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=4151",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=4149",
"results": [
{
"id": "jvasp-46443",
"created_at": "2022-09-04T14:38:29.237637Z",
"updated_at": "2022-09-04T14:38:29.237654Z",
"structure_string": "Li6 Cr3 Fe3 O12\n1.0\n-5.042962 -0.002962 0.023969\n-0.009837 -5.672877 -0.011749\n2.475078 1.430079 7.044325\nLi Cr Fe O\n6 3 3 12\ndirect\n0.005554 0.754455 0.502359 Li\n-0.005554 0.245545 0.497641 Li\n0.000587 0.920922 0.167473 Li\n0.001276 0.412969 0.167193 Li\n-0.000587 0.079078 0.832526 Li\n-0.001277 0.587031 0.832806 Li\n0.500000 0.500000 0.500000 Cr\n0.499603 0.675628 0.166447 Cr\n0.500397 0.324372 0.833552 Cr\n0.500065 0.160720 0.166213 Fe\n0.499934 0.839280 0.833787 Fe\n0.499999 -0.000000 0.500000 Fe\n0.724115 0.624911 0.993319 O\n0.268923 0.039133 0.667223 O\n0.275988 0.544302 0.673877 O\n0.724853 0.794241 0.663205 O\n0.730250 0.289804 0.662634 O\n0.269749 0.710195 0.337365 O\n0.731076 0.960866 0.332776 O\n0.275147 0.205758 0.336795 O\n0.268310 0.878571 0.000813 O\n0.724012 0.455698 0.326122 O\n0.275885 0.375089 0.006681 O\n0.731690 0.121429 0.999186 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Fe",
"O"
],
"chemical_system": "Cr-Fe-Li-O",
"density": 4.585227316448925,
"density_atomic": 0.11894370127097263,
"volume": 201.77613226718236,
"volume_molar": 5.0630177938389584,
"formula_full": "Li6 Cr3 Fe3 O12",
"formula_reduced": "Li2CrFeO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.5552571125,
"spacegroup": 2
},
{
"id": "jvasp-57293",
"created_at": "2022-09-04T14:38:16.689208Z",
"updated_at": "2022-09-04T14:38:16.689230Z",
"structure_string": "Nd6 B2 W2 O18\n1.0\n4.373105 -7.574440 0.000000\n4.373105 7.574440 -0.000000\n0.000000 0.000000 5.551013\nNd B W O\n6 2 2 18\ndirect\n0.725639 0.640967 0.205965 Nd\n0.084671 0.725639 0.705964 Nd\n0.359032 0.084671 0.205965 Nd\n0.915328 0.274360 0.205965 Nd\n0.640967 0.915328 0.705964 Nd\n0.274360 0.359032 0.705964 Nd\n0.000000 0.000000 0.363406 B\n0.000000 0.000000 0.863405 B\n0.333332 0.666666 0.248409 W\n0.666666 0.333332 0.748409 W\n0.483214 0.620884 0.475664 O\n0.046668 0.870749 0.355260 O\n0.379115 0.862330 0.475664 O\n0.516785 0.379115 0.975664 O\n0.529549 0.729080 0.043939 O\n0.870748 0.824078 0.855260 O\n0.862329 0.483214 0.975664 O\n0.199530 0.470450 0.043939 O\n0.729081 0.199530 0.543939 O\n0.270918 0.800469 0.043939 O\n0.620884 0.137669 0.975664 O\n0.137669 0.516785 0.475664 O\n0.470450 0.270919 0.543939 O\n0.129251 0.175921 0.355260 O\n0.800469 0.529549 0.543939 O\n0.175921 0.046669 0.855260 O\n0.953331 0.129250 0.855260 O\n0.824078 0.953330 0.355260 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Nd",
"B",
"W",
"O"
],
"chemical_system": "B-Nd-O-W",
"density": 6.966266158721145,
"density_atomic": 0.07614043549375847,
"volume": 367.7415268040497,
"volume_molar": 7.909254420397501,
"formula_full": "Nd6 B2 W2 O18",
"formula_reduced": "Nd3BWO9",
"formula_anonymous": "ABC3D9",
"energy_above_hull": 3.209927041666666,
"spacegroup": 173
},
{
"id": "jvasp-54566",
"created_at": "2022-09-04T14:38:12.617365Z",
"updated_at": "2022-09-04T14:38:12.617399Z",
