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=formula_reduced&page=222",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=220",
"results": [
{
"id": "jvasp-59111",
"created_at": "2022-09-04T14:37:29.898900Z",
"updated_at": "2022-09-04T14:37:29.898918Z",
"structure_string": "Ba6 Cr4 S12\n1.0\n8.053416 -0.025420 -0.657737\n-0.711580 8.021958 -0.657737\n-0.023339 -0.025420 8.080196\nBa Cr S\n6 4 12\ndirect\n0.363519 0.750000 0.136481 Ba\n0.750000 0.136481 0.363519 Ba\n0.636481 0.250000 0.863519 Ba\n0.863519 0.636481 0.250000 Ba\n0.250000 0.863519 0.636481 Ba\n0.136481 0.363519 0.750000 Ba\n0.250000 0.250000 0.250000 Cr\n0.750000 0.750000 0.750000 Cr\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.516848 0.409327 0.207399 S\n0.909327 0.016847 0.707399 S\n0.292601 0.090673 0.983153 S\n0.983153 0.292601 0.090673 S\n0.090673 0.983153 0.292601 S\n0.590674 0.792601 0.483152 S\n0.483153 0.590674 0.792601 S\n0.792601 0.483153 0.590673 S\n0.707399 0.909327 0.016847 S\n0.016847 0.707399 0.909327 S\n0.207399 0.516848 0.409326 S\n0.409327 0.207399 0.516847 S\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ba",
"Cr",
"S"
],
"chemical_system": "Ba-Cr-S",
"density": 4.510234311822216,
"density_atomic": 0.042178069788686955,
"volume": 521.5980747867429,
"volume_molar": 14.277895575048968,
"formula_full": "Ba6 Cr4 S12",
"formula_reduced": "Ba3(CrS3)2",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 2.0787193372727275,
"spacegroup": 167
},
{
"id": "jvasp-52090",
"created_at": "2022-09-04T14:38:11.479556Z",
"updated_at": "2022-09-04T14:38:11.479591Z",
"structure_string": "Ba6 Cr2 S10\n1.0\n4.606651 -7.978954 0.000000\n4.606651 7.978954 -0.000000\n0.000000 -0.000000 6.137817\nBa Cr S\n6 2 10\ndirect\n0.000000 0.382190 0.663216 Ba\n0.382190 0.382190 0.163216 Ba\n0.617810 0.000000 0.163216 Ba\n0.382190 0.000000 0.663216 Ba\n0.617810 0.617810 0.663216 Ba\n0.000000 0.617810 0.163216 Ba\n0.000000 0.000000 0.413206 Cr\n0.000000 0.000000 0.913206 Cr\n0.666667 0.333333 0.413220 S\n0.333333 0.666667 0.913220 S\n0.211130 0.000000 0.163236 S\n0.000000 0.788870 0.663237 S\n0.788870 0.000000 0.663237 S\n0.788870 0.788870 0.163236 S\n0.000000 0.211130 0.163236 S\n0.666667 0.333333 0.913220 S\n0.211130 0.211130 0.663237 S\n0.333333 0.666667 0.413220 S\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ba",
"Cr",
"S"
],
"chemical_system": "Ba-Cr-S",
"density": 4.5951393369176055,
"density_atomic": 0.03989305548942498,
"volume": 451.2063510595601,
"volume_molar": 15.095711988259145,
"formula_full": "Ba6 Cr2 S10",
"formula_reduced": "Ba3CrS5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.590871701111111,
"spacegroup": 193
},
{
"id": "jvasp-57528",
"created_at": "2022-09-04T14:38:32.238525Z",
"updated_at": "2022-09-04T14:38:32.238550Z",
