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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=4205",
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"results": [
{
"id": "jvasp-40686",
"created_at": "2022-09-04T14:38:00.856572Z",
"updated_at": "2022-09-04T14:38:00.856603Z",
"structure_string": "Li4 Fe4 Si4 O16\n1.0\n4.966677 0.000000 0.000000\n0.000000 6.057352 0.000000\n0.000000 0.000000 11.024893\nLi Fe Si O\n4 4 4 16\ndirect\n0.755735 0.991102 0.167958 Li\n0.255734 0.491102 0.332042 Li\n0.755735 0.508897 0.667958 Li\n0.255734 0.008898 0.832042 Li\n0.255822 0.740829 0.082699 Fe\n0.755822 0.240830 0.417301 Fe\n0.255822 0.759170 0.582699 Fe\n0.755822 0.259170 0.917301 Fe\n0.751305 0.757666 0.913733 Si\n0.251304 0.257666 0.586266 Si\n0.751305 0.742333 0.413733 Si\n0.251304 0.242334 0.086266 Si\n0.832696 0.531787 0.838931 O\n0.858774 0.984406 0.845369 O\n0.358773 0.484406 0.654630 O\n0.332696 0.031787 0.661068 O\n0.920611 0.269797 0.571102 O\n0.882702 0.745962 0.552181 O\n0.382702 0.254038 0.447818 O\n0.920611 0.230202 0.071102 O\n0.832696 0.968212 0.338931 O\n0.858774 0.515594 0.345370 O\n0.358773 0.015594 0.154630 O\n0.332696 0.468213 0.161069 O\n0.420611 0.769797 0.928897 O\n0.882702 0.754037 0.052182 O\n0.420611 0.730202 0.428898 O\n0.382702 0.245962 0.947818 O\n",
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],
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"volume": 331.6829231383647,
"volume_molar": 7.133718752955333,
"formula_full": "Li4 Fe4 Si4 O16",
"formula_reduced": "LiFeSiO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 33
},
{
"id": "jvasp-40981",
"created_at": "2022-09-04T14:37:53.980376Z",
"updated_at": "2022-09-04T14:37:53.980399Z",
"structure_string": "Li4 Fe4 Si4 O16\n1.0\n4.788244 -0.000000 0.000000\n-0.000000 5.866226 0.000000\n0.000000 0.000000 10.123990\nLi Fe Si O\n4 4 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.990234 0.250000 0.726231 Fe\n0.509765 0.250000 0.226231 Fe\n0.490234 0.750000 0.773769 Fe\n0.009766 0.750000 0.273769 Fe\n0.059366 0.250000 0.407104 Si\n0.440633 0.250000 0.907104 Si\n0.559366 0.750000 0.092896 Si\n0.940633 0.750000 0.592896 Si\n0.215764 0.033470 0.329936 O\n0.215764 0.466530 0.329936 O\n0.284235 0.033470 0.829936 O\n0.284235 0.466530 0.829936 O\n0.279288 0.750000 0.600085 O\n0.810111 0.750000 0.442458 O\n0.189888 0.250000 0.557542 O\n0.779287 0.250000 0.899915 O\n0.784235 0.533470 0.670064 O\n0.784235 0.966531 0.670064 O\n0.715764 0.533470 0.170064 O\n0.715764 0.966531 0.170064 O\n0.220712 0.750000 0.100085 O\n0.310112 0.250000 0.057542 O\n0.720712 0.250000 0.399915 O\n0.689888 0.750000 0.942458 O\n",
"nsites": 28,
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"elements": [
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],
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"density_atomic": 0.09846259109227734,
"volume": 284.37195984167136,
"volume_molar": 6.116171322727186,
"formula_full": "Li4 Fe4 Si4 O16",
"formula_reduced": "LiFeSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.438135442857143,
"spacegroup": 62
},
{
"id": "jvasp-44582",
"created_at": "2022-09-04T14:38:31.481562Z",
