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=-energy_above_hull&page=644",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=642",
"results": [
{
"id": "jvasp-112480",
"created_at": "2022-09-04T14:38:40.454861Z",
"updated_at": "2022-09-04T14:38:40.454875Z",
"structure_string": "Na1 Co2 Mo2 O10\n1.0\n5.087119 -0.052150 2.161558\n1.919100 4.711534 2.161558\n-0.066720 -0.044371 7.840033\nNa Co Mo O\n1 2 2 10\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.570245 0.570244 0.237440 Mo\n0.429756 0.429756 0.762560 Mo\n0.179297 0.179297 0.419604 O\n0.820703 0.820702 0.580397 O\n0.199763 0.697577 0.259474 O\n0.697578 0.199763 0.259474 O\n0.800238 0.302423 0.740526 O\n0.302423 0.800237 0.740526 O\n0.723664 0.723663 0.012216 O\n0.276336 0.276336 0.987784 O\n0.660679 0.660678 0.408289 O\n0.339321 0.339321 0.591711 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Na",
"Co",
"Mo",
"O"
],
"chemical_system": "Co-Mo-Na-O",
"density": 4.313421578638701,
"density_atomic": 0.07907786267046595,
"volume": 189.6864620950638,
"volume_molar": 7.615457166685858,
"formula_full": "Na1 Co2 Mo2 O10",
"formula_reduced": "NaCo2(MoO5)2",
"formula_anonymous": "AB2C2D10",
"energy_above_hull": 3.363133173333333,
"spacegroup": 12
},
{
"id": "jvasp-117298",
"created_at": "2022-09-04T14:38:26.288360Z",
"updated_at": "2022-09-04T14:38:26.288379Z",
"structure_string": "Mn8 O13 F3\n1.0\n4.350009 0.002833 0.111421\n0.149179 7.237353 0.790662\n-0.046168 0.026119 7.282996\nMn O F\n8 13 3\ndirect\n0.501560 0.698428 0.949784 Mn\n0.520334 0.292406 0.063940 Mn\n0.483664 0.185078 0.445167 Mn\n0.499307 0.801154 0.554985 Mn\n0.018385 0.950336 0.208211 Mn\n0.010171 0.562003 0.292867 Mn\n0.991035 0.454085 0.694441 Mn\n0.013678 0.062293 0.793516 Mn\n0.766957 0.770192 0.347680 O\n0.761227 0.268955 0.846118 O\n0.728991 0.017030 0.599593 O\n0.737234 0.517699 0.098531 O\n0.724436 0.649071 0.731555 O\n0.743334 0.148831 0.239672 O\n0.229376 0.599816 0.514097 O\n0.265352 0.979871 0.403966 O\n0.263554 0.346510 0.268395 O\n0.227224 0.234271 0.642855 O\n0.233770 0.733199 0.150756 O\n0.242826 0.097591 0.020451 O\n0.262073 0.850593 0.770228 O\n0.744701 0.400620 0.469147 F\n0.257142 0.466200 0.908827 F\n0.773669 0.913762 0.985224 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 5.103285812226183,
"density_atomic": 0.10469745198973318,
"volume": 229.2319396880211,
"volume_molar": 5.751945864537889,
"formula_full": "Mn8 O13 F3",
"formula_reduced": "Mn8O13F3",
"formula_anonymous": "A3B8C13",
"energy_above_hull": 3.363109344938937,
"spacegroup": 1
},
{
"id": "jvasp-55074",
"created_at": "2022-09-04T14:38:32.514194Z",
"updated_at": "2022-09-04T14:38:32.514219Z",