"structure_string": "Ba6 Cu4 Cl4 O8\n1.0\n6.033761 0.000000 0.000000\n0.000000 6.604266 -0.000000\n0.000000 0.000000 10.676687\nBa Cu Cl O\n6 4 4 8\ndirect\n0.500000 0.750000 0.449530 Ba\n0.000000 0.750000 0.211363 Ba\n0.000000 0.250000 0.788637 Ba\n0.500000 0.250000 0.550470 Ba\n0.500000 0.250000 0.200396 Ba\n0.500000 0.750000 0.799604 Ba\n0.000000 0.250000 0.331567 Cu\n0.000000 0.500000 0.500000 Cu\n0.000000 0.750000 0.668434 Cu\n0.000000 0.000000 0.500000 Cu\n0.000000 0.250000 0.085186 Cl\n0.500000 0.750000 0.115838 Cl\n0.000000 0.750000 0.914814 Cl\n0.500000 0.250000 0.884162 Cl\n0.776852 0.030432 0.360494 O\n0.223147 0.469568 0.360494 O\n0.223147 0.030432 0.360494 O\n0.776852 0.969569 0.639506 O\n0.223147 0.969569 0.639506 O\n0.776852 0.469568 0.360494 O\n0.223147 0.530432 0.639506 O\n0.776852 0.530432 0.639506 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Ba",
"Cu",
"Cl",
"O"
],
"chemical_system": "Ba-Cl-Cu-O",
"density": 5.261077990888842,
"density_atomic": 0.051709877529222105,
"volume": 425.45063054089496,
"volume_molar": 11.646016288854655,
"formula_full": "Ba6 Cu4 Cl4 O8",
"formula_reduced": "Ba3Cu2(ClO2)2",
"formula_anonymous": "A2B2C3D4",
"energy_above_hull": 0.7201391768181817,
"spacegroup": 51
},
{
"id": "jvasp-109266",
"created_at": "2022-09-04T14:38:27.654049Z",
"updated_at": "2022-09-04T14:38:27.654075Z",
"structure_string": "Ba6 Dy2\n1.0\n8.260564 0.000000 0.000000\n-4.130282 7.153858 0.000000\n-0.000000 -0.000000 6.627084\nBa Dy\n6 2\ndirect\n0.171566 0.343132 0.250000 Ba\n0.656868 0.828434 0.250000 Ba\n0.171566 0.828434 0.250000 Ba\n0.828434 0.656868 0.750000 Ba\n0.343132 0.171566 0.750000 Ba\n0.828434 0.171566 0.750000 Ba\n0.333333 0.666667 0.750000 Dy\n0.666666 0.333333 0.250000 Dy\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ba",
"Dy"
],
"chemical_system": "Ba-Dy",
"density": 4.871719464203063,
"density_atomic": 0.020427607086606018,
"volume": 391.62687857088474,
"volume_molar": 29.480402351916194,
"formula_full": "Ba6 Dy2",
"formula_reduced": "Ba3Dy",
"formula_anonymous": "AB3",
"energy_above_hull": 0.2114286024999999,
"spacegroup": 194
},
{
"id": "jvasp-100954",
"created_at": "2022-09-04T14:36:39.997587Z",
"updated_at": "2022-09-04T14:36:39.997615Z",
"structure_string": "Ba6 Er2\n1.0\n8.240719 -0.000000 0.000000\n-4.120359 7.136672 0.000000\n-0.000000 -0.000000 6.623967\nBa Er\n6 2\ndirect\n0.171554 0.343109 0.250000 Ba\n0.656891 0.828446 0.250000 Ba\n0.171554 0.828446 0.250000 Ba\n0.828446 0.656891 0.750000 Ba\n0.343109 0.171554 0.750000 Ba\n0.828446 0.171554 0.750000 Ba\n0.333333 0.666666 0.750000 Er\n0.666667 0.333333 0.250000 Er\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ba",
"Er"
],
"chemical_system": "Ba-Er",
"density": 4.938085842123032,
"density_atomic": 0.02053576965437801,
"volume": 389.5641670432588,
"volume_molar": 29.325128112333218,
"formula_full": "Ba6 Er2",
"formula_reduced": "Ba3Er",
"formula_anonymous": "AB3",
"energy_above_hull": 0.2019919774999999,
"spacegroup": 194
},
{
"id": "jvasp-37903",
"created_at": "2022-09-04T14:37:53.369000Z",
"updated_at": "2022-09-04T14:37:53.369028Z",
"structure_string": "Ba3 Er1\n1.0\n-2.916987 2.916987 5.664191\n2.916987 -2.916987 5.664191\n2.916987 2.916987 -5.664191\nBa Er\n3 1\ndirect\n0.750000 0.250000 0.500002 Ba\n0.250000 0.750000 0.500002 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Er\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"Er"