"updated_at": "2022-09-04T14:38:31.481584Z",
"structure_string": "Li4 Fe6 Sn2 O16\n1.0\n5.709572 -0.000086 -0.000378\n-2.854860 4.944764 0.000756\n0.000602 -0.001044 9.629979\nLi Fe Sn O\n4 6 2 16\ndirect\n0.333313 0.666681 0.894419 Li\n0.000082 0.000042 0.994211 Li\n0.999917 -0.000039 0.494211 Li\n0.666686 0.333368 0.394419 Li\n0.826860 0.653821 0.714498 Fe\n0.346101 0.173063 0.714504 Fe\n0.826858 0.173058 0.714502 Fe\n0.173141 0.346198 0.214502 Fe\n0.173138 0.826960 0.214498 Fe\n0.653898 0.826960 0.214504 Fe\n0.333292 0.666660 0.493953 Sn\n0.666707 0.333369 0.993953 Sn\n0.312656 0.156342 0.105472 O\n0.843752 0.687441 0.105451 O\n0.666606 0.333321 0.604045 O\n0.514773 0.029645 0.833606 O\n0.514762 0.485152 0.833598 O\n0.687343 0.843685 0.605472 O\n0.485226 0.514871 0.333606 O\n0.029663 0.514838 0.333583 O\n0.156223 0.312561 0.605445 O\n0.999931 -0.000035 0.806633 O\n0.000068 0.000032 0.306633 O\n0.333393 0.666714 0.104045 O\n0.970336 0.485173 0.833582 O\n0.156246 0.843687 0.605451 O\n0.485237 0.970389 0.333599 O\n0.843776 0.156338 0.105445 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 5.229692437639002,
"density_atomic": 0.1029881692717512,
"volume": 271.8758882500125,
"volume_molar": 5.847410243898591,
"formula_full": "Li4 Fe6 Sn2 O16",
"formula_reduced": "Li2Fe3SnO8",
"formula_anonymous": "AB2C3D8",
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"spacegroup": 186
},
{
"id": "jvasp-45016",
"created_at": "2022-09-04T14:35:50.829148Z",
"updated_at": "2022-09-04T14:35:50.829176Z",
"structure_string": "Li2 Fe2 Sn2 O8\n1.0\n6.291579 0.000000 0.000000\n3.145788 5.144226 0.128103\n3.145788 1.835518 4.807321\nLi Fe Sn O\n2 2 2 8\ndirect\n0.126481 0.123520 0.123519 Li\n0.873520 0.876482 0.876480 Li\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500001 -0.000000 Fe\n0.000000 0.500001 0.500000 Sn\n0.500000 0.500001 0.500000 Sn\n0.280086 0.256516 0.256515 O\n0.268737 0.238830 0.723696 O\n0.268737 0.723697 0.238829 O\n0.706885 0.256516 0.256515 O\n0.293115 0.743486 0.743484 O\n0.731264 0.761172 0.276303 O\n0.731264 0.276304 0.761170 O\n0.719914 0.743486 0.743484 O\n",
"nsites": 14,
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"elements": [
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],
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"density": 5.290363737176887,
"density_atomic": 0.09084359256421401,
"volume": 154.11103419433695,
"volume_molar": 6.629131004196216,
"formula_full": "Li2 Fe2 Sn2 O8",
"formula_reduced": "LiFeSnO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.0663816,
"spacegroup": 74
},
{
"id": "jvasp-44617",
"created_at": "2022-09-04T14:36:01.968420Z",
"updated_at": "2022-09-04T14:36:01.968446Z",
"structure_string": "Li2 Fe3 Sn1 O8\n1.0\n5.862984 0.036993 0.026158\n2.963529 5.058997 0.026158\n2.963529 1.710994 4.760949\nLi Fe Sn O\n2 3 1 8\ndirect\n0.119700 0.119700 0.119700 Li\n0.499252 0.499252 0.499253 Li\n0.019117 0.494131 0.494132 Fe\n0.494131 0.019116 0.494132 Fe\n0.494131 0.494131 0.019117 Fe\n0.879459 0.879458 0.879460 Sn\n0.260815 0.260815 0.260815 O\n0.250657 0.250656 0.712277 O\n0.250656 0.712277 0.250657 O\n0.712277 0.250656 0.250657 O\n0.298033 0.742389 0.742390 O\n0.742390 0.298032 0.742390 O\n0.742389 0.742389 0.298034 O\n0.736989 0.736988 0.736990 O\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Fe-Li-O-Sn",