"structure_string": "Ba4 Li6 Ta2 N8\n1.0\n5.675742 0.000128 -0.000024\n2.837672 5.644427 0.007763\n2.837754 0.318950 9.736830\nBa Li Ta N\n4 6 2 8\ndirect\n0.067227 0.692634 0.111091 Ba\n0.932771 0.307367 0.888909 Ba\n0.370945 0.807369 0.388912 Ba\n0.629053 0.192632 0.611089 Ba\n0.111970 0.312216 0.544458 Li\n0.888028 0.687785 0.455542 Li\n0.468645 0.187783 0.955540 Li\n0.611316 0.750005 0.750001 Li\n0.388682 0.249996 0.249999 Li\n0.531353 0.812218 0.044460 Li\n0.867289 0.250005 0.250000 Ta\n0.132709 0.749996 0.750000 Ta\n0.938398 0.388787 0.386648 N\n0.061600 0.611214 0.613352 N\n0.741351 0.006462 0.338092 N\n0.258647 0.993539 0.661908 N\n0.585910 0.493539 0.161910 N\n0.213834 0.111223 0.113356 N\n0.414088 0.506462 0.838090 N\n0.786164 0.888778 0.886644 N\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ba",
"Li",
"Ta",
"N"
],
"chemical_system": "Ba-Li-N-Ta",
"density": 5.669218328837494,
"density_atomic": 0.0641200545882956,
"volume": 311.91489352928244,
"volume_molar": 9.39197696986876,
"formula_full": "Ba4 Li6 Ta2 N8",
"formula_reduced": "Ba2Li3TaN4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 3.362950414,
"spacegroup": 15
},
{
"id": "jvasp-52419",
"created_at": "2022-09-04T14:37:43.580921Z",
"updated_at": "2022-09-04T14:37:43.580947Z",
"structure_string": "Fe2 P2 H12 N2 O10\n1.0\n4.780007 0.000000 0.000000\n0.000000 5.684895 0.000000\n0.000000 0.000000 8.871192\nFe P H N O\n2 2 12 2 10\ndirect\n0.509689 0.500000 0.023568 Fe\n0.009689 0.000000 0.976432 Fe\n0.071303 0.500000 0.804816 P\n0.571303 0.000000 0.195184 P\n0.570550 0.138921 0.807161 H\n0.570550 0.861080 0.807161 H\n0.070550 0.638921 0.192839 H\n0.127170 0.150726 0.593504 H\n0.127170 0.849275 0.593504 H\n0.070550 0.361080 0.192839 H\n0.627171 0.650726 0.406496 H\n0.955792 0.000000 0.456046 H\n0.455792 0.500000 0.543954 H\n0.318284 0.000000 0.462937 H\n0.818284 0.500000 0.537062 H\n0.627171 0.349275 0.406496 H\n0.632529 0.500000 0.472495 N\n0.132529 0.000000 0.527505 N\n0.716060 0.218135 0.118967 O\n0.716060 0.781866 0.118967 O\n0.216060 0.281865 0.881033 O\n0.216060 0.718136 0.881033 O\n0.755239 0.500000 0.831224 O\n0.131824 0.500000 0.633262 O\n0.255239 0.000000 0.168776 O\n0.192484 0.500000 0.207771 O\n0.631824 0.000000 0.366738 O\n0.692484 0.000000 0.792229 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Fe",
"P",
"H",
"N",
"O"
],
"chemical_system": "Fe-H-N-O-P",
"density": 2.574458862953056,
"density_atomic": 0.1161515667308132,
"volume": 241.06433333690055,
"volume_molar": 5.18472624132277,
"formula_full": "Fe2 P2 H12 N2 O10",
"formula_reduced": "FePH6NO5",
"formula_anonymous": "ABCD5E6",
"energy_above_hull": 3.3628679821428573,
"spacegroup": 31
},
{
"id": "jvasp-117294",
"created_at": "2022-09-04T14:38:26.106573Z",
"updated_at": "2022-09-04T14:38:26.106583Z",
