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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=502",
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"results": [
{
"id": "jvasp-13425",
"created_at": "2022-09-04T14:36:41.226738Z",
"updated_at": "2022-09-04T14:36:41.226772Z",
"structure_string": "Sb2 S2 Cl18\n1.0\n8.290076 -0.121868 2.234658\n1.709531 8.112812 2.234658\n-0.116956 -0.093463 8.593405\nSb S Cl\n2 2 18\ndirect\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.706418 0.706418 0.706590 S\n0.293582 0.293582 0.293411 S\n0.968146 0.968146 0.293170 Cl\n0.653538 0.653539 0.953485 Cl\n0.346462 0.346461 0.046516 Cl\n0.046511 0.346277 0.346148 Cl\n0.653723 0.953488 0.653853 Cl\n0.953489 0.653723 0.653853 Cl\n0.346277 0.046511 0.346148 Cl\n0.685543 0.685543 0.358880 Cl\n0.314457 0.314457 0.641121 Cl\n0.358394 0.685233 0.685404 Cl\n0.641605 0.314767 0.314597 Cl\n0.685233 0.358395 0.685404 Cl\n0.968359 0.293347 0.968397 Cl\n0.706653 0.031641 0.031604 Cl\n0.031641 0.706653 0.031604 Cl\n0.293347 0.968359 0.968397 Cl\n0.031854 0.031854 0.706831 Cl\n0.314767 0.641605 0.314597 Cl\n",
"nsites": 22,
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"elements": [
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],
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"volume": 583.2734812468108,
"volume_molar": 15.966159116561432,
"formula_full": "Sb2 S2 Cl18",
"formula_reduced": "SbSCl9",
"formula_anonymous": "ABC9",
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"spacegroup": 166
},
{
"id": "jvasp-45322",
"created_at": "2022-09-04T14:36:47.947134Z",
"updated_at": "2022-09-04T14:36:47.947157Z",
"structure_string": "Sr2 P12 Pt8\n1.0\n5.814618 0.000806 0.050244\n0.192227 5.811440 0.050244\n-0.007541 -0.007296 11.588201\nSr P Pt\n2 12 8\ndirect\n0.597912 0.402089 0.250000 Sr\n0.402089 0.597912 0.750000 Sr\n0.129821 0.089453 0.305365 P\n0.608863 0.116376 0.948766 P\n0.116376 0.608862 0.448766 P\n0.391138 0.883625 0.051233 P\n0.615779 0.885576 0.446900 P\n0.883625 0.391138 0.551233 P\n0.384222 0.114425 0.553099 P\n0.885576 0.615778 0.946900 P\n0.089454 0.129820 0.805365 P\n0.870180 0.910547 0.694635 P\n0.910547 0.870180 0.194635 P\n0.114425 0.384222 0.053099 P\n0.506706 0.922687 0.249781 Pt\n0.922687 0.506706 0.749781 Pt\n0.493295 0.077313 0.750218 Pt\n0.500000 0.500000 0.500000 Pt\n0.500000 0.500000 -0.000000 Pt\n0.000000 -0.000000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.077314 0.493295 0.250218 Pt\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sr",
"P",
"Pt"
],
"chemical_system": "P-Pt-Sr",
"density": 8.93743705778744,
"density_atomic": 0.05618223063568522,
"volume": 391.58288574655273,
"volume_molar": 10.7189420780579,
"formula_full": "Sr2 P12 Pt8",
"formula_reduced": "Sr(P3Pt2)2",
"formula_anonymous": "AB4C6",
"energy_above_hull": 2.9816522645454544,
"spacegroup": 15
},
{
"id": "jvasp-51394",
"created_at": "2022-09-04T14:37:00.743700Z",
"updated_at": "2022-09-04T14:37:00.743728Z",