],
"chemical_system": "Ba-Er",
"density": 4.989313278978611,
"density_atomic": 0.02074880662394152,
"volume": 192.78217164472974,
"volume_molar": 29.02403434157608,
"formula_full": "Ba3 Er1",
"formula_reduced": "Ba3Er",
"formula_anonymous": "AB3",
"energy_above_hull": 0.2148144775,
"spacegroup": 139
},
{
"id": "jvasp-87117",
"created_at": "2022-09-04T14:35:45.774291Z",
"updated_at": "2022-09-04T14:35:45.774314Z",
"structure_string": "Ba3 Er2 Cu2 Pt1 O10\n1.0\n5.837798 0.000000 0.000000\n-2.918899 6.030660 -1.706184\n0.000000 -0.025033 7.434704\nBa Er Cu Pt O\n3 2 2 1 10\ndirect\n0.153402 0.306804 0.542842 Ba\n0.846598 0.693196 0.457159 Ba\n0.000000 0.000000 0.000000 Ba\n0.689156 0.378311 0.874460 Er\n0.310844 0.621690 0.125540 Er\n0.411035 0.822069 0.802362 Cu\n0.588965 0.177931 0.197639 Cu\n0.500000 0.000000 0.500000 Pt\n0.299164 0.038793 0.720451 O\n0.667654 0.335307 0.553065 O\n0.700837 0.961207 0.279549 O\n0.086539 0.630515 0.874657 O\n0.456024 0.369485 0.125344 O\n0.913461 0.369485 0.125344 O\n0.543976 0.630515 0.874657 O\n0.332347 0.664694 0.446935 O\n0.739631 0.038793 0.720451 O\n0.260370 0.961207 0.279549 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Ba",
"Er",
"Cu",
"Pt",
"O"
],
"chemical_system": "Ba-Cu-Er-O-Pt",
"density": 7.802258122050895,
"density_atomic": 0.06883492137552603,
"volume": 261.49517774272965,
"volume_molar": 8.748670935710763,
"formula_full": "Ba3 Er2 Cu2 Pt1 O10",
"formula_reduced": "Ba3Er2Cu2PtO10",
"formula_anonymous": "AB2C2D3E10",
"energy_above_hull": 1.814658622777778,
"spacegroup": 12
},
{
"id": "jvasp-97638",
"created_at": "2022-09-04T14:36:07.788844Z",
"updated_at": "2022-09-04T14:36:07.788870Z",
"structure_string": "Ba6 Er2 Mn4 O18\n1.0\n5.817091 -0.000000 0.000000\n-2.908545 5.037659 0.000000\n0.000000 0.000000 14.240759\nBa Er Mn O\n6 2 4 18\ndirect\n0.333296 0.666593 0.091331 Ba\n0.333356 0.666714 0.397160 Ba\n0.666703 0.333407 0.591331 Ba\n0.000012 0.000023 0.744256 Ba\n-0.000012 -0.000023 0.244256 Ba\n0.666643 0.333286 0.897160 Ba\n0.999965 0.999932 0.994259 Er\n0.000034 0.000068 0.494259 Er\n0.333368 0.666735 0.652523 Mn\n0.666685 0.333372 0.335999 Mn\n0.333314 0.666628 0.835999 Mn\n0.666632 0.333265 0.152523 Mn\n0.643443 0.821792 0.583344 O\n0.178353 0.356705 0.583319 O\n0.356557 0.178209 0.083344 O\n0.178347 0.821792 0.583344 O\n0.477931 0.955863 0.744277 O\n0.643357 0.821628 0.905196 O\n0.821653 0.178209 0.083344 O\n0.821646 0.643295 0.083319 O\n0.821730 0.178372 0.405196 O\n0.477925 0.522085 0.744256 O\n0.178270 0.821628 0.905196 O\n0.356642 0.178372 0.405196 O\n0.955840 0.477915 0.244256 O\n0.522068 0.044137 0.244277 O\n0.178271 0.356542 0.905186 O\n0.821728 0.643458 0.405186 O\n0.044159 0.522085 0.744256 O\n0.522074 0.477915 0.244256 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ba",
"Er",
"Mn",
"O"
],
"chemical_system": "Ba-Er-Mn-O",
"density": 6.630007794478998,
