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=density&page=1561",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=1559",
"results": [
{
"id": "jvasp-11323",
"created_at": "2022-09-04T14:37:16.738331Z",
"updated_at": "2022-09-04T14:37:16.738345Z",
"structure_string": "Ti3 Zn2 O8\n1.0\n4.659840 -0.336335 -2.079776\n-0.884990 5.259819 -2.833466\n-0.648888 -0.086285 6.479391\nTi Zn O\n3 2 8\ndirect\n0.500000 0.999999 -0.000001 Ti\n0.999999 0.734174 -0.000002 Ti\n0.999999 0.265824 -0.000001 Ti\n0.715359 0.685531 0.371061 Zn\n0.284639 0.314469 0.628937 Zn\n0.005152 0.389581 0.779165 O\n0.994847 0.610416 0.220833 O\n0.028055 0.889373 0.778747 O\n0.971944 0.110624 0.221250 O\n0.454867 0.338049 0.212711 O\n0.454867 0.874661 0.212710 O\n0.545133 0.125336 0.787287 O\n0.545133 0.661949 0.787287 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ti",
"Zn",
"O"
],
"chemical_system": "O-Ti-Zn",
"density": 4.519125040030398,
"density_atomic": 0.08791749706213428,
"volume": 147.86590194682702,
"volume_molar": 6.849763654831926,
"formula_full": "Ti3 Zn2 O8",
"formula_reduced": "Ti3Zn2O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.401129523076923,
"spacegroup": 12
},
{
"id": "jvasp-18580",
"created_at": "2022-09-04T14:36:04.831326Z",
"updated_at": "2022-09-04T14:36:04.831351Z",
"structure_string": "Y3 Al1\n1.0\n4.760938 -0.000000 0.000000\n0.000000 4.760938 0.000000\n-0.000000 0.000000 4.760938\nY Al\n3 1\ndirect\n0.000000 0.500000 0.500000 Y\n0.500000 0.500000 0.000000 Y\n0.500000 0.000000 0.500000 Y\n0.000000 0.000000 0.000000 Al\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Y",
"Al"
],
"chemical_system": "Al-Y",
"density": 4.519330668285462,
"density_atomic": 0.03706657118282279,
"volume": 107.91394705139763,
"volume_molar": 16.246824477767586,
"formula_full": "Y3 Al1",
"formula_reduced": "Y3Al",
"formula_anonymous": "AB3",
"energy_above_hull": 2.5438222874999994,
"spacegroup": 221
},
{
"id": "jvasp-22439",
"created_at": "2022-09-04T14:37:59.656937Z",
"updated_at": "2022-09-04T14:37:59.656963Z",
"structure_string": "Ba4 Si10 N16\n1.0\n5.831452 0.000000 0.000000\n0.000000 7.019025 0.000000\n0.000000 0.000000 9.463898\nBa Si N\n4 10 16\ndirect\n0.500000 0.121599 0.132275 Ba\n0.000000 0.878402 0.632275 Ba\n0.500000 0.145553 0.499610 Ba\n0.000000 0.854448 -0.000390 Ba\n0.250944 0.663597 0.320856 Si\n0.249056 0.336404 0.820856 Si\n0.749056 0.663597 0.320856 Si\n0.000000 0.052316 0.322473 Si\n0.750944 0.336404 0.820856 Si\n0.000000 0.419330 0.539416 Si\n0.500000 0.580671 0.039416 Si\n0.000000 0.399555 0.103477 Si\n0.500000 0.600446 0.603477 Si\n0.500000 0.947685 0.822473 Si\n0.253245 0.553722 0.493232 N\n0.238405 0.905144 0.330370 N\n0.261595 0.094857 0.830371 N\n0.761594 0.905144 0.330370 N\n0.738405 0.094857 0.830371 N\n0.246755 0.446278 0.993232 N\n0.753245 0.446278 0.993232 N\n0.500000 0.580564 0.229574 N\n0.000000 0.576180 0.235412 N\n0.500000 0.423821 0.735413 N\n0.000000 0.175222 0.164723 N\n0.500000 0.824779 0.664724 N\n0.000000 0.419437 0.729575 N\n0.000000 0.198035 0.471165 N\n0.746755 0.553722 0.493232 N\n0.500000 0.801965 0.971165 N\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Ba",
"Si",
"N"
],
"chemical_system": "Ba-N-Si",
"density": 4.519365677491622,