"structure_string": "Na4 Sr8 Al4 P12\n1.0\n7.882514 -0.067511 1.909175\n2.714393 7.400719 1.909175\n0.040711 0.028173 11.534046\nNa Sr Al P\n4 8 4 12\ndirect\n0.695802 0.304198 0.000000 Na\n0.353024 0.353025 0.235480 Na\n0.646975 0.646975 0.764522 Na\n0.304197 0.695802 0.000000 Na\n0.192967 0.748208 0.685844 Sr\n0.807032 0.251792 0.314157 Sr\n0.748208 0.192967 0.685844 Sr\n-0.000000 0.500000 0.500000 Sr\n0.251791 0.807032 0.314157 Sr\n0.500000 0.000000 0.000000 Sr\n-0.000000 0.500000 0.000000 Sr\n0.500000 -0.000000 0.500000 Sr\n0.302975 0.302975 0.731379 Al\n0.909800 0.909802 0.117465 Al\n0.090199 0.090198 0.882537 Al\n0.697024 0.697025 0.268622 Al\n0.611314 0.021807 0.228450 P\n0.589457 0.589458 0.137541 P\n0.388685 0.978193 0.771551 P\n0.088691 0.088691 0.486536 P\n0.587495 0.587496 0.489728 P\n0.909302 0.909302 0.904615 P\n0.090697 0.090698 0.095386 P\n0.410542 0.410542 0.862461 P\n0.021806 0.611315 0.228450 P\n0.911308 0.911309 0.513465 P\n0.978193 0.388685 0.771551 P\n0.412504 0.412504 0.510273 P\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Na",
"Sr",
"Al",
"P"
],
"chemical_system": "Al-Na-P-Sr",
"density": 3.134638780661369,
"density_atomic": 0.04153634502404721,
"volume": 674.1084220046221,
"volume_molar": 14.498485017190415,
"formula_full": "Na4 Sr8 Al4 P12",
"formula_reduced": "NaSr2AlP3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 1.2865158457142856,
"spacegroup": 12
},
{
"id": "jvasp-12297",
"created_at": "2022-09-04T14:38:12.174720Z",
"updated_at": "2022-09-04T14:38:12.174747Z",
"structure_string": "Ba2 Pr4 Cu2 O10\n1.0\n6.798619 -0.000000 -0.000000\n0.000000 6.798619 0.000000\n0.000000 0.000000 5.887822\nBa Pr Cu O\n2 4 2 10\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Ba\n0.327739 0.827739 0.500000 Pr\n0.827739 0.672261 0.500000 Pr\n0.172261 0.327739 0.500000 Pr\n0.672261 0.172261 0.500000 Pr\n0.000000 0.500000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.860870 0.360870 0.758765 O\n0.360870 0.139131 0.758765 O\n0.639131 0.860870 0.758765 O\n0.139131 0.639131 0.758765 O\n0.139131 0.639131 0.241234 O\n0.360870 0.139131 0.241234 O\n0.860870 0.360870 0.241234 O\n0.000000 0.000000 0.500000 O\n0.639131 0.860870 0.241234 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ba",
"Pr",
"Cu",
"O"
],
"chemical_system": "Ba-Cu-O-Pr",
"density": 6.866708055069277,
"density_atomic": 0.06614186336797698,
"volume": 272.14231779134934,
"volume_molar": 9.104885247178656,
"formula_full": "Ba2 Pr4 Cu2 O10",
"formula_reduced": "BaPr2CuO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.6304581800000002,
"spacegroup": 127
},
{
"id": "jvasp-24945",
"created_at": "2022-09-04T14:38:16.654037Z",
"updated_at": "2022-09-04T14:38:16.654067Z",
"structure_string": "Na4 Li8 P4 O16\n1.0\n4.920396 0.000000 0.000000\n-0.000000 6.893028 0.000000\n0.000000 0.000000 9.985299\nNa Li P O\n4 8 4 16\ndirect\n0.239070 0.750000 0.112639 Na\n0.260930 0.750000 0.612639 Na\n0.760931 0.250000 0.887362 Na\n0.739071 0.250000 0.387361 Na\n0.790936 0.500357 0.655955 Li\n0.290936 0.000357 0.844045 Li\n0.709065 0.999643 0.155955 Li\n0.209065 0.499643 0.344045 Li\n0.709065 0.500357 0.155955 Li\n0.209065 0.000357 0.344045 Li\n0.790936 0.999643 0.655955 Li\n0.290936 0.499643 0.844045 Li\n0.702640 0.750000 0.402633 P\n0.797361 0.750000 0.902633 P\n0.297361 0.250000 0.597367 P\n0.202640 0.250000 0.097367 