"structure_string": "Cd4 H4 S2 O12\n1.0\n5.248047 3.871034 -2.627127\n-5.248047 3.871034 2.627127\n-0.043797 0.000000 6.529960\nCd H S O\n4 4 2 12\ndirect\n0.852173 0.342791 0.815193 Cd\n0.342790 0.852174 0.684807 Cd\n0.147826 0.657209 0.184807 Cd\n0.657209 0.147826 0.315193 Cd\n0.767456 0.941654 0.815754 H\n0.941653 0.767456 0.684245 H\n0.232543 0.058346 0.184245 H\n0.058345 0.232543 0.315755 H\n0.317417 0.317417 0.750000 S\n0.682582 0.682582 0.250000 S\n0.043211 0.686798 0.795945 O\n0.686798 0.043211 0.704055 O\n0.751586 0.830482 0.394024 O\n0.830482 0.751586 0.105976 O\n0.248413 0.169517 0.605976 O\n0.319321 0.538164 0.595871 O\n0.461835 0.680678 0.095871 O\n0.680678 0.461835 0.404128 O\n0.538164 0.319321 0.904128 O\n0.313201 0.956788 0.295945 O\n0.169517 0.248413 0.894024 O\n0.956788 0.313201 0.204055 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Cd",
"H",
"S",
"O"
],
"chemical_system": "Cd-H-O-S",
"density": 4.45737932358562,
"density_atomic": 0.0831989918048997,
"volume": 264.42628116924357,
"volume_molar": 7.238237662929646,
"formula_full": "Cd4 H4 S2 O12",
"formula_reduced": "Cd2H2SO6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 1.8284154999999995,
"spacegroup": 15
},
{
"id": "jvasp-58890",
"created_at": "2022-09-04T14:37:02.015414Z",
"updated_at": "2022-09-04T14:37:02.015438Z",
"structure_string": "Rb8 Pb2 Br12\n1.0\n9.398569 0.014615 0.073483\n0.073025 9.398297 0.073483\n0.014706 0.014615 9.398845\nRb Pb Br\n8 2 12\ndirect\n0.633285 0.866717 0.250000 Rb\n0.250001 0.633285 0.866716 Rb\n0.866716 0.250001 0.633284 Rb\n0.366716 0.133285 0.750000 Rb\n0.750000 0.366716 0.133284 Rb\n0.133285 0.750000 0.366716 Rb\n0.750001 0.750001 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500001 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n0.940809 0.072770 0.308498 Br\n0.572770 0.440809 0.808498 Br\n0.191502 0.427231 0.559192 Br\n0.559192 0.191503 0.427230 Br\n0.427231 0.559192 0.191502 Br\n0.927231 0.691503 0.059191 Br\n0.059192 0.927231 0.691502 Br\n0.691502 0.059193 0.927231 Br\n0.808499 0.572771 0.440808 Br\n0.440809 0.808499 0.572770 Br\n0.308499 0.940809 0.072769 Br\n0.072770 0.308499 0.940809 Br\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Rb",
"Pb",
"Br"
],
"chemical_system": "Br-Pb-Rb",
"density": 4.114449789268518,
"density_atomic": 0.026500440029704597,
"volume": 830.1748942787361,
"volume_molar": 22.724682130748487,
"formula_full": "Rb8 Pb2 Br12",
"formula_reduced": "Rb4PbBr6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 167
},
{
"id": "jvasp-47566",
"created_at": "2022-09-04T14:37:00.649228Z",
"updated_at": "2022-09-04T14:37:00.649248Z",
"structure_string": "Li4 Fe2 Co4 O12\n1.0\n4.892542 0.018755 0.000000\n2.450078 4.258058 0.000000\n-0.000000 0.000000 9.722407\nLi Fe Co O\n4 2 4 12\ndirect\n0.500000 0.158372 0.750000 Li\n0.500000 0.341627 0.250000 Li\n0.500000 0.658372 0.750000 Li\n0.500000 0.841627 0.250000 Li\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.327991 0.336005 0.000000 Co\n0.327991 0.836006 0.500000 Co\n0.672009 0.163994 0.500000 Co\n0.672009 0.663994 0.000000 Co\n0.662840 0.333642 0.896091 O\n0.662840 0.003517 0.103909 O\n0.337160 0.666357 0.103909 O\n0.337160 0.496482 0.603909 O\n0.337160 0.166357 0.396091 O\n0.000000 0.171326 0.600190 O\n0.337160 0.996482 0.896091 O\n0.000000 0.671326 0.899810 O\n0.000000 0.328675 0.100190 O\n0.662840 0.503518 0.396091 O\n0.000000 0.828675 0.399810 O\n0.662840 0.833642 0.603909 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Co",