"density_atomic": 0.07744577129802019,
"volume": 387.367825217423,
"volume_molar": 7.775945231181329,
"formula_full": "Ba4 Si10 N16",
"formula_reduced": "Ba2Si5N8",
"formula_anonymous": "A2B5C8",
"energy_above_hull": 4.586508729333333,
"spacegroup": 31
},
{
"id": "jvasp-17384",
"created_at": "2022-09-04T14:38:32.009586Z",
"updated_at": "2022-09-04T14:38:32.009612Z",
"structure_string": "Ca2 Zn2 Ge2\n1.0\n2.149258 -3.722624 -0.000000\n2.149258 3.722624 0.000000\n0.000000 -0.000000 8.180051\nCa Zn Ge\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.333334 0.666667 0.250000 Zn\n0.666667 0.333334 0.750000 Zn\n0.333334 0.666667 0.750000 Ge\n0.666667 0.333334 0.250000 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Zn",
"Ge"
],
"chemical_system": "Ca-Ge-Zn",
"density": 4.519445096386218,
"density_atomic": 0.04583819612456577,
"volume": 130.89520328624926,
"volume_molar": 13.13782231664346,
"formula_full": "Ca2 Zn2 Ge2",
"formula_reduced": "CaZnGe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-117394",
"created_at": "2022-09-04T14:38:27.252775Z",
"updated_at": "2022-09-04T14:38:27.252801Z",
"structure_string": "Zr2 Cr2 Ag2 S8\n1.0\n12.648823 0.000000 -6.114781\n0.000000 3.593641 0.000000\n-0.079978 -0.000000 6.171207\nZr Cr Ag S\n2 2 2 8\ndirect\n0.752012 0.000000 0.754970 Zr\n0.747988 0.500000 0.245030 Zr\n0.242009 0.000000 0.226927 Cr\n0.257991 0.500000 0.773073 Cr\n0.015525 0.500000 0.501763 Ag\n0.484474 0.000000 0.498237 Ag\n0.142899 0.500000 0.973712 S\n0.873599 0.500000 0.038767 S\n0.626401 0.000000 0.961233 S\n0.357101 0.000000 0.026288 S\n0.154458 0.000000 0.487841 S\n0.871084 0.000000 0.541007 S\n0.628915 0.500000 0.458994 S\n0.345541 0.500000 0.512160 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Zr",
"Cr",
"Ag",
"S"
],
"chemical_system": "Ag-Cr-S-Zr",
"density": 4.519514603376853,
"density_atomic": 0.05022299344025439,
"volume": 278.75678132675415,
"volume_molar": 11.990804106816093,
"formula_full": "Zr2 Cr2 Ag2 S8",
"formula_reduced": "ZrCrAgS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.5346984514285724,
"spacegroup": 11
},
{
"id": "jvasp-57814",
"created_at": "2022-09-04T14:38:02.061002Z",
"updated_at": "2022-09-04T14:38:02.061019Z",
"structure_string": "K2 Y1 Nb5 O15\n1.0\n3.969082 0.000000 0.000000\n0.000000 8.653168 -3.473407\n0.000000 0.000040 9.324262\nK Y Nb O\n2 1 5 15\ndirect\n0.000000 0.699841 0.300159 K\n0.000000 0.300159 0.699841 K\n0.000000 0.000000 0.000000 Y\n0.500000 0.058109 0.317446 Nb\n0.500000 0.317446 0.058109 Nb\n0.500000 0.941892 0.682554 Nb\n0.500000 0.682555 0.941891 Nb\n0.500000 0.500000 0.500000 Nb\n0.000000 0.500000 0.500000 O\n0.000000 0.723919 0.953868 O\n0.500000 0.272181 0.458282 O\n0.500000 -0.000000 0.500000 O\n0.000000 0.276081 0.046131 O\n0.500000 0.727820 0.541717 O\n0.500000 0.165136 0.834864 O\n0.000000 0.046131 0.276081 O\n0.500000 0.874516 0.874515 O\n0.500000 0.541718 0.727819 O\n0.500000 0.458283 0.272180 O\n0.500000 0.834864 0.165136 O\n0.500000 0.125485 0.125485 O\n0.000000 0.953869 0.723919 O\n0.500000 0.500000 -0.000000 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"K",
"Y",
"Nb",
"O"
],
"chemical_system": "K-Nb-O-Y",
"density": 4.519584672509063,
"density_atomic": 0.07182033277621623,
