074444 0.851310 0.212342 Nb\n0.851310 0.212343 0.074444 Nb\n0.212342 0.074444 0.851310 Nb\n0.787657 0.925556 0.148689 Nb\n0.925555 0.148691 0.787658 Nb\n0.841758 0.334278 0.512272 Cl\n0.337624 0.915445 0.076406 Cl\n0.575273 0.161815 0.263393 Cl\n0.334276 0.512273 0.841759 Cl\n0.915443 0.076407 0.337624 Cl\n0.424726 0.838186 0.736606 Cl\n0.161814 0.263394 0.575274 Cl\n0.736606 0.424727 0.838185 Cl\n0.263393 0.575274 0.161814 Cl\n0.158241 0.665723 0.487727 Cl\n0.662375 0.084556 0.923594 Cl\n0.512272 0.841760 0.334277 Cl\n0.923593 0.662376 0.084555 Cl\n0.076406 0.337625 0.915444 Cl\n0.084555 0.923594 0.662375 Cl\n0.487727 0.158241 0.665723 Cl\n0.838185 0.736607 0.424726 Cl\n0.665722 0.487728 0.158241 Cl\n",
"nsites": 27,
"nelements": 4,
"elements": [
"K",
"Sr",
"Nb",
"Cl"
],
"chemical_system": "Cl-K-Nb-Sr",
"density": 3.4592024712964737,
"density_atomic": 0.04131445900224544,
"volume": 653.5242298230881,
"volume_molar": 14.576351489130468,
"formula_full": "K2 Sr1 Nb6 Cl18",
"formula_reduced": "K2Sr(NbCl3)6",
"formula_anonymous": "AB2C6D18",
"energy_above_hull": 1.4757015527777773,
"spacegroup": 148
}
]
}