"O"
],
"chemical_system": "Co-Fe-Li-O",
"density": 4.6602449264877235,
"density_atomic": 0.1088583479200426,
"volume": 202.09750028687915,
"volume_molar": 5.532089063507849,
"formula_full": "Li4 Fe2 Co4 O12",
"formula_reduced": "Li2Fe(CoO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.7025025727272727,
"spacegroup": 64
},
{
"id": "jvasp-19065",
"created_at": "2022-09-04T14:36:54.999729Z",
"updated_at": "2022-09-04T14:36:54.999740Z",
"structure_string": "Er4 Sn4 O14\n1.0\n6.376475 -0.000000 3.681459\n2.125492 6.011798 3.681459\n0.000000 -0.000000 7.362919\nEr Sn O\n4 4 14\ndirect\n0.500000 0.500000 0.500000 Er\n-0.000000 0.500000 0.500000 Er\n0.500000 0.000000 0.500000 Er\n0.500000 0.500000 -0.000000 Er\n0.000000 0.000000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.500000 0.000000 -0.000000 Sn\n-0.000000 0.500000 0.000000 Sn\n0.090991 0.659009 0.090991 O\n0.659009 0.090991 0.659009 O\n0.659009 0.090991 0.090991 O\n0.625000 0.625000 0.625000 O\n0.909010 0.340991 0.340991 O\n0.340991 0.909009 0.340991 O\n0.340991 0.340991 0.909009 O\n0.909009 0.909009 0.340991 O\n0.909010 0.340991 0.909009 O\n0.090991 0.659009 0.659009 O\n0.340991 0.909009 0.909009 O\n0.375000 0.375000 0.375000 O\n0.659009 0.659009 0.090991 O\n0.090991 0.090991 0.659009 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
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"Sn",
"O"
],
"chemical_system": "Er-O-Sn",
"density": 8.047446469697192,
"density_atomic": 0.07794488436952848,
"volume": 282.2507234175923,
"volume_molar": 7.726152663784406,
"formula_full": "Er4 Sn4 O14",
"formula_reduced": "Er2Sn2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 1.9940734454545448,
"spacegroup": 227
},
{
"id": "jvasp-103920",
"created_at": "2022-09-04T14:36:42.272869Z",
"updated_at": "2022-09-04T14:36:42.272902Z",
"structure_string": "Zn1 H10 C7 O4\n1.0\n4.087389 0.105366 0.267174\n1.717864 4.080267 0.230123\n0.312191 -0.297183 11.300476\nZn H C O\n1 10 7 4\ndirect\n0.954397 0.035467 0.197310 Zn\n0.248531 0.801334 0.583089 H\n0.188051 0.782163 0.812992 H\n0.882310 0.598125 0.811206 H\n0.349884 0.123143 0.689771 H\n0.657198 0.304009 0.693826 H\n0.625455 0.265345 0.911711 H\n0.316418 0.088179 0.914183 H\n0.741343 0.277437 0.479377 H\n0.404585 0.146977 0.456513 H\n0.943863 0.618682 0.575316 H\n0.379757 0.563019 0.354094 C\n0.452363 0.370548 0.469223 C\n0.230849 0.560579 0.579991 C\n0.367551 0.364337 0.692865 C\n0.171364 0.541524 0.808853 C\n0.334127 0.328607 0.915614 C\n0.187331 0.471550 0.038670 C\n0.019145 0.786148 0.049540 O\n0.606826 0.477828 0.264053 O\n0.081196 0.819488 0.351970 O\n0.256180 0.268489 0.125207 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 1.9934018945694403,
"density_atomic": 0.11813337202476819,
"volume": 186.23018731224752,
"volume_molar": 5.097747280706912,
"formula_full": "Zn1 H10 C7 O4",
"formula_reduced": "ZnH10C7O4",
"formula_anonymous": "AB4C7D10",
"energy_above_hull": 4.3672424727272725,
"spacegroup": 1
},
{
"id": "jvasp-50830",
"created_at": "2022-09-04T14:36:42.282143Z",
"updated_at": "2022-09-04T14:36:42.282170Z",
