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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=1093",
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"results": [
{
"id": "jvasp-45176",
"created_at": "2022-09-04T14:36:59.910191Z",
"updated_at": "2022-09-04T14:36:59.910206Z",
"structure_string": "Cr5 Sb3 O16\n1.0\n6.032200 -0.001968 0.019941\n2.986043 5.241287 0.019730\n0.052356 0.030768 8.841545\nCr Sb O\n5 3 16\ndirect\n0.836094 0.335703 0.794411 Cr\n0.656843 0.656826 0.519558 Cr\n0.335721 0.836077 0.794411 Cr\n0.169202 0.169186 0.291124 Cr\n0.326184 0.326171 0.002190 Cr\n0.833826 0.833810 0.791151 Sb\n0.666433 0.169272 0.288371 Sb\n0.169289 0.666416 0.288373 Sb\n0.659464 0.174024 0.899896 O\n0.332215 0.332198 0.409623 O\n0.049893 0.470954 0.158979 O\n0.470971 0.049876 0.158978 O\n0.830632 0.830618 0.400637 O\n0.172206 0.172189 0.892171 O\n0.519635 0.948171 0.655756 O\n0.004839 0.004819 0.686374 O\n0.335150 0.831419 0.398213 O\n0.004328 0.004308 0.175625 O\n0.478269 0.478252 0.149406 O\n0.665674 0.665660 0.906021 O\n0.529673 0.529654 0.669144 O\n0.831434 0.335135 0.398212 O\n0.948187 0.519617 0.655755 O\n0.174039 0.659449 0.899895 O\n",
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],
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"density_atomic": 0.08584204149443037,
"volume": 279.58328555777854,
"volume_molar": 7.015374582384239,
"formula_full": "Cr5 Sb3 O16",
"formula_reduced": "Cr5Sb3O16",
"formula_anonymous": "A3B5C16",
"energy_above_hull": 3.506960470833333,
"spacegroup": 8
},
{
"id": "jvasp-112482",
"created_at": "2022-09-04T14:38:40.535669Z",
"updated_at": "2022-09-04T14:38:40.535696Z",
"structure_string": "Cr5 Se8\n1.0\n5.618652 -0.018683 3.859693\n0.957939 5.536420 3.859693\n0.004957 0.004159 8.432190\nCr Se\n5 8\ndirect\n0.000000 0.000000 0.000000 Cr\n0.270207 0.270207 0.987153 Cr\n0.729794 0.729794 0.012846 Cr\n0.271575 0.728426 0.499999 Cr\n0.728426 0.271575 0.499999 Cr\n0.974992 0.974993 0.325294 Se\n0.025008 0.025008 0.674705 Se\n0.450797 0.450797 0.333914 Se\n0.549204 0.549204 0.666085 Se\n0.033168 0.544467 0.170995 Se\n0.544467 0.033168 0.170995 Se\n0.966832 0.455534 0.829004 Se\n0.455533 0.966833 0.829004 Se\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Cr",
"Se"
],
"chemical_system": "Cr-Se",
"density": 5.645430452206917,
"density_atomic": 0.04956690343404037,
"volume": 262.27178014659216,
"volume_molar": 12.14951982629655,
"formula_full": "Cr5 Se8",
"formula_reduced": "Cr5Se8",
"formula_anonymous": "A5B8",
"energy_above_hull": 3.27444337948718,
"spacegroup": 12
},
{
"id": "jvasp-46798",
"created_at": "2022-09-04T14:38:09.036206Z",
"updated_at": "2022-09-04T14:38:09.036237Z",