"structure_string": "Li3 Mn2 P2 C2 O14\n1.0\n4.956982 -0.168591 -0.412461\n-0.260954 6.130285 -0.467696\n-0.069804 -0.473766 8.478466\nLi Mn P C O\n3 2 2 2 14\ndirect\n0.736686 0.542839 0.242719 Li\n0.201694 0.526933 0.816034 Li\n0.362840 0.006222 0.778845 Li\n0.182539 0.225835 0.329148 Mn\n0.796360 0.762020 0.649726 Mn\n0.278149 0.754267 0.419510 P\n0.717508 0.242781 0.564486 P\n0.255296 0.255332 0.060478 C\n0.741391 0.741475 0.937610 C\n0.522847 0.732840 0.835826 O\n0.873127 0.455243 0.654227 O\n0.717153 0.069627 0.681343 O\n0.176789 0.836350 0.581166 O\n0.416561 0.286643 0.522399 O\n0.583075 0.705158 0.444791 O\n0.447948 0.291544 0.181054 O\n0.109467 0.538319 0.341568 O\n0.249434 0.923788 0.301041 O\n0.293662 0.271390 0.918048 O\n0.745017 0.705373 0.076712 O\n0.021196 0.200909 0.109930 O\n0.850410 0.162818 0.412589 O\n0.966767 0.788480 0.867810 O\n",
"nsites": 23,
"nelements": 5,
"elements": [
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-O-P",
"density": 2.8590356569433752,
"density_atomic": 0.08986592742492798,
"volume": 255.936823433038,
"volume_molar": 6.701250332091397,
"formula_full": "Li3 Mn2 P2 C2 O14",
"formula_reduced": "Li3Mn2P2(CO7)2",
"formula_anonymous": "A2B2C2D3E14",
"energy_above_hull": 3.3628636731634183,
"spacegroup": 1
},
{
"id": "jvasp-45057",
"created_at": "2022-09-04T14:38:05.556590Z",
"updated_at": "2022-09-04T14:38:05.556619Z",
"structure_string": "Li4 Mn1 Cr5 O12\n1.0\n2.507596 4.355804 0.040889\n-2.500777 4.339376 0.020445\n0.040008 0.069495 9.988542\nLi Mn Cr O\n4 1 5 12\ndirect\n0.148682 0.499325 0.746916 Li\n0.351992 0.499325 0.253085 Li\n0.648008 0.500674 0.746916 Li\n0.851317 0.500674 0.253085 Li\n0.000000 0.000000 0.000000 Mn\n0.160508 0.678984 0.500000 Cr\n0.663242 0.673517 0.000000 Cr\n0.336758 0.326483 0.000000 Cr\n0.839492 0.321015 0.500000 Cr\n0.500000 -0.000001 0.500000 Cr\n0.997757 0.334140 0.895012 O\n0.319800 -0.000000 0.099812 O\n0.668102 0.334141 0.104988 O\n0.834587 0.655456 0.607654 O\n0.162190 -0.000001 0.604797 O\n0.002243 0.665859 0.104989 O\n0.509955 0.655456 0.392346 O\n0.165413 0.344543 0.392346 O\n0.331898 0.665858 0.895012 O\n0.680200 -0.000002 0.900188 O\n0.490045 0.344543 0.607654 O\n0.837810 -0.000001 0.395203 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Li-Mn-O",
"density": 4.082454861100309,
"density_atomic": 0.10115906732608829,
"volume": 217.47926885370106,
"volume_molar": 5.953139860994871,
"formula_full": "Li4 Mn1 Cr5 O12",
"formula_reduced": "Li4MnCr5O12",
"formula_anonymous": "AB4C5D12",
"energy_above_hull": 3.362555738244514,
"spacegroup": 12
},
{
"id": "jvasp-30334",
"created_at": "2022-09-04T14:37:08.964951Z",
"updated_at": "2022-09-04T14:37:08.964976Z",
