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=elements&page=4473",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=4471",
"results": [
{
"id": "jvasp-101110",
"created_at": "2022-09-04T14:36:35.982700Z",
"updated_at": "2022-09-04T14:36:35.982713Z",
"structure_string": "Ta1 B2 Mo3 C2\n1.0\n8.922108 0.000909 0.000000\n-8.371772 3.085037 0.000000\n-0.000000 -0.000000 3.101505\nTa B Mo C\n1 2 3 2\ndirect\n0.315744 0.684257 0.499999 Ta\n0.471152 0.528849 0.499999 B\n0.528626 0.471376 -0.000000 B\n0.683035 0.316966 -0.000000 Mo\n0.072233 0.927768 0.499999 Mo\n0.931091 0.068909 -0.000000 Mo\n0.190346 0.809656 0.499999 C\n0.807777 0.192224 -0.000000 C\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ta",
"B",
"Mo",
"C"
],
"chemical_system": "B-C-Mo-Ta",
"density": 10.003205429505595,
"density_atomic": 0.09368489924015173,
"volume": 85.3926306681807,
"volume_molar": 6.428080521880963,
"formula_full": "Ta1 B2 Mo3 C2",
"formula_reduced": "TaB2Mo3C2",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 6.599827758333333,
"spacegroup": 38
},
{
"id": "jvasp-57813",
"created_at": "2022-09-04T14:37:52.681256Z",
"updated_at": "2022-09-04T14:37:52.681273Z",
"structure_string": "Ta1 Bi4 Cl1 O8\n1.0\n3.908216 0.000000 -0.000000\n-0.000000 3.908216 0.000000\n-0.000000 -0.000000 14.112960\nTa Bi Cl O\n1 4 1 8\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500001 0.500001 0.181973 Bi\n0.500001 0.500001 0.818027 Bi\n0.000000 0.000000 0.638813 Bi\n0.000000 0.000000 0.361187 Bi\n0.500001 0.500001 0.500000 Cl\n0.000000 0.000000 0.142555 O\n0.000000 0.500001 0.283599 O\n0.500001 0.000000 0.000000 O\n0.000000 0.500001 0.000000 O\n0.500001 0.000000 0.283599 O\n0.000000 0.500001 0.716401 O\n0.500001 0.000000 0.716401 O\n0.000000 0.000000 0.857445 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ta",
"Bi",
"Cl",
"O"
],
"chemical_system": "Bi-Cl-O-Ta",
"density": 9.092279603284583,
"density_atomic": 0.06494605983268031,
"volume": 215.56350048129198,
"volume_molar": 9.2725267329762,
"formula_full": "Ta1 Bi4 Cl1 O8",
"formula_reduced": "TaBi4ClO8",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 2.4939827476785714,
"spacegroup": 123
},
{
"id": "jvasp-42538",
"created_at": "2022-09-04T14:36:13.548199Z",
"updated_at": "2022-09-04T14:36:13.548219Z",
"structure_string": "Ta4 Cr2 N2 O10\n1.0\n4.720540 0.000000 0.000000\n0.000000 4.725413 0.000000\n0.000000 0.000000 9.204634\nTa Cr N O\n4 2 2 10\ndirect\n0.744099 0.013747 0.337611 Ta\n0.744099 0.013747 0.662388 Ta\n0.255901 0.513747 0.162389 Ta\n0.255901 0.513747 0.837611 Ta\n0.750084 0.993522 0.000000 Cr\n0.249916 0.493523 0.500000 Cr\n0.452156 0.695548 0.000000 N\n0.547844 0.195548 0.500000 N\n0.445668 0.691600 0.667607 O\n0.445668 0.691600 0.332392 O\n0.055859 0.300052 0.000000 O\n0.053497 0.300092 0.666740 O\n0.944141 0.800051 0.500000 O\n0.946503 0.800091 0.166741 O\n0.946503 0.800091 0.833259 O\n0.554332 0.191600 0.167608 O\n0.053497 0.300092 0.333259 O\n0.554332 0.191600 0.832392 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ta",
"Cr",
"N",
"O"
],
"chemical_system": "Cr-N-O-Ta",
"density": 8.2151506338198,
"density_atomic": 0.08766667333872048,
"volume": 205.3231782898027,
"volume_molar": 6.8693615608431555,