"structure_string": "Cr5 Si4 O14\n1.0\n5.626462 -0.012913 0.017015\n-2.047842 7.056960 0.013845\n-0.101498 -3.079653 7.144890\nCr Si O\n5 4 14\ndirect\n0.000000 0.000000 0.000000 Cr\n0.077050 0.396232 0.807587 Cr\n0.650866 0.588368 0.699440 Cr\n0.349134 0.411633 0.300561 Cr\n0.922951 0.603769 0.192415 Cr\n0.499615 0.231530 0.863271 Si\n0.777703 0.211394 0.392453 Si\n0.222297 0.788607 0.607549 Si\n0.500385 0.768472 0.136730 Si\n0.459420 0.992256 0.726585 O\n0.589707 0.637417 0.244007 O\n0.997990 0.782323 0.745867 O\n0.329126 0.588710 0.566795 O\n0.677832 0.777350 0.969565 O\n0.322169 0.222651 0.030436 O\n0.540580 0.007746 0.273417 O\n0.002010 0.217679 0.254134 O\n0.410293 0.362585 0.755994 O\n0.208493 0.645783 0.045528 O\n0.791508 0.354219 0.954473 O\n0.876170 0.208740 0.585035 O\n0.670874 0.411291 0.433206 O\n0.123830 0.791262 0.414966 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Cr",
"Si",
"O"
],
"chemical_system": "Cr-O-Si",
"density": 3.4883069082293057,
"density_atomic": 0.0810248709735403,
"volume": 283.8634572773456,
"volume_molar": 7.432459549323571,
"formula_full": "Cr5 Si4 O14",
"formula_reduced": "Cr5(Si2O7)2",
"formula_anonymous": "A4B5C14",
"energy_above_hull": 3.789137408695652,
"spacegroup": 2
},
{
"id": "jvasp-58365",
"created_at": "2022-09-04T14:36:42.737292Z",
"updated_at": "2022-09-04T14:36:42.737323Z",
"structure_string": "Cr10 Si6\n1.0\n4.321513 -0.000000 1.544881\n2.160756 6.429339 0.772440\n-0.003507 0.000000 6.826559\nCr Si\n10 6\ndirect\n0.250000 0.500000 0.500000 Cr\n0.750000 0.500000 0.500000 Cr\n0.076224 0.152833 0.694718 Cr\n0.770942 0.305282 0.152833 Cr\n0.229057 0.694718 0.847167 Cr\n0.923775 0.847167 0.305282 Cr\n0.270942 0.152833 0.305282 Cr\n0.729057 0.847167 0.694718 Cr\n0.423775 0.305282 0.847167 Cr\n0.576224 0.694718 0.152833 Cr\n0.250000 0.000000 0.000000 Si\n0.750000 0.000000 0.000000 Si\n0.167269 0.500000 0.165462 Si\n0.332731 0.834538 0.500000 Si\n0.667268 0.165462 0.500000 Si\n0.832730 0.500000 0.834538 Si\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Cr-Si",
"density": 6.026329764358705,
"density_atomic": 0.08434051219290728,
"volume": 189.7071713698407,
"volume_molar": 7.140270557316391,
"formula_full": "Cr10 Si6",
"formula_reduced": "Cr5Si3",
"formula_anonymous": "A3B5",
"energy_above_hull": 4.826771600000001,
"spacegroup": 140
},
{
"id": "jvasp-102775",
"created_at": "2022-09-04T14:36:50.043581Z",
"updated_at": "2022-09-04T14:36:50.043595Z",
"structure_string": "Cr6 B1 C3\n1.0\n4.818845 0.001688 0.000000\n-3.978354 2.719186 0.000000\n0.000000 0.000000 6.927791\nCr B C\n6 1 3\ndirect\n0.854644 0.145359 0.184553 Cr\n0.137502 0.862501 0.318217 Cr\n0.854644 0.145359 0.815447 Cr\n0.137502 0.862501 0.681783 Cr\n0.602482 0.397521 -0.000000 Cr\n0.415514 0.584489 0.500000 Cr\n0.756723 0.243279 0.500000 B\n0.497604 0.502398 0.242915 C\n0.497604 0.502398 0.757084 C\n0.245800 0.754203 -0.000000 C\n",
"nsites": 10,
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"elements": [
"Cr",
"B",
"C"
],
"chemical_system": "B-C-Cr",
"density": 6.560337872920383,