"density_atomic": 0.07188751867782577,
"volume": 417.3186187500685,
"volume_molar": 8.377171546272292,
"formula_full": "Ba6 Er2 Mn4 O18",
"formula_reduced": "Ba3ErMn2O9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.365669592850575,
"spacegroup": 194
},
{
"id": "jvasp-26017",
"created_at": "2022-09-04T14:38:35.184401Z",
"updated_at": "2022-09-04T14:38:35.184432Z",
"structure_string": "Ba6 Er2 Ru4 O18\n1.0\n2.954868 -5.117982 -0.000000\n2.954868 5.117982 0.000000\n0.000000 0.000000 14.445867\nBa Er Ru O\n6 2 4 18\ndirect\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.250000 Ba\n0.333333 0.666667 0.093654 Ba\n0.666667 0.333333 0.593654 Ba\n0.666667 0.333333 0.906347 Ba\n0.333333 0.666667 0.406346 Ba\n0.000000 0.000000 0.000000 Er\n0.000000 0.000000 0.500000 Er\n0.333333 0.666667 0.664046 Ru\n0.666667 0.333333 0.164046 Ru\n0.666667 0.333333 0.335954 Ru\n0.333333 0.666667 0.835954 Ru\n0.648496 0.824248 0.912503 O\n0.351505 0.175753 0.412503 O\n0.824247 0.175753 0.087497 O\n0.824248 0.648496 0.412503 O\n0.824247 0.175753 0.412503 O\n0.175753 0.351505 0.587498 O\n0.648496 0.824248 0.587498 O\n0.351505 0.175753 0.087497 O\n0.981582 0.490792 0.250000 O\n0.175753 0.824247 0.587498 O\n0.509209 0.490791 0.250000 O\n0.490792 0.981582 0.750000 O\n0.018419 0.509209 0.750000 O\n0.175753 0.824247 0.912503 O\n0.509209 0.018419 0.250000 O\n0.490791 0.509209 0.750000 O\n0.824248 0.648496 0.087497 O\n0.175753 0.351505 0.912503 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ba",
"Er",
"Ru",
"O"
],
"chemical_system": "Ba-Er-O-Ru",
"density": 7.0337385482263555,
"density_atomic": 0.0686611080870848,
"volume": 436.9285733336865,
"volume_molar": 8.770817902271475,
"formula_full": "Ba6 Er2 Ru4 O18",
"formula_reduced": "Ba3ErRu2O9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.427752694,
"spacegroup": 194
},
{
"id": "jvasp-57383",
"created_at": "2022-09-04T14:36:35.792669Z",
"updated_at": "2022-09-04T14:36:35.792687Z",
"structure_string": "Ba6 Fe4 Br4 O10\n1.0\n8.302818 0.000000 -2.935489\n-4.151409 7.190452 -2.935489\n-0.000000 -0.000000 8.806469\nBa Fe Br O\n6 4 4 10\ndirect\n0.651249 0.401249 0.250000 Ba\n0.250000 0.651249 0.401249 Ba\n0.848751 0.098751 0.750000 Ba\n0.401249 0.250000 0.651249 Ba\n0.098751 0.750000 0.848751 Ba\n0.750000 0.848751 0.098751 Ba\n-0.000000 0.312545 0.500000 Fe\n0.187455 0.187455 0.187455 Fe\n0.500000 1.000000 0.312545 Fe\n0.312545 0.500000 1.000000 Fe\n0.500000 0.000000 0.881401 Br\n0.881401 0.500000 -0.000000 Br\n0.618599 0.618599 0.618599 Br\n1.000000 0.881400 0.500000 Br\n0.979048 0.979048 0.979048 O\n0.111874 0.361874 0.750000 O\n1.000000 0.520952 0.500000 O\n0.750000 0.111874 0.361874 O\n0.520952 0.500000 -0.000000 O\n0.138126 0.250000 0.388126 O\n0.250000 0.388126 0.138126 O\n0.388126 0.138126 0.250000 O\n0.361874 0.750000 0.111874 O\n0.500000 0.000000 0.520952 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ba",
"Fe",
"Br",
"O"
],
"chemical_system": "Ba-Br-Fe-O",
"density": 4.8227079417811325,
"density_atomic": 0.04564862719427332,
"volume": 525.755131646343,