"formula_full": "Ta4 Cr2 N2 O10",
"formula_reduced": "Ta2CrNO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 4.384984061111111,
"spacegroup": 31
},
{
"id": "jvasp-42453",
"created_at": "2022-09-04T14:36:39.004623Z",
"updated_at": "2022-09-04T14:36:39.004644Z",
"structure_string": "Ta4 Cr2 N2 O10\n1.0\n4.716664 0.018935 0.000000\n0.018935 4.716664 0.000000\n0.000000 0.000000 9.231609\nTa Cr N O\n4 2 2 10\ndirect\n0.000000 0.000000 0.342962 Ta\n0.000000 0.000000 0.657038 Ta\n0.500000 0.500000 0.168132 Ta\n0.500000 0.500000 0.831869 Ta\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.198741 0.801259 0.500000 N\n0.801259 0.198741 0.500000 N\n0.694691 0.694691 0.671643 O\n0.694691 0.694691 0.328357 O\n0.696529 0.696529 0.000000 O\n0.303471 0.303471 0.000000 O\n0.198180 0.801821 0.837710 O\n0.305309 0.305309 0.328357 O\n0.198180 0.801821 0.162291 O\n0.801821 0.198180 0.162291 O\n0.305309 0.305309 0.671643 O\n0.801821 0.198180 0.837710 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ta",
"Cr",
"N",
"O"
],
"chemical_system": "Cr-N-O-Ta",
"density": 8.213215678158372,
"density_atomic": 0.08764602476714141,
"volume": 205.3715504818676,
"volume_molar": 6.870979917229181,
"formula_full": "Ta4 Cr2 N2 O10",
"formula_reduced": "Ta2CrNO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 4.385406283333333,
"spacegroup": 65
},
{
"id": "jvasp-43952",
"created_at": "2022-09-04T14:37:30.828197Z",
"updated_at": "2022-09-04T14:37:30.828210Z",
"structure_string": "Ta4 Cr2 N2 O10\n1.0\n4.747074 0.007524 -0.003730\n0.007524 4.747074 0.003730\n-0.007517 0.007517 9.034697\nTa Cr N O\n4 2 2 10\ndirect\n0.992411 0.007587 0.339191 Ta\n0.000580 -0.000580 0.673985 Ta\n0.496842 0.503157 0.167115 Ta\n0.486503 0.513496 0.826609 Ta\n0.003348 0.996651 0.993483 Cr\n0.516567 0.483431 0.498931 Cr\n0.198538 0.801461 0.844195 N\n0.793804 0.206195 0.498395 N\n0.700457 0.695957 0.663284 O\n0.697401 0.696537 0.332533 O\n0.700292 0.694772 0.001050 O\n0.305226 0.299706 0.001050 O\n0.198472 0.801526 0.499450 O\n0.303461 0.302597 0.332533 O\n0.199414 0.800585 0.162459 O\n0.802321 0.197678 0.166297 O\n0.304042 0.299541 0.663284 O\n0.800301 0.199697 0.836162 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ta",
"Cr",
"N",
"O"
],
"chemical_system": "Cr-N-O-Ta",
"density": 8.284943928641843,
"density_atomic": 0.08841146138353229,
"volume": 203.5935128581951,
"volume_molar": 6.811493290305116,
"formula_full": "Ta4 Cr2 N2 O10",
"formula_reduced": "Ta2CrNO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 4.398970727777778,
"spacegroup": 8
},
{
"id": "jvasp-42591",
"created_at": "2022-09-04T14:36:08.486364Z",
"updated_at": "2022-09-04T14:36:08.486390Z",
"structure_string": "Ta4 Cr2 N2 O10\n1.0\n0.000000 4.742992 0.001673\n4.751214 0.000000 0.000000\n0.000000 -4.710039 -9.037829\nTa Cr N O\n4 2 2 10\ndirect\n0.316801 0.243594 0.331203 Ta\n0.681714 0.241780 0.675958 Ta\n0.681714 0.758219 0.175958 Ta\n0.316801 0.756405 0.831203 Ta\n-0.001391 0.249963 0.994790 Cr\n-0.001391 0.750036 0.494789 Cr\n0.039366 0.945002 0.339977 N\n0.039366 0.054997 0.839977 N\n0.363509 0.943322 0.662920 O\n0.699617 0.944986 0.999385 O\n0.298347 0.549445 0.997634 O\n0.966273 0.551559 0.663769 O\n0.298347 0.450554 0.497634 O\n0.966273 0.448440 0.163769 O\n0.635761 0.445712 0.834366 O\n0.363509 0.056677 0.162920 O\n0.635761 0.554287 0.334366 O\n0.699617 0.055013 0.499385 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ta",