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"density_atomic": 0.09987684631407895,
"volume": 140.17262775773605,
"volume_molar": 6.029566393258356,
"formula_full": "Li2 Fe3 Sn1 O8",
"formula_reduced": "Li2Fe3SnO8",
"formula_anonymous": "AB2C3D8",
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"spacegroup": 160
},
{
"id": "jvasp-43107",
"created_at": "2022-09-04T14:36:03.617769Z",
"updated_at": "2022-09-04T14:36:03.617785Z",
"structure_string": "Li2 Fe3 Sn1 O8\n1.0\n6.010884 0.177766 0.125700\n3.159392 5.116695 0.125700\n3.159392 1.824075 4.782166\nLi Fe Sn O\n2 3 1 8\ndirect\n0.120384 0.120384 0.120384 Li\n0.879614 0.879616 0.879617 Li\n-0.000001 0.500000 0.500000 Fe\n0.499999 0.000001 0.500000 Fe\n0.499999 0.500000 0.000000 Fe\n0.499999 0.500000 0.500001 Sn\n0.266232 0.266233 0.266233 O\n0.250526 0.250528 0.717814 O\n0.250527 0.717813 0.250528 O\n0.717812 0.250528 0.250528 O\n0.282186 0.749473 0.749473 O\n0.749471 0.282188 0.749473 O\n0.749471 0.749473 0.282187 O\n0.733766 0.733768 0.733768 O\n",
"nsites": 14,
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"elements": [
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],
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"volume": 141.7785765202008,
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"formula_full": "Li2 Fe3 Sn1 O8",
"formula_reduced": "Li2Fe3SnO8",
"formula_anonymous": "AB2C3D8",
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"spacegroup": 166
},
{
"id": "jvasp-43089",
"created_at": "2022-09-04T14:36:07.038176Z",
"updated_at": "2022-09-04T14:36:07.038202Z",
"structure_string": "Li1 Fe3 Sn2 S8\n1.0\n-5.079554 5.074099 -0.106094\n5.079554 -0.106094 5.074099\n5.079554 5.074099 -0.106094\nLi Fe Sn S\n1 3 2 8\ndirect\n0.987360 0.000001 0.012641 Li\n0.627280 0.252839 0.625559 Fe\n0.254407 0.500001 0.245594 Fe\n0.121604 0.747163 0.625558 Fe\n0.626418 0.257223 0.116362 Sn\n0.626419 0.742779 0.630803 Sn\n0.863237 0.259255 0.396017 S\n0.372812 0.220215 0.406975 S\n0.876311 0.293474 0.830219 S\n0.876311 0.706529 0.417163 S\n0.390282 0.240127 0.849844 S\n0.910032 0.759875 0.849844 S\n0.344731 0.740747 0.396017 S\n0.372813 0.779787 0.847402 S\n",
"nsites": 14,
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"elements": [
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],
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"density": 4.2453391663128786,
"density_atomic": 0.05354815273607633,
"volume": 261.4469273851898,
"volume_molar": 11.246215699879368,
"formula_full": "Li1 Fe3 Sn2 S8",
"formula_reduced": "LiFe3(SnS4)2",
"formula_anonymous": "AB2C3D8",
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},
{
"id": "jvasp-119279",
"created_at": "2022-09-04T14:38:50.519522Z",
"updated_at": "2022-09-04T14:38:50.519553Z",