"structure_string": "Ti1 Co5 O12\n1.0\n2.447273 4.251021 0.462481\n-2.474420 4.254448 0.231241\n0.409047 0.710533 8.729970\nTi Co O\n1 5 12\ndirect\n0.000000 0.000000 0.000000 Ti\n0.166514 0.666972 0.500000 Co\n0.666663 0.666671 -0.000000 Co\n0.333336 0.333330 -0.000000 Co\n0.833485 0.333028 0.500000 Co\n0.500000 -0.000000 0.500000 Co\n0.037657 0.347827 0.886570 O\n0.310174 0.000000 0.113433 O\n0.614515 0.347828 0.113429 O\n0.798246 0.666695 0.605668 O\n0.131008 -0.000001 0.607293 O\n0.201754 0.333305 0.394332 O\n0.535058 0.666695 0.394332 O\n0.689826 -0.000001 0.886566 O\n0.385484 0.652172 0.886570 O\n-0.037657 0.652173 0.113429 O\n0.464942 0.333305 0.605668 O\n0.868991 0.000000 0.392707 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ti",
"Co",
"O"
],
"chemical_system": "Co-O-Ti",
"density": 4.901012734985099,
"density_atomic": 0.09938951853219503,
"volume": 181.10561622420275,
"volume_molar": 6.059130629603826,
"formula_full": "Ti1 Co5 O12",
"formula_reduced": "TiCo5O12",
"formula_anonymous": "AB5C12",
"energy_above_hull": 3.3625352685185184,
"spacegroup": 12
},
{
"id": "jvasp-118956",
"created_at": "2022-09-04T14:38:30.894366Z",
"updated_at": "2022-09-04T14:38:30.894386Z",
"structure_string": "Y2 Hf2 O7\n1.0\n5.821259 0.056564 0.594074\n-1.892583 5.505305 0.594074\n-0.008456 -0.011971 5.543902\nY Hf O\n2 2 7\ndirect\n0.691944 0.308056 -0.000001 Y\n0.308056 0.691944 -0.000001 Y\n0.742598 0.742598 0.401579 Hf\n0.257402 0.257402 0.598419 Hf\n0.941226 0.593339 0.202851 O\n0.593340 0.941226 0.202851 O\n0.558408 0.558408 0.729914 O\n-0.000000 0.000000 0.500000 O\n0.441592 0.441592 0.270083 O\n0.406660 0.058774 0.797147 O\n0.058774 0.406661 0.797146 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Y",
"Hf",
"O"
],
"chemical_system": "Hf-O-Y",
"density": 6.022104446987808,
"density_atomic": 0.061677995833387025,
"volume": 178.34561339695105,
"volume_molar": 9.763839889136191,
"formula_full": "Y2 Hf2 O7",
"formula_reduced": "Y2Hf2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 3.362451945454546,
"spacegroup": 12
},
{
"id": "jvasp-69867",
"created_at": "2022-09-04T14:35:57.863887Z",
"updated_at": "2022-09-04T14:35:57.863898Z",
"structure_string": "Be1 Co1 Mo1\n1.0\n1.324609 -2.294291 -0.000000\n1.324609 2.294291 0.000000\n0.000000 0.000000 5.925680\nBe Co Mo\n1 1 1\ndirect\n0.000000 0.000000 0.976457 Be\n0.333333 0.666667 0.687366 Co\n0.666667 0.333333 0.336176 Mo\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Co",
"Mo"
],
"chemical_system": "Be-Co-Mo",
"density": 7.55587750208571,
"density_atomic": 0.08329460272456532,
"volume": 36.016739402914965,
"volume_molar": 7.229929146686409,
"formula_full": "Be1 Co1 Mo1",
"formula_reduced": "BeCoMo",
"formula_anonymous": "ABC",
"energy_above_hull": 3.362440966666666,
"spacegroup": 156
},
{
"id": "jvasp-52403",
"created_at": "2022-09-04T14:36:34.560627Z",
"updated_at": "2022-09-04T14:36:34.560658Z",