"Cr",
"N",
"O"
],
"chemical_system": "Cr-N-O-Ta",
"density": 8.283468912213493,
"density_atomic": 0.08839572098032396,
"volume": 203.62976624181422,
"volume_molar": 6.812706195745008,
"formula_full": "Ta4 Cr2 N2 O10",
"formula_reduced": "Ta2CrNO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 4.39841295,
"spacegroup": 7
},
{
"id": "jvasp-104689",
"created_at": "2022-09-04T14:36:51.139862Z",
"updated_at": "2022-09-04T14:36:51.139878Z",
"structure_string": "Ta1 Cu3 Se3 S1\n1.0\n5.624600 0.011454 0.070618\n0.069881 5.624177 0.070618\n0.011574 0.011454 5.625031\nTa Cu Se S\n1 3 3 1\ndirect\n0.999154 0.999154 0.999156 Ta\n0.006039 0.497473 0.006039 Cu\n0.006038 0.006038 0.497472 Cu\n0.497473 0.006038 0.006039 Cu\n0.260832 0.747471 0.747472 Se\n0.747471 0.747471 0.260834 Se\n0.747471 0.260832 0.747472 Se\n0.235518 0.235518 0.235518 S\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ta",
"Cu",
"Se",
"S"
],
"chemical_system": "Cu-S-Se-Ta",
"density": 5.977874305203091,
"density_atomic": 0.04496220450631315,
"volume": 177.92721882390617,
"volume_molar": 13.393784459911057,
"formula_full": "Ta1 Cu3 Se3 S1",
"formula_reduced": "TaCu3Se3S",
"formula_anonymous": "ABC3D3",
"energy_above_hull": 1.60797883125,
"spacegroup": 160
},
{
"id": "jvasp-104690",
"created_at": "2022-09-04T14:36:46.837992Z",
"updated_at": "2022-09-04T14:36:46.838010Z",
"structure_string": "Ta1 Fe1 Pb2 O6\n1.0\n4.827707 -0.000000 2.787278\n1.609236 4.551606 2.787278\n-0.000000 -0.000000 5.574556\nTa Fe Pb O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500001 0.500000 0.500000 Fe\n0.750001 0.750001 0.750000 Pb\n0.250000 0.250000 0.250000 Pb\n0.254173 0.745828 0.745827 O\n0.745828 0.254173 0.254173 O\n0.745828 0.254173 0.745828 O\n0.254173 0.745828 0.254173 O\n0.745828 0.745828 0.254173 O\n0.254173 0.254173 0.745828 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ta",
"Fe",
"Pb",
"O"
],
"chemical_system": "Fe-O-Pb-Ta",
"density": 10.128937275397362,
"density_atomic": 0.0816364576894537,
"volume": 122.49429094584369,
"volume_molar": 7.376778623722641,
"formula_full": "Ta1 Fe1 Pb2 O6",
"formula_reduced": "TaFe(PbO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.815999734,
"spacegroup": 225
},
{
"id": "jvasp-17729",
"created_at": "2022-09-04T14:37:32.714593Z",
"updated_at": "2022-09-04T14:37:32.714617Z",
"structure_string": "Ta2 In1 Cu1 Te4\n1.0\n5.955136 0.000000 -2.659131\n-1.187375 5.835562 -2.659131\n-0.116283 -0.142326 7.737427\nTa In Cu Te\n2 1 1 4\ndirect\n0.750000 0.250000 0.500000 Ta\n0.250000 0.749999 0.500000 Ta\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.000000 Cu\n0.424921 0.424920 0.276490 Te\n0.851570 0.851569 0.276490 Te\n0.148430 0.575079 0.723511 Te\n0.575080 0.148430 0.723511 Te\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ta",
"In",
"Cu",
"Te"
],
"chemical_system": "Cu-In-Ta-Te",
"density": 6.599065520119313,
"density_atomic": 0.030259463985071313,
"volume": 264.3800962220232,
"volume_molar": 19.9016769198921,