"density_atomic": 0.11010342552969755,
"volume": 90.82369555616377,
"volume_molar": 5.469530789826048,
"formula_full": "Cr6 B1 C3",
"formula_reduced": "Cr6BC3",
"formula_anonymous": "AB3C6",
"energy_above_hull": 6.126610698333333,
"spacegroup": 38
},
{
"id": "jvasp-108140",
"created_at": "2022-09-04T14:38:28.656729Z",
"updated_at": "2022-09-04T14:38:28.656750Z",
"structure_string": "Cr6 C3 N1\n1.0\n4.825331 -0.003350 0.000000\n-4.023767 2.663293 0.000000\n-0.000000 -0.000000 6.969379\nCr C N\n6 3 1\ndirect\n0.596963 0.403036 -0.000000 Cr\n0.389050 0.610948 0.500000 Cr\n0.863228 0.136772 0.169197 Cr\n0.147885 0.852113 0.315784 Cr\n0.863228 0.136772 0.830803 Cr\n0.147885 0.852113 0.684217 Cr\n0.502074 0.497924 0.257279 C\n0.502074 0.497924 0.742721 C\n0.244269 0.755729 -0.000000 C\n0.743336 0.256663 0.500000 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"C",
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],
"chemical_system": "C-Cr-N",
"density": 6.718800893312778,
"density_atomic": 0.11176752351398848,
"volume": 89.47142860106791,
"volume_molar": 5.388095370339208,
"formula_full": "Cr6 C3 N1",
"formula_reduced": "Cr6C3N",
"formula_anonymous": "AB3C6",
"energy_above_hull": 6.209264765,
"spacegroup": 38
},
{
"id": "jvasp-102776",
"created_at": "2022-09-04T14:36:51.514232Z",
"updated_at": "2022-09-04T14:36:51.514250Z",
"structure_string": "Cr6 C3 N1\n1.0\n4.815312 0.004652 0.103602\n4.001284 2.678988 0.103602\n0.070834 0.021561 6.906578\nCr C N\n6 3 1\ndirect\n0.598187 0.598188 0.241202 Cr\n0.401811 0.401811 0.758797 Cr\n0.858987 0.858988 0.437723 Cr\n0.141011 0.141011 0.562277 Cr\n0.851784 0.851785 0.080315 Cr\n0.148214 0.148215 0.919685 Cr\n0.499999 0.500000 0.500000 C\n0.247155 0.247155 0.261925 C\n0.752843 0.752845 0.738074 C\n0.499999 0.500000 -0.000000 N\n",
"nsites": 10,
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"elements": [
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"C",
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],
"chemical_system": "C-Cr-N",
"density": 6.758492266005466,
"density_atomic": 0.11242779109762052,
"volume": 88.94597948043867,
"volume_molar": 5.356452084672734,
"formula_full": "Cr6 C3 N1",
"formula_reduced": "Cr6C3N",
"formula_anonymous": "AB3C6",
"energy_above_hull": 6.202997765,
"spacegroup": 12
},
{
"id": "jvasp-52857",
"created_at": "2022-09-04T14:36:41.186233Z",
"updated_at": "2022-09-04T14:36:41.186253Z",
"structure_string": "Cr7 Se8\n1.0\n6.426016 3.730244 -0.113517\n0.024161 3.730244 6.016665\n6.450177 0.000000 5.903149\nCr Se\n7 8\ndirect\n0.500000 0.499999 0.500001 Cr\n0.500000 -0.000001 0.000000 Cr\n-0.000000 0.500000 0.500001 Cr\n0.769118 0.769118 0.730883 Cr\n0.230881 0.230881 0.269119 Cr\n0.765643 0.234356 0.242553 Cr\n0.234356 0.765643 0.757449 Cr\n0.951600 0.048399 0.715526 Se\n0.048399 0.951600 0.284476 Se\n0.463769 0.536230 0.203617 Se\n0.536230 0.463769 0.796384 Se\n0.470285 0.042352 0.698562 Se\n0.042352 0.470284 0.788802 Se\n0.957647 0.529714 0.211200 Se\n0.529714 0.957647 0.301440 Se\n",