P\n0.242378 0.250000 0.443357 O\n0.257622 0.250000 0.943357 O\n0.111697 0.750000 0.880386 O\n0.888303 0.250000 0.119614 O\n0.674259 0.565388 0.837928 O\n0.825742 0.565388 0.337928 O\n0.174259 0.434612 0.662072 O\n0.742379 0.750000 0.056643 O\n0.611698 0.250000 0.619614 O\n0.325742 0.065388 0.162072 O\n0.674259 0.934613 0.837928 O\n0.325742 0.434612 0.162072 O\n0.757622 0.750000 0.556643 O\n0.174259 0.065388 0.662072 O\n0.388303 0.750000 0.380386 O\n0.825742 0.934613 0.337928 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Na",
"Li",
"P",
"O"
],
"chemical_system": "Li-Na-O-P",
"density": 2.5858029373183062,
"density_atomic": 0.09448846744067514,
"volume": 338.66566859168597,
"volume_molar": 6.373413521370762,
"formula_full": "Na4 Li8 P4 O16",
"formula_reduced": "NaLi2PO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.6242360625,
"spacegroup": 62
},
{
"id": "jvasp-46773",
"created_at": "2022-09-04T14:38:08.436064Z",
"updated_at": "2022-09-04T14:38:08.436092Z",
"structure_string": "Li4 Ni2 C4 O12\n1.0\n5.099380 -0.001468 0.001677\n-2.507786 5.464775 0.012254\n-0.002523 -0.018636 7.848949\nLi Ni C O\n4 2 4 12\ndirect\n0.691409 0.315479 0.057543 Li\n0.815031 0.193154 0.557555 Li\n0.191361 0.815458 0.442203 Li\n0.315004 0.693096 0.942235 Li\n0.503207 0.504317 0.499884 Ni\n0.003208 0.004306 -0.000116 Ni\n0.277568 0.126737 0.735135 C\n0.228857 0.381869 0.235133 C\n0.777561 0.626731 0.764625 C\n0.728824 0.881865 0.264621 C\n0.907641 0.655105 0.910132 O\n0.598733 0.853477 0.410128 O\n0.896149 0.598283 0.624518 O\n0.519628 0.615909 0.753311 O\n0.486796 0.392706 0.246448 O\n0.019629 0.115907 0.746455 O\n0.098785 0.353506 0.089622 O\n0.407656 0.155119 0.589626 O\n0.396154 0.098290 0.875243 O\n0.610241 0.910312 0.124513 O\n0.110249 0.410296 0.375238 O\n0.986772 0.892710 0.253303 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Ni",
"C",
"O"
],
"chemical_system": "C-Li-Ni-O",
"density": 2.924648895035783,
"density_atomic": 0.1005949953483693,
"volume": 218.69875259511738,
"volume_molar": 5.986521237110056,
"formula_full": "Li4 Ni2 C4 O12",
"formula_reduced": "Li2Ni(CO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 3.040050309090909,
"spacegroup": 14
},
{
"id": "jvasp-28952",
"created_at": "2022-09-04T14:38:12.923214Z",
"updated_at": "2022-09-04T14:38:12.923223Z",
"structure_string": "Te2 Mo2 W2 Se6\n1.0\n3.383636 0.000002 -0.000015\n-1.691817 2.930317 0.000077\n-0.000094 0.000804 35.929779\nTe Mo W Se\n2 2 2 6\ndirect\n0.666636 0.333355 0.417145 Te\n0.666608 0.333277 0.522007 Te\n0.333432 0.666487 0.094163 Mo\n0.333290 0.666651 0.469578 Mo\n0.666760 0.333325 0.276314 W\n0.666520 0.333536 0.662862 W\n0.333427 0.666653 0.322606 Se\n0.333170 0.666827 0.709079 Se\n0.666775 0.333183 0.048162 Se\n0.666757 0.333120 0.140217 Se\n0.333428 0.666675 0.230047 Se\n0.333199 0.666906 0.616565 Se\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"Se"
],
"chemical_system": "Mo-Se-Te-W",
"density": 6.0060276317397,
"density_atomic": 0.033684360803978394,
"volume": 356.248410644702,
"volume_molar": 17.87815062023898,
"formula_full": "Te2 Mo2 W2 Se6",
"formula_reduced": "TeMoWSe3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 3.4448572944444447,
"spacegroup": 156
},
{
"id": "jvasp-97629",