"structure_string": "Na12 Mg2 O8\n1.0\n3.800395 -6.582476 -0.000000\n3.800395 6.582476 0.000000\n0.000000 0.000000 5.872160\nNa Mg O\n12 2 8\ndirect\n0.140145 0.859854 0.612315 Na\n0.859854 0.140145 0.112315 Na\n0.280290 0.140145 0.112315 Na\n0.925337 0.462668 0.788575 Na\n0.537331 0.462668 0.788575 Na\n0.140145 0.280290 0.612315 Na\n0.537331 0.074661 0.788575 Na\n0.462668 0.537331 0.288575 Na\n0.074661 0.537331 0.288575 Na\n0.719708 0.859854 0.612315 Na\n0.462668 0.925337 0.288575 Na\n0.859854 0.719708 0.112315 Na\n0.333332 0.666666 0.891239 Mg\n0.666666 0.333332 0.391239 Mg\n0.380996 0.190498 0.502659 O\n0.190498 0.809501 0.002659 O\n0.333332 0.666666 0.557366 O\n0.619002 0.809501 0.002659 O\n0.190498 0.380996 0.002659 O\n0.809501 0.619002 0.502659 O\n0.666666 0.333332 0.057366 O\n0.809501 0.190498 0.502659 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
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"Mg",
"O"
],
"chemical_system": "Mg-Na-O",
"density": 2.5574368609130005,
"density_atomic": 0.07488188742395405,
"volume": 293.79601338630783,
"volume_molar": 8.042186124269046,
"formula_full": "Na12 Mg2 O8",
"formula_reduced": "Na6MgO4",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.4015377727272727,
"spacegroup": 186
},
{
"id": "jvasp-29234",
"created_at": "2022-09-04T14:37:01.658101Z",
"updated_at": "2022-09-04T14:37:01.658124Z",
"structure_string": "Mo6 O16\n1.0\n5.354411 -0.222739 8.239682\n2.275472 4.851964 8.239682\n-0.367117 -0.222739 9.819742\nMo O\n6 16\ndirect\n0.250002 0.750010 0.250003 Mo\n0.749998 0.749997 0.249990 Mo\n0.250002 0.250002 0.750011 Mo\n0.749997 0.249989 0.749998 Mo\n0.750011 0.250002 0.250003 Mo\n0.249989 0.749997 0.749998 Mo\n0.876557 0.876556 0.876558 O\n0.894467 0.894466 0.350381 O\n0.376567 0.376567 0.376568 O\n0.623432 0.623432 0.623433 O\n0.123442 0.123442 0.123443 O\n0.649619 0.105533 0.105533 O\n0.149627 0.605540 0.605541 O\n0.350380 0.894466 0.894468 O\n0.105533 0.649619 0.105533 O\n0.605540 0.605540 0.149628 O\n0.394459 0.394459 0.850373 O\n0.850372 0.394459 0.394460 O\n0.605540 0.149627 0.605541 O\n0.894466 0.350380 0.894467 O\n0.394459 0.850371 0.394460 O\n0.105533 0.105533 0.649620 O\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Mo",
"O"
],
"chemical_system": "Mo-O",
"density": 4.9128653546072485,
"density_atomic": 0.07826689207526825,
"volume": 281.089480068314,
"volume_molar": 7.694365523302734,
"formula_full": "Mo6 O16",
"formula_reduced": "Mo3O8",
"formula_anonymous": "A3B8",
"energy_above_hull": 3.935542336363636,
"spacegroup": 166
},
{
"id": "jvasp-54715",
"created_at": "2022-09-04T14:37:00.836455Z",
"updated_at": "2022-09-04T14:37:00.836474Z",
"structure_string": "H14 Br2 O6\n1.0\n6.108026 0.000000 0.003661\n-0.012891 2.913432 5.910865\n-0.012891 -2.913432 5.910865\nH Br O\n14 2 6\ndirect\n0.489405 0.774668 0.047946 H\n0.231239 0.315740 0.235306 H\n0.254125 0.209904 0.075055 H\n0.803328 0.239165 0.317206 H\n0.776627 0.080398 0.201425 H\n0.303328 0.817206 0.739166 H\n0.034719 0.722207 0.710684 H\n0.534719 0.210683 0.222207 H\n0.754125 0.575055 0.709904 H\n0.731239 0.735307 0.815741 H\n0.012006 0.276325 0.551626 H\n0.989405 0.547945 0.274668 H\n0.512006 0.051626 0.776325 H\n0.276627 0.701425 0.580399 H\n0.503557 0.502548 0.499032 Br\n0.003557 -0.000969 0.002548 Br\n0.698237 0.125466 0.303915 O\n0.501390 0.865312 0.860448 O\n0.001389 0.360447 0.365312 O\n0.834276 0.622763 0.807122 O\n0.198237 0.803916 0.625467 O\n0.334276 0.307122 0.122762 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"H",