"structure_string": "Na2 Cu1 H4 C4 O10\n1.0\n3.528449 0.026786 -0.028603\n-1.708849 7.302858 0.023614\n-1.433370 -2.696973 9.040515\nNa Cu H C O\n2 1 4 4 10\ndirect\n0.689757 0.301526 0.576027 Na\n0.310243 0.698475 0.423972 Na\n0.000000 0.000000 0.000000 Cu\n0.468954 0.531949 0.801847 H\n0.531046 0.468052 0.198153 H\n0.346147 0.325918 0.827011 H\n0.653853 0.674083 0.172988 H\n0.738533 0.026002 0.257036 C\n0.261467 0.973999 0.742963 C\n0.040232 0.219145 0.278447 C\n0.959768 0.780856 0.721553 C\n0.293823 0.400912 0.757843 O\n0.188560 0.234572 0.164909 O\n0.811440 0.765429 0.835091 O\n0.672271 0.904502 0.127547 O\n0.327729 0.095499 0.872452 O\n0.125737 0.344273 0.398850 O\n0.874263 0.655728 0.601149 O\n0.576131 -0.001671 0.358689 O\n0.423870 0.001672 0.641310 O\n0.706178 0.599089 0.242157 O\n",
"nsites": 21,
"nelements": 5,
"elements": [
"Na",
"Cu",
"H",
"C",
"O"
],
"chemical_system": "C-Cu-H-Na-O",
"density": 2.290354433280673,
"density_atomic": 0.09006681836970575,
"volume": 233.16022904017018,
"volume_molar": 6.686303423398784,
"formula_full": "Na2 Cu1 H4 C4 O10",
"formula_reduced": "Na2CuH4(C2O5)2",
"formula_anonymous": "AB2C4D4E10",
"energy_above_hull": 3.36219445,
"spacegroup": 2
},
{
"id": "jvasp-20226",
"created_at": "2022-09-04T14:37:46.344115Z",
"updated_at": "2022-09-04T14:37:46.344134Z",
"structure_string": "Mo2 P4\n1.0\n3.063323 0.000000 -0.861422\n0.000000 5.042167 0.000000\n-0.005624 0.000000 5.857484\nMo P\n2 4\ndirect\n0.093434 0.500986 0.186869 Mo\n0.906566 0.000985 0.813131 Mo\n0.430822 0.620319 0.861643 P\n0.569178 0.120319 0.138357 P\n0.700847 0.803696 0.401694 P\n0.299153 0.303696 0.598306 P\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mo",
"P"
],
"chemical_system": "Mo-P",
"density": 5.797263659613117,
"density_atomic": 0.06633571211064354,
"volume": 90.44901771752146,
"volume_molar": 9.07827860497747,
"formula_full": "Mo2 P4",
"formula_reduced": "MoP2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.361645633333333,
"spacegroup": 36
},
{
"id": "jvasp-20489",
"created_at": "2022-09-04T14:38:16.794413Z",
"updated_at": "2022-09-04T14:38:16.794438Z",
"structure_string": "Mo2 P4\n1.0\n3.063323 0.000000 -0.861422\n0.000000 5.042167 0.000000\n-0.005624 0.000000 5.857484\nMo P\n2 4\ndirect\n0.093434 0.500986 0.186869 Mo\n0.906566 0.000985 0.813131 Mo\n0.430822 0.620319 0.861643 P\n0.569178 0.120319 0.138357 P\n0.700847 0.803696 0.401694 P\n0.299153 0.303696 0.598306 P\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mo",
"P"
],
"chemical_system": "Mo-P",
"density": 5.797263659613117,
"density_atomic": 0.06633571211064354,
"volume": 90.44901771752146,
"volume_molar": 9.07827860497747,
"formula_full": "Mo2 P4",
"formula_reduced": "MoP2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.361645633333333,
"spacegroup": 36
}
]
}