"nsites": 15,
"nelements": 2,
"elements": [
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],
"chemical_system": "Cr-Se",
"density": 5.7314071421133885,
"density_atomic": 0.05199906640328086,
"volume": 288.46671753040516,
"volume_molar": 11.581247850288397,
"formula_full": "Cr7 Se8",
"formula_reduced": "Cr7Se8",
"formula_anonymous": "A7B8",
"energy_above_hull": 3.672950582222223,
"spacegroup": 12
},
{
"id": "jvasp-117222",
"created_at": "2022-09-04T14:38:48.730813Z",
"updated_at": "2022-09-04T14:38:48.730840Z",
"structure_string": "Cr8 Co3 Ni1 S16\n1.0\n6.887475 -0.000000 0.000000\n-3.443738 5.616626 2.007859\n-0.000000 -0.042118 11.930733\nCr Co Ni S\n8 3 1 16\ndirect\n0.999636 0.499272 0.001093 Cr\n0.500173 0.500347 0.499481 Cr\n0.750770 0.001538 0.249208 Cr\n0.249904 -0.000192 0.750595 Cr\n0.750770 0.500023 0.249208 Cr\n0.249904 0.499501 0.750595 Cr\n0.249254 0.500023 0.249208 Cr\n0.749598 0.499501 0.750595 Cr\n0.687455 0.874911 0.937634 Co\n0.187528 0.875055 0.437417 Co\n0.812493 0.124985 0.562523 Co\n0.312490 0.124980 0.062531 Ni\n0.883097 0.744460 0.872443 S\n0.383233 0.744697 0.372069 S\n0.883097 0.266192 0.872443 S\n0.383233 0.266467 0.372069 S\n0.122321 0.744643 0.633037 S\n0.622211 0.744422 0.133368 S\n0.139316 0.255716 0.627885 S\n0.377780 0.255561 0.866659 S\n0.616399 0.255716 0.627885 S\n0.116698 0.255587 0.127716 S\n0.616399 0.732799 0.627885 S\n0.116698 0.733394 0.127716 S\n0.861464 0.744697 0.372069 S\n0.877832 0.255663 0.366506 S\n0.638890 0.255587 0.127716 S\n0.361364 0.744460 0.872443 S\n",
"nsites": 28,
"nelements": 4,
"elements": [
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],
"chemical_system": "Co-Cr-Ni-S",
"density": 4.184454550230225,
"density_atomic": 0.06059093166546616,
"volume": 462.11535671036097,
"volume_molar": 9.93901330524073,
"formula_full": "Cr8 Co3 Ni1 S16",
"formula_reduced": "Cr8Co3NiS16",
"formula_anonymous": "AB3C8D16",
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"spacegroup": 160
},
{
"id": "jvasp-116709",
"created_at": "2022-09-04T14:38:44.037269Z",
"updated_at": "2022-09-04T14:38:44.037292Z",
"structure_string": "Cr8 Fe3 Cu1 S16\n1.0\n6.886443 -0.000000 0.000000\n0.000000 9.725987 0.000000\n0.000000 -0.000000 6.886443\nCr Fe Cu S\n8 3 1 16\ndirect\n0.250000 0.748468 0.250074 Cr\n0.750000 0.251463 0.749505 Cr\n0.750000 0.251463 0.250494 Cr\n0.250000 0.748468 0.749926 Cr\n0.500074 0.501532 -0.000000 Cr\n0.999505 -0.001463 0.500000 Cr\n-0.000074 0.501532 -0.000000 Cr\n0.500494 -0.001463 0.500000 Cr\n0.250000 0.374165 0.500000 Fe\n0.750000 0.875835 -0.000000 Fe\n0.750000 0.625000 0.500000 Fe\n0.250000 0.125000 -0.000000 Cu\n0.492779 0.750659 0.500000 S\n0.983326 0.260045 -0.000000 S\n0.250000 0.989955 0.266674 S\n0.750000 0.499342 0.757221 S\n0.250000 0.989955 0.733326 S\n0.750000 0.499342 0.242779 S\n0.994115 0.245429 0.500000 S\n0.750000 0.004571 0.255884 S\n0.505884 0.245429 0.500000 S\n0.007493 0.748331 -0.000000 S\n0.750000 0.004571 0.744115 S\n0.250000 0.501670 0.242507 S\n0.516673 0.260045 -0.000000 S\n0.250000 0.501670 0.757493 S\n0.492506 0.748331 -0.000000 S\n0.007221 0.750659 0.500000 S\n",