"created_at": "2022-09-04T14:38:11.918754Z",
"updated_at": "2022-09-04T14:38:11.918780Z",
"structure_string": "P4 Pb2 Xe6 F36\n1.0\n8.573621 0.050643 1.025057\n0.077640 8.573419 1.025057\n0.119725 0.119349 10.667954\nP Pb Xe F\n4 2 6 36\ndirect\n0.198131 0.198132 0.396276 P\n-0.000000 0.500000 0.000000 P\n0.801868 0.801868 0.603724 P\n0.500000 -0.000000 0.000000 P\n0.288959 0.288959 0.719515 Pb\n0.711041 0.711041 0.280485 Pb\n0.000000 0.000000 0.000000 Xe\n0.500000 0.500000 0.000000 Xe\n0.321507 0.798209 0.661917 Xe\n0.201791 0.678492 0.338083 Xe\n0.798208 0.321508 0.661918 Xe\n0.678492 0.201791 0.338083 Xe\n0.064314 0.334862 0.400657 F\n0.873156 0.403158 0.940128 F\n0.334861 0.064314 0.400657 F\n0.903758 0.903758 0.678344 F\n0.723391 0.428649 0.374463 F\n0.276608 0.571351 0.625538 F\n0.620874 0.025592 0.869658 F\n0.126843 0.596842 0.059873 F\n0.665138 0.935686 0.599343 F\n0.428648 0.723392 0.374462 F\n0.379125 0.974408 0.130342 F\n0.917074 0.917074 0.187989 F\n0.082925 0.082926 0.812011 F\n0.624977 0.976183 0.312294 F\n0.976183 0.624978 0.312294 F\n0.614162 0.856133 0.058261 F\n0.693054 0.693054 0.523774 F\n0.974407 0.379125 0.130343 F\n0.287461 0.287461 0.264295 F\n0.856133 0.614162 0.058261 F\n0.935685 0.665138 0.599343 F\n0.385838 0.143867 0.941739 F\n0.143867 0.385838 0.941739 F\n0.375022 0.023817 0.687706 F\n0.025592 0.620875 0.869658 F\n0.596842 0.126843 0.059873 F\n0.306946 0.306946 0.476227 F\n0.531174 0.531174 0.186233 F\n0.883276 0.883277 0.463562 F\n0.023817 0.375022 0.687706 F\n0.571351 0.276608 0.625538 F\n0.468826 0.468826 0.813767 F\n0.096241 0.096242 0.321656 F\n0.403157 0.873157 0.940128 F\n0.116723 0.116723 0.536438 F\n0.712538 0.712539 0.735705 F\n",
"nsites": 48,
"nelements": 4,
"elements": [
"P",
"Pb",
"Xe",
"F"
],
"chemical_system": "F-P-Pb-Xe",
"density": 4.268001034792065,
"density_atomic": 0.06137924713817269,
"volume": 782.0232772152734,
"volume_molar": 9.811363027055995,
"formula_full": "P4 Pb2 Xe6 F36",
"formula_reduced": "P2Pb(XeF6)3",
"formula_anonymous": "AB2C3D18",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-109830",
"created_at": "2022-09-04T14:38:16.644608Z",
"updated_at": "2022-09-04T14:38:16.644619Z",
"structure_string": "Rb2 Na1 Ga1 Br6\n1.0\n6.614506 -0.000000 3.818887\n2.204835 6.236216 3.818887\n-0.000000 -0.000000 7.637773\nRb Na Ga Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ga\n0.763036 0.236964 0.236964 Br\n0.236964 0.236964 0.763036 Br\n0.236965 0.763036 0.763035 Br\n0.236965 0.763036 0.236964 Br\n0.763036 0.236964 0.763036 Br\n0.763037 0.763036 0.236964 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Ga",
"Br"
],
"chemical_system": "Br-Ga-Na-Rb",
"density": 3.9164708591131623,
"density_atomic": 0.03174056764756501,
"volume": 315.054226850513,
"volume_molar": 18.973009011267603,
"formula_full": "Rb2 Na1 Ga1 Br6",
"formula_reduced": "Rb2NaGaBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-57132",
"created_at": "2022-09-04T14:38:30.769460Z",
"updated_at": "2022-09-04T14:38:30.769477Z",