"volume": 320.2435732463857,
"volume_molar": 8.38500815467437,
"formula_full": "K2 Y1 Nb5 O15",
"formula_reduced": "K2YNb5O15",
"formula_anonymous": "AB2C5D15",
"energy_above_hull": 3.456761345652174,
"spacegroup": 65
},
{
"id": "jvasp-41421",
"created_at": "2022-09-04T14:37:27.955579Z",
"updated_at": "2022-09-04T14:37:27.955599Z",
"structure_string": "Ti6 Al16 Ni7\n1.0\n-0.000000 5.920552 5.920552\n5.920552 -0.000000 5.920552\n5.920552 5.920552 -0.000000\nTi Al Ni\n6 16 7\ndirect\n0.679716 0.320284 0.320284 Ti\n0.320284 0.679716 0.679716 Ti\n0.320284 0.679716 0.320284 Ti\n0.320284 0.320284 0.679716 Ti\n0.679716 0.320284 0.679716 Ti\n0.679716 0.679716 0.320284 Ti\n0.356972 0.881010 0.881010 Al\n0.881010 0.356972 0.881010 Al\n0.881010 0.881010 0.356972 Al\n0.881010 0.881010 0.881010 Al\n0.118990 0.643028 0.118990 Al\n0.643028 0.118990 0.118990 Al\n0.118990 0.118990 0.643028 Al\n0.118990 0.118990 0.118990 Al\n0.661782 0.014653 0.661782 Al\n0.661782 0.661782 0.014653 Al\n0.661782 0.661782 0.661782 Al\n0.338218 0.985346 0.338218 Al\n0.985346 0.338218 0.338218 Al\n0.338218 0.338218 0.985346 Al\n0.338218 0.338218 0.338218 Al\n0.014653 0.661782 0.661782 Al\n0.500000 0.500000 0.000001 Ni\n0.500001 0.000000 0.000000 Ni\n0.000001 0.500000 0.500000 Ni\n0.000000 0.500001 0.000000 Ni\n0.000000 0.000000 0.500001 Ni\n0.500000 0.000001 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Ti",
"Al",
"Ni"
],
"chemical_system": "Al-Ni-Ti",
"density": 4.519796243855671,
"density_atomic": 0.06986849728486251,
"volume": 415.06546050022246,
"volume_molar": 8.619250440505379,
"formula_full": "Ti6 Al16 Ni7",
"formula_reduced": "Ti6Al16Ni7",
"formula_anonymous": "A6B7C16",
"energy_above_hull": 2.517507986206897,
"spacegroup": 225
},
{
"id": "jvasp-69508",
"created_at": "2022-09-04T14:35:54.735829Z",
"updated_at": "2022-09-04T14:35:54.735860Z",
"structure_string": "Sr1 Be2 Ni1\n1.0\n2.972513 0.000000 -0.000000\n-0.000000 2.972513 0.000000\n-0.000000 -0.000000 6.833128\nSr Be Ni\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.846890 Be\n0.000000 0.000000 0.153111 Be\n0.500000 0.500000 0.000000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Be",
"Ni"
],
"chemical_system": "Be-Ni-Sr",
"density": 4.519801788598198,
"density_atomic": 0.0662510719998463,
"volume": 60.37638153250229,
"volume_molar": 9.089876704204833,
"formula_full": "Sr1 Be2 Ni1",
"formula_reduced": "SrBe2Ni",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0874927275,
"spacegroup": 123
},
{
"id": "jvasp-101705",
"created_at": "2022-09-04T14:36:36.312694Z",
"updated_at": "2022-09-04T14:36:36.312722Z",
"structure_string": "Na2 Mn3 Te4\n1.0\n7.992843 0.032908 3.826497\n6.741026 4.294788 3.826497\n0.024061 0.007067 7.781267\nNa Mn Te\n2 3 4\ndirect\n0.237382 0.237383 0.767272 Na\n0.744631 0.744633 0.246269 Na\n0.573335 0.573337 0.770069 Mn\n0.940193 0.940195 0.709031 Mn\n0.447644 0.447645 0.237279 Mn\n0.869536 0.869538 0.458004 Te\n0.384428 0.384429 0.952326 Te\n0.117536 0.117537 0.536861 Te\n0.620519 0.620520 0.051893 Te\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Na",
"Mn",
"Te"
],
"chemical_system": "Mn-Na-Te",
"density": 4.519822646805024,
"density_atomic": 0.033967446300392,
"volume": 264.9595710083197,
"volume_molar": 17.72915369245907,