"nsites": 28,
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"elements": [
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"S"
],
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"density": 4.176544439615086,
"density_atomic": 0.06070639345372918,
"volume": 461.23642679155023,
"volume_molar": 9.920109592064822,
"formula_full": "Cr8 Fe3 Cu1 S16",
"formula_reduced": "Cr8Fe3CuS16",
"formula_anonymous": "AB3C8D16",
"energy_above_hull": 3.575503433928572,
"spacegroup": 115
},
{
"id": "jvasp-111527",
"created_at": "2022-09-04T14:38:40.959903Z",
"updated_at": "2022-09-04T14:38:40.959927Z",
"structure_string": "Cr9 Fe1 B6\n1.0\n4.870102 -0.000314 -4.000431\n-1.088357 4.746934 -4.000431\n0.000250 0.000314 6.302487\nCr Fe B\n9 1 6\ndirect\n0.522444 0.025128 0.843415 Cr\n0.181713 0.679029 0.156585 Cr\n0.025128 0.181713 0.502684 Cr\n0.679029 0.522444 0.497316 Cr\n0.477554 0.974871 0.156585 Cr\n0.818286 0.320970 0.843415 Cr\n0.974870 0.818286 0.497316 Cr\n0.320970 0.477555 0.502683 Cr\n0.499999 0.500000 -0.000000 Cr\n0.000000 0.000000 0.000000 Fe\n0.885452 0.377572 0.263025 B\n0.114547 0.622427 0.736975 B\n0.377572 0.114547 0.492120 B\n0.622427 0.885452 0.507879 B\n0.252047 0.252048 -0.000000 B\n0.747951 0.747952 -0.000000 B\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cr",
"Fe",
"B"
],
"chemical_system": "B-Cr-Fe",
"density": 6.708603190398889,
"density_atomic": 0.10980616731081703,
"volume": 145.7113055836877,
"volume_molar": 5.484337453427134,
"formula_full": "Cr9 Fe1 B6",
"formula_reduced": "Cr9FeB6",
"formula_anonymous": "AB6C9",
"energy_above_hull": 5.700626725,
"spacegroup": 87
},
{
"id": "jvasp-99760",
"created_at": "2022-09-04T14:36:31.548305Z",
"updated_at": "2022-09-04T14:36:31.548319Z",
"structure_string": "Cr1 Ag3\n1.0\n3.736617 -0.018559 -3.340954\n-0.759807 3.658599 -3.340954\n0.015177 0.018559 5.012390\nCr Ag\n1 3\ndirect\n0.000000 0.000000 0.000000 Cr\n0.750001 0.250000 0.500001 Ag\n0.250000 0.750000 0.500001 Ag\n0.500000 0.500000 0.000001 Ag\n",
"nsites": 4,
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"elements": [
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],
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"density": 9.049897350124063,
"density_atomic": 0.058040100271199775,
"volume": 68.91786853071393,
"volume_molar": 10.375827629278342,
"formula_full": "Cr1 Ag3",
"formula_reduced": "CrAg3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.0666147950000002,
"spacegroup": 139
}
]
}