"structure_string": "Li4 Fe6 Te2 O16\n1.0\n5.866439 -0.093361 -0.014109\n2.806306 4.996156 -1.610272\n-0.055061 0.105373 10.127893\nLi Fe Te O\n4 6 2 16\ndirect\n0.292636 0.404785 0.570654 Li\n0.795741 0.396512 0.071112 Li\n0.207293 0.595270 0.929347 Li\n0.704338 0.603423 0.428886 Li\n0.250054 0.999963 0.250000 Fe\n0.749951 0.000039 0.749997 Fe\n0.495778 -0.003839 0.002135 Fe\n0.750051 0.999957 0.249998 Fe\n0.249945 0.000061 0.750008 Fe\n0.004238 0.003818 0.497867 Fe\n0.749945 0.500036 0.749990 Te\n0.250048 0.499969 0.250006 Te\n0.095749 0.263577 0.635759 O\n0.356161 0.758671 0.366449 O\n0.857741 0.756153 0.865298 O\n0.896406 0.749754 0.359136 O\n0.404150 0.736495 0.864230 O\n0.603694 0.250174 0.140872 O\n0.143923 0.241275 0.133564 O\n0.595824 0.805390 0.145925 O\n0.352425 0.252249 0.365372 O\n0.868818 0.244246 0.862483 O\n0.904278 0.194531 0.354068 O\n0.424579 0.188334 0.859388 O\n0.631079 0.755836 0.637505 O\n0.075325 0.811745 0.640621 O\n0.642162 0.243911 0.634691 O\n0.147677 0.747674 0.134635 O\n",
"nsites": 28,
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"elements": [
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],
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"density_atomic": 0.09318500542313939,
"volume": 300.47752718214826,
"volume_molar": 6.462564156812939,
"formula_full": "Li4 Fe6 Te2 O16",
"formula_reduced": "Li2Fe3TeO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.706953733333333,
"spacegroup": 2
},
{
"id": "jvasp-110733",
"created_at": "2022-09-04T14:38:39.854474Z",
"updated_at": "2022-09-04T14:38:39.854494Z",
"structure_string": "Li2 Fe1 Te1 O6\n1.0\n5.013995 -0.012151 -0.000919\n-2.498731 3.636883 -2.380873\n0.001057 -0.019135 5.249122\nLi Fe Te O\n2 1 1 6\ndirect\n0.713443 0.426867 0.140278 Li\n0.208974 0.417921 0.626947 Li\n0.998765 0.997536 0.996295 Fe\n0.497936 0.995881 0.493821 Te\n0.627006 0.514994 0.775570 O\n0.778073 0.157711 0.269783 O\n0.887953 0.148492 0.775520 O\n0.112109 0.890163 0.269765 O\n0.260509 0.887509 0.775505 O\n0.379628 0.491713 0.269708 O\n",
"nsites": 10,
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"elements": [
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],
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"density": 5.109272356073861,
"density_atomic": 0.10489704305925357,
"volume": 95.33157187616112,
"volume_molar": 5.741001447102996,
"formula_full": "Li2 Fe1 Te1 O6",
"formula_reduced": "Li2FeTeO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.265487426666667,
"spacegroup": 146
},
{
"id": "jvasp-44525",
"created_at": "2022-09-04T14:38:09.964189Z",
"updated_at": "2022-09-04T14:38:09.964204Z",
"structure_string": "Li4 Fe3 Te1 O12\n1.0\n0.000000 4.788770 -0.012102\n8.097378 0.000000 0.000000\n0.000000 -0.075143 -4.917047\nLi Fe Te O\n4 3 1 12\ndirect\n0.000000 0.698616 0.000000 Li\n0.500000 0.802056 -0.000000 Li\n0.000000 0.333537 0.500000 Li\n0.500000 0.204215 0.500000 Li\n0.500000 0.424671 -0.000000 Fe\n0.000000 0.897085 0.500000 Fe\n0.500000 0.606791 0.500000 Fe\n0.000000 0.101778 0.000000 Te\n0.794054 0.918051 0.175583 O\n0.304945 0.433983 0.313486 O\n0.207480 0.079392 0.336285 O\n0.246664 0.755231 0.357349 O\n0.753336 0.755231 0.642651 O\n0.301205 0.587089 0.817630 O\n0.695055 0.433983 0.686514 O\n0.205947 0.918051 0.824417 O\n0.698796 0.587089 0.182370 O\n0.252030 0.262420 0.839046 O\n0.792520 0.079392 0.663715 O\n0.747971 0.262420 0.160954 O\n",
"nsites": 20,