"formula_full": "Na2 Mn3 Te4",
"formula_reduced": "Na2Mn3Te4",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 1.931243421200511,
"spacegroup": 8
},
{
"id": "jvasp-109290",
"created_at": "2022-09-04T14:38:17.980435Z",
"updated_at": "2022-09-04T14:38:17.980465Z",
"structure_string": "Mg5 Pt1\n1.0\n5.152617 -0.176699 1.653709\n3.990263 3.264734 1.653709\n-0.003304 -0.001116 6.635272\nMg Pt\n5 1\ndirect\n0.659404 0.659400 0.694608 Mg\n0.000001 -0.000001 0.500000 Mg\n0.340599 0.340598 0.305392 Mg\n0.650518 0.650516 0.149273 Mg\n0.349485 0.349481 0.850727 Mg\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Pt"
],
"chemical_system": "Mg-Pt",
"density": 4.5198896112803215,
"density_atomic": 0.05158301526778751,
"volume": 116.3173569604581,
"volume_molar": 11.674658274117407,
"formula_full": "Mg5 Pt1",
"formula_reduced": "Mg5Pt",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-107844",
"created_at": "2022-09-04T14:37:49.281831Z",
"updated_at": "2022-09-04T14:37:49.281851Z",
"structure_string": "Rb2 Ti1 Au1 F6\n1.0\n5.633314 -0.000000 3.252395\n1.877771 5.311140 3.252395\n-0.000000 -0.000000 6.504791\nRb Ti Au F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ti\n0.499999 0.500000 0.500001 Au\n0.794604 0.205396 0.205396 F\n0.205395 0.205396 0.794605 F\n0.205395 0.794605 0.794605 F\n0.205395 0.794605 0.205396 F\n0.794604 0.205396 0.794605 F\n0.794604 0.794605 0.205397 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Ti",
"Au",
"F"
],
"chemical_system": "Au-F-Rb-Ti",
"density": 4.52004613177586,
"density_atomic": 0.05138246605246534,
"volume": 194.61891902559236,
"volume_molar": 11.720225249311595,
"formula_full": "Rb2 Ti1 Au1 F6",
"formula_reduced": "Rb2TiAuF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-111910",
"created_at": "2022-09-04T14:38:48.413470Z",
"updated_at": "2022-09-04T14:38:48.413481Z",
"structure_string": "Ti4 Mn8 O16\n1.0\n6.154108 -0.000022 0.000083\n-0.000049 6.153975 0.000078\n0.000097 0.000093 8.603594\nTi Mn O\n4 8 16\ndirect\n0.500001 0.244704 0.000003 Ti\n0.755298 0.500000 0.749998 Ti\n0.244705 0.500001 0.249999 Ti\n0.500000 0.755296 0.499999 Ti\n0.748612 0.748597 0.124996 Mn\n0.251396 0.748612 0.874999 Mn\n0.251398 0.251382 0.625001 Mn\n0.748599 0.251409 0.375002 Mn\n0.250242 0.000002 0.250001 Mn\n0.749757 -0.000003 0.750000 Mn\n0.000003 0.250243 0.000001 Mn\n-0.000002 0.749757 0.499998 Mn\n0.266949 0.485580 0.018546 O\n0.733053 0.514428 0.518546 O\n0.733059 0.485577 0.981450 O\n0.266939 0.514417 0.481453 O\n0.485583 0.733063 0.268545 O\n0.514419 0.266944 0.768549 O\n0.968724 0.732499 0.750979 O\n0.968724 0.267515 0.749017 O\n0.732498 0.968723 0.499015 O\n0.732484 0.031278 0.000985 O\n0.267515 0.968718 0.500981 O\n0.031279 0.732483 0.249015 O\n0.485578 0.266949 0.231455 O\n0.267501 0.031280 0.999021 O\n0.031278 0.267503 0.250984 O\n0.514421 0.733050 0.731452 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"O"
],
"chemical_system": "Mn-O-Ti",
"density": 4.520159235693993,
"density_atomic": 0.08593246746485353,
"volume": 325.837262981562,
"volume_molar": 7.0079923661717975,
"formula_full": "Ti4 Mn8 O16",
"formula_reduced": "TiMn2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.259430973727422,
"spacegroup": 95
}
]
}