"Br",
"O"
],
"chemical_system": "Br-H-O",
"density": 2.1305398016251362,
"density_atomic": 0.10457679166820363,
"volume": 210.37172444341738,
"volume_molar": 5.758582438737237,
"formula_full": "H14 Br2 O6",
"formula_reduced": "H7BrO3",
"formula_anonymous": "AB3C7",
"energy_above_hull": 2.685323145909091,
"spacegroup": 9
},
{
"id": "jvasp-43129",
"created_at": "2022-09-04T14:36:39.961372Z",
"updated_at": "2022-09-04T14:36:39.961381Z",
"structure_string": "Li4 Mn2 Cr4 O12\n1.0\n4.983046 0.024352 -0.000000\n-2.483107 4.320361 0.000000\n0.000000 0.000000 9.982974\nLi Mn Cr O\n4 2 4 12\ndirect\n0.146800 0.646800 0.750000 Li\n0.353199 0.853199 0.250000 Li\n0.646801 0.146800 0.750000 Li\n0.853200 0.353199 0.250000 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.163225 0.836775 0.500000 Cr\n0.336775 0.663225 0.000000 Cr\n0.663225 0.336775 0.000000 Cr\n0.836775 0.163225 0.500000 Cr\n0.504818 0.171141 0.393300 O\n0.823200 0.823199 0.398220 O\n0.328859 0.995182 0.893300 O\n0.676800 0.676800 0.898220 O\n0.323200 0.323199 0.101780 O\n0.004818 0.671141 0.106700 O\n0.495182 0.828859 0.606699 O\n0.171141 0.504818 0.393300 O\n0.995182 0.328859 0.893300 O\n0.828859 0.495181 0.606699 O\n0.176800 0.176800 0.601779 O\n0.671141 0.004818 0.106700 O\n",
"nsites": 22,
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"elements": [
"Li",
"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Li-Mn-O",
"density": 4.142183467911623,
"density_atomic": 0.10207742052619642,
"volume": 215.52268745225666,
"volume_molar": 5.899581640049888,
"formula_full": "Li4 Mn2 Cr4 O12",
"formula_reduced": "Li2MnCr2O6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 3.073883912852664,
"spacegroup": 64
},
{
"id": "jvasp-19068",
"created_at": "2022-09-04T14:37:02.181249Z",
"updated_at": "2022-09-04T14:37:02.181273Z",
"structure_string": "Nd6 Nb2 O14\n1.0\n6.671258 -0.017131 0.000000\n-2.427046 6.214130 0.000000\n-0.000000 0.000000 7.726647\nNd Nb O\n6 2 14\ndirect\n0.926165 0.475680 0.750000 Nd\n0.000000 0.000000 0.000000 Nd\n0.000000 0.000000 0.500000 Nd\n0.524320 0.073835 0.250000 Nd\n0.475679 0.926165 0.750000 Nd\n0.073835 0.524320 0.250000 Nd\n0.500000 0.500000 0.500000 Nb\n0.500000 0.500000 0.000000 Nb\n0.438395 0.183926 0.537424 O\n0.561605 0.816074 0.037424 O\n0.816074 0.561606 0.037424 O\n0.576162 0.576162 0.750000 O\n0.438395 0.183926 0.962577 O\n0.816074 0.561606 0.462577 O\n0.183925 0.438394 0.962577 O\n0.155578 0.893844 0.250000 O\n0.844422 0.106156 0.750000 O\n0.893844 0.155578 0.250000 O\n0.106156 0.844422 0.750000 O\n0.423838 0.423838 0.250000 O\n0.561605 0.816074 0.462577 O\n0.183925 0.438394 0.537424 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Nd",
"Nb",
"O"
],
"chemical_system": "Nb-Nd-O",
"density": 6.617641565861004,
"density_atomic": 0.06875104849486936,
"volume": 319.9951198073987,
"volume_molar": 8.759343881787359,
"formula_full": "Nd6 Nb2 O14",
"formula_reduced": "Nd3NbO7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 2.689237127272727,
"spacegroup": 63
}
]
}