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"elements": [
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],
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"density_atomic": 0.10489154239243963,
"volume": 190.6731424081105,
"volume_molar": 5.741302513665834,
"formula_full": "Li4 Fe3 Te1 O12",
"formula_reduced": "Li4Fe3TeO12",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.634687313333333,
"spacegroup": 3
},
{
"id": "jvasp-48117",
"created_at": "2022-09-04T14:36:09.674110Z",
"updated_at": "2022-09-04T14:36:09.674136Z",
"structure_string": "Li2 Fe3 Te1 O8\n1.0\n5.976979 0.137571 0.097277\n3.107630 5.107430 0.097277\n3.107630 1.794190 4.782906\nLi Fe Te O\n2 3 1 8\ndirect\n0.128129 0.128128 0.128129 Li\n0.871871 0.871870 0.871873 Li\n-0.000000 0.500000 0.500001 Fe\n0.500000 -0.000000 0.500001 Fe\n0.500000 0.500000 0.000001 Fe\n0.500000 0.499999 0.500001 Te\n0.265147 0.265147 0.265148 O\n0.254076 0.254076 0.717601 O\n0.254076 0.717600 0.254077 O\n0.717600 0.254076 0.254077 O\n0.282400 0.745923 0.745925 O\n0.745923 0.282399 0.745925 O\n0.745923 0.745923 0.282401 O\n0.734853 0.734852 0.734855 O\n",
"nsites": 14,
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"elements": [
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],
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"density_atomic": 0.09861946609796314,
"volume": 141.95980321058695,
"volume_molar": 6.106442265686105,
"formula_full": "Li2 Fe3 Te1 O8",
"formula_reduced": "Li2Fe3TeO8",
"formula_anonymous": "AB2C3D8",
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"spacegroup": 166
},
{
"id": "jvasp-43362",
"created_at": "2022-09-04T14:36:56.966384Z",
"updated_at": "2022-09-04T14:36:56.966408Z",
"structure_string": "Li4 Fe6 Te2 O16\n1.0\n2.885307 -4.997498 -0.000000\n2.885307 4.997498 0.000000\n-0.000000 -0.000000 9.828718\nLi Fe Te O\n4 6 2 16\ndirect\n0.666668 0.333333 0.087852 Li\n0.000000 0.000000 0.013601 Li\n0.000000 0.000000 0.510669 Li\n0.333333 0.666668 0.605369 Li\n0.645696 0.822849 0.282549 Fe\n0.177152 0.354305 0.282549 Fe\n0.177152 0.822849 0.282549 Fe\n0.345574 0.172787 0.785162 Fe\n0.827213 0.172787 0.785162 Fe\n0.827214 0.654427 0.785162 Fe\n0.666668 0.333333 0.509227 Te\n0.333333 0.666668 0.003145 Te\n0.153990 0.307981 0.896446 O\n0.692020 0.846011 0.896446 O\n0.333333 0.666668 0.395979 O\n0.027912 0.513956 0.147018 O\n0.486044 0.513956 0.147018 O\n0.836097 0.672195 0.404257 O\n0.513464 0.486537 0.675637 O\n0.513464 0.026927 0.675637 O\n0.327806 0.163904 0.404257 O\n0.000000 0.000000 0.203361 O\n0.000000 0.000000 0.698610 O\n0.666668 0.333333 0.891073 O\n0.486045 0.972089 0.147018 O\n0.836097 0.163904 0.404257 O\n0.973073 0.486537 0.675637 O\n0.153990 0.846011 0.896446 O\n",
"nsites": 28,
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"elements": [
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],
"chemical_system": "Fe-Li-O-Te",
"density": 5.120367420848685,
"density_atomic": 0.09878397606907788,
"volume": 283.4467806845525,
"volume_molar": 6.0962728973258,
"formula_full": "Li4 Fe6 Te2 O16",
"formula_reduced": "Li2Fe3TeO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.706543019047619,
"spacegroup": 156
}
]
}