"structure_string": "Ba4 Ti2 O2 F12\n1.0\n6.441905 -0.002509 3.366079\n3.080283 6.565208 1.496959\n-0.009282 -0.013356 7.404776\nBa Ti O F\n4 2 2 12\ndirect\n0.844510 0.823435 0.581446 Ba\n0.498910 0.827115 0.172950 Ba\n0.998911 0.172949 0.827116 Ba\n0.344511 0.581445 0.823436 Ba\n0.911963 0.319440 0.331513 Ti\n0.411963 0.331512 0.319441 Ti\n0.637277 0.393608 0.266159 O\n0.137277 0.266158 0.393609 O\n0.733692 0.601926 0.429411 F\n0.733389 0.237725 0.603771 F\n0.553759 0.055686 0.394288 F\n0.215548 0.847821 0.555742 F\n0.715548 0.555740 0.847822 F\n0.233693 0.429410 0.601927 F\n0.233389 0.603770 0.237726 F\n0.053759 0.394288 0.055687 F\n0.393776 0.930919 0.843709 F\n0.893775 0.843708 0.930921 F\n0.020273 0.048433 0.236705 F\n0.520272 0.236705 0.048434 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ba",
"Ti",
"O",
"F"
],
"chemical_system": "Ba-F-O-Ti",
"density": 4.79493838199627,
"density_atomic": 0.06381238338773193,
"volume": 313.41879018179793,
"volume_molar": 9.437260356518465,
"formula_full": "Ba4 Ti2 O2 F12",
"formula_reduced": "Ba2TiOF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.1958035468333334,
"spacegroup": 9
},
{
"id": "jvasp-57291",
"created_at": "2022-09-04T14:38:16.625661Z",
"updated_at": "2022-09-04T14:38:16.625693Z",
"structure_string": "Cu1 Bi1 W2 O8\n1.0\n5.053391 0.013210 0.004340\n-2.377349 5.624807 -0.019624\n-0.183303 -2.295863 5.733900\nCu Bi W O\n1 1 2 8\ndirect\n0.861416 0.901204 0.788505 Cu\n0.361596 0.901334 0.288697 Bi\n0.116874 0.422727 0.620718 W\n0.606265 0.379918 0.956659 W\n0.329965 0.211272 0.626126 O\n0.823804 0.198566 0.810970 O\n0.361592 0.648510 0.512046 O\n0.857370 0.628451 0.217808 O\n0.865850 0.174241 0.359523 O\n0.393131 0.591351 0.951285 O\n0.899282 0.604041 0.766346 O\n0.361659 0.154192 0.065423 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Cu",
"Bi",
"W",
"O"
],
"chemical_system": "Bi-Cu-O-W",
"density": 7.827721083824955,
"density_atomic": 0.0736363551647444,
"volume": 162.96298171131312,
"volume_molar": 8.178216787790278,
"formula_full": "Cu1 Bi1 W2 O8",
"formula_reduced": "CuBi(WO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.4561310625,
"spacegroup": 2
},
{
"id": "jvasp-48213",
"created_at": "2022-09-04T14:38:30.165409Z",
"updated_at": "2022-09-04T14:38:30.165424Z",
"structure_string": "Li2 P4 W2 O14\n1.0\n0.000000 4.901239 0.011697\n8.474949 0.000000 0.000000\n0.000000 -2.346289 -6.683319\nLi P W O\n2 4 2 14\ndirect\n0.816925 0.390689 0.333486 Li\n0.183075 0.890689 0.666513 Li\n0.197685 0.960597 0.076496 P\n0.408162 0.568854 0.534042 P\n0.591838 0.068854 0.465957 P\n0.802315 0.460597 0.923503 P\n0.786510 0.745573 0.272996 W\n0.213490 0.245573 0.727003 W\n0.129205 0.043112 0.874093 O\n0.071428 0.429592 0.868605 O\n0.791790 0.213122 0.505697 O\n0.759318 0.913222 0.486807 O\n0.392992 0.064339 0.592705 O\n0.607007 0.564340 0.407295 O\n0.870795 0.543112 0.125906 O\n0.208210 0.713122 0.494303 O\n0.928572 0.929592 0.131395 O\n0.605135 0.589058 0.764799 O\n0.394865 0.089058 0.235200 O\n0.374690 0.810997 0.081962 O\n0.240682 0.413221 0.513193 O\n0.625310 0.310997 0.918038 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"P",
"W",
"O"
],
"chemical_system": "Li-O-P-W",
"density": 4.366894253973889,
"density_atomic": 0.07931430720702191,
"volume": 277.37744644956416,
"volume_molar": 7.592754664402899,
"formula_full": "Li2 P4 W2 O14",
"formula_reduced": "LiP2WO7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 3.267279590909091,
"spacegroup": 4
}
]
}