"formula_full": "Ta2 In1 Cu1 Te4",
"formula_reduced": "Ta2InCuTe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.396058735833333,
"spacegroup": 121
},
{
"id": "jvasp-14308",
"created_at": "2022-09-04T14:37:03.945414Z",
"updated_at": "2022-09-04T14:37:03.945436Z",
"structure_string": "Ta2 In1 Cu1 Te4\n1.0\n5.955384 0.000000 -2.659242\n-1.187425 5.835805 -2.659242\n-0.116476 -0.142563 7.737325\nTa In Cu Te\n2 1 1 4\ndirect\n0.749999 0.250000 0.500000 Ta\n0.250000 0.750000 0.500000 Ta\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.000000 Cu\n0.424929 0.424929 0.276499 Te\n0.851571 0.851570 0.276499 Te\n0.148429 0.575071 0.723502 Te\n0.575071 0.148429 0.723502 Te\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ta",
"In",
"Cu",
"Te"
],
"chemical_system": "Cu-In-Ta-Te",
"density": 6.598791535495644,
"density_atomic": 0.03025820765145451,
"volume": 264.39107339576475,
"volume_molar": 19.90250324595983,
"formula_full": "Ta2 In1 Cu1 Te4",
"formula_reduced": "Ta2InCuTe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.396058735833333,
"spacegroup": 121
},
{
"id": "jvasp-119141",
"created_at": "2022-09-04T14:38:35.423975Z",
"updated_at": "2022-09-04T14:38:35.423993Z",
"structure_string": "Ta6 Mn1 C3 S6\n1.0\n5.683932 -0.001457 0.610632\n-2.939294 4.864940 0.610632\n0.042936 0.076082 8.528844\nTa Mn C S\n6 1 3 6\ndirect\n0.119438 0.119437 0.638487 Ta\n0.454485 0.786258 0.639994 Ta\n0.786259 0.454484 0.639994 Ta\n0.213742 0.545515 0.360006 Ta\n0.545515 0.213741 0.360006 Ta\n0.880563 0.880562 0.361512 Ta\n0.000000 0.000000 0.000000 Mn\n0.168609 0.831392 0.500000 C\n0.500000 0.500000 0.500000 C\n0.831392 0.168607 0.500000 C\n0.279471 0.279471 0.158921 S\n0.614315 0.946388 0.160679 S\n0.946389 0.614314 0.160679 S\n0.053612 0.385685 0.839321 S\n0.385686 0.053611 0.839321 S\n0.720530 0.720528 0.841079 S\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Ta",
"Mn",
"C",
"S"
],
"chemical_system": "C-Mn-S-Ta",
"density": 9.662560990777889,
"density_atomic": 0.06800559436708598,
"volume": 235.2747615679077,
"volume_molar": 8.855360821483615,
"formula_full": "Ta6 Mn1 C3 S6",
"formula_reduced": "Ta6Mn(CS2)3",
"formula_anonymous": "AB3C6D6",
"energy_above_hull": 5.713150152586207,
"spacegroup": 12
},
{
"id": "jvasp-104687",
"created_at": "2022-09-04T14:36:50.010725Z",
"updated_at": "2022-09-04T14:36:50.010750Z",
"structure_string": "Ta1 Mn2 Fe1 O6\n1.0\n4.645795 0.045963 3.124299\n1.687900 4.328569 3.124299\n0.066548 0.045963 5.598234\nTa Mn Fe O\n1 2 1 6\ndirect\n0.782632 0.782631 0.782633 Ta\n0.485006 0.485006 0.485007 Mn\n0.986463 0.986462 0.986464 Mn\n0.277020 0.277019 0.277020 Fe\n0.690165 0.063905 0.400121 O\n0.063906 0.400120 0.690165 O\n0.400120 0.690165 0.063906 O\n0.179908 0.880900 0.582678 O\n0.880900 0.582678 0.179909 O\n0.582679 0.179907 0.880900 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ta",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Mn-O-Ta",
"density": 6.632408190531463,
"density_atomic": 0.09022909498197301,
"volume": 110.82899592418512,
"volume_molar": 6.6742781374490905,
"formula_full": "Ta1 Mn2 Fe1 O6",
"formula_reduced": "TaMn2FeO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 3.7662220182758617,
"spacegroup": 146
}
]
}