"volume_molar": 13.192380866944202,
"formula_full": "Ba6 Fe4 Br4 O10",
"formula_reduced": "Ba3Fe2Br2O5",
"formula_anonymous": "A2B2C3D5",
"energy_above_hull": 1.648625385,
"spacegroup": 199
},
{
"id": "jvasp-116806",
"created_at": "2022-09-04T14:38:44.932045Z",
"updated_at": "2022-09-04T14:38:44.932069Z",
"structure_string": "Ba6 Fe4 Cl4 O10\n1.0\n8.217774 0.007783 -2.914144\n-4.117529 7.118985 -2.896014\n0.008255 -0.007803 8.718871\nBa Fe Cl O\n6 4 4 10\ndirect\n0.402349 0.250001 0.652349 Ba\n0.652348 0.402332 0.250005 Ba\n0.749988 0.847642 0.097646 Ba\n0.097665 0.750013 0.847670 Ba\n0.249998 0.652357 0.402357 Ba\n0.847660 0.097659 0.750005 Ba\n0.314007 0.499994 0.000003 Fe\n0.500005 0.000003 0.314005 Fe\n0.185992 0.185997 0.185998 Fe\n0.000006 0.314009 0.500002 Fe\n0.000006 0.885551 0.499992 Cl\n0.885553 0.500011 0.000005 Cl\n0.499994 -0.000015 0.885534 Cl\n0.614440 0.614452 0.614451 Cl\n0.524121 0.499980 0.000005 O\n0.500012 0.000020 0.524137 O\n-0.000003 0.524136 0.500019 O\n0.975871 0.975867 0.975871 O\n0.138299 0.250019 0.388295 O\n0.249969 0.388276 0.138275 O\n0.361729 0.750000 0.111710 O\n0.388266 0.138269 0.249976 O\n0.750000 0.111726 0.361699 O\n0.111722 0.361707 0.749996 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ba",
"Fe",
"Cl",
"O"
],
"chemical_system": "Ba-Cl-Fe-O",
"density": 4.390666680350061,
"density_atomic": 0.0470362856352854,
"volume": 510.2443714644811,
"volume_molar": 12.80318094565347,
"formula_full": "Ba6 Fe4 Cl4 O10",
"formula_reduced": "Ba3Fe2Cl2O5",
"formula_anonymous": "A2B2C3D5",
"energy_above_hull": 1.6782028787499998,
"spacegroup": 199
},
{
"id": "jvasp-57386",
"created_at": "2022-09-04T14:38:15.523406Z",
"updated_at": "2022-09-04T14:38:15.523426Z",
"structure_string": "Ba6 Fe4 Cl4 O10\n1.0\n8.228080 0.000000 -2.909064\n-4.114041 7.125726 -2.909064\n-0.000000 -0.000000 8.727196\nBa Fe Cl O\n6 4 4 10\ndirect\n0.250000 0.652866 0.402866 Ba\n0.402865 0.250000 0.652866 Ba\n0.847135 0.097135 0.750001 Ba\n0.750000 0.847135 0.097136 Ba\n0.652865 0.402865 0.250001 Ba\n0.097135 0.750000 0.847136 Ba\n0.186594 0.186594 0.186594 Fe\n0.313406 0.500000 0.000001 Fe\n0.500000 -0.000000 0.313407 Fe\n0.000000 0.313406 0.500000 Fe\n0.885390 0.500000 0.000001 Cl\n0.500000 0.000000 0.885391 Cl\n0.000000 0.885391 0.500001 Cl\n0.614610 0.614610 0.614611 Cl\n0.500000 0.000000 0.523589 O\n0.250000 0.388998 0.138999 O\n0.388998 0.138998 0.250000 O\n0.000000 0.523588 0.500001 O\n0.750000 0.111002 0.361002 O\n0.523588 0.500000 0.000001 O\n0.138998 0.250000 0.388999 O\n0.976412 0.976412 0.976414 O\n0.111002 0.361002 0.750001 O\n0.361002 0.750000 0.111003 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ba",
"Fe",
"Cl",
"O"
],
"chemical_system": "Ba-Cl-Fe-O",
"density": 4.378308280055002,
"density_atomic": 0.046903892700773865,
"volume": 511.684609060263,
"volume_molar": 12.83931975202698,
"formula_full": "Ba6 Fe4 Cl4 O10",
"formula_reduced": "Ba3Fe2Cl2O5",
"formula_anonymous": "A2B2C3D5",
"energy_above_hull": 1.6796320454166669,
"spacegroup": 199
}
]
}