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{
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"results": [
{
"id": "jvasp-45799",
"created_at": "2022-09-04T14:38:07.723094Z",
"updated_at": "2022-09-04T14:38:07.723104Z",
"structure_string": "Li4 Mn3 Fe2 O10\n1.0\n5.047435 0.015166 0.005048\n0.755249 4.925233 0.017227\n2.465704 2.101677 6.941813\nLi Mn Fe O\n4 3 2 10\ndirect\n0.495418 0.772890 0.432311 Li\n0.974558 0.494342 0.510620 Li\n0.496235 0.397231 0.217812 Li\n0.487899 0.201500 0.592244 Li\n0.504559 0.003176 0.000692 Mn\n0.004985 0.313889 0.895724 Mn\n0.006214 0.691539 0.108203 Mn\n-0.002454 0.899536 0.667365 Fe\n0.000736 0.105652 0.302666 Fe\n0.239070 0.147766 0.438442 O\n0.767155 0.215786 0.773697 O\n0.778602 0.450037 0.334599 O\n0.215512 0.534502 0.663437 O\n0.238455 0.968330 0.871711 O\n0.760698 0.876545 0.525269 O\n0.783216 0.641728 0.958846 O\n0.226392 0.354340 0.056910 O\n0.247618 0.777460 0.234061 O\n0.771859 0.049153 0.137351 O\n",
"nsites": 19,
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"elements": [
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],
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"density": 4.475433907693381,
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"volume": 172.25713265151418,
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"formula_full": "Li4 Mn3 Fe2 O10",
"formula_reduced": "Li4Mn3(FeO5)2",
"formula_anonymous": "A2B3C4D10",
"energy_above_hull": 2.9859783012704177,
"spacegroup": 1
},
{
"id": "jvasp-45855",
"created_at": "2022-09-04T14:38:05.409011Z",
"updated_at": "2022-09-04T14:38:05.409031Z",
"structure_string": "Li2 Co2 Cu2 O8\n1.0\n5.563998 -0.010469 -0.010653\n2.725939 5.170304 0.335891\n2.732733 2.066140 4.922343\nLi Co Cu O\n2 2 2 8\ndirect\n0.500001 0.499999 0.000000 Li\n0.500000 0.500000 0.500000 Li\n-0.000000 0.000000 0.500000 Co\n0.500000 -0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.264806 0.209242 0.713170 O\n0.748463 0.775213 0.722250 O\n0.274714 0.753757 0.703697 O\n0.188906 0.788131 0.284423 O\n0.811095 0.211868 0.715577 O\n0.725286 0.246242 0.296303 O\n0.251537 0.224786 0.277749 O\n0.735195 0.790757 0.286830 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Co",
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"O"
],
"chemical_system": "Co-Cu-Li-O",
"density": 4.655972767013837,
"density_atomic": 0.10147590800092392,
"volume": 137.96378151031212,
"volume_molar": 5.934552228835607,
"formula_full": "Li2 Co2 Cu2 O8",
"formula_reduced": "LiCoCuO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.9887807642857147,
"spacegroup": 2
},
{
"id": "jvasp-47337",
"created_at": "2022-09-04T14:38:05.346961Z",
"updated_at": "2022-09-04T14:38:05.346982Z",
"structure_string": "Li2 Fe2 Si1 O6\n1.0\n5.274044 0.000000 0.000000\n-2.637022 4.809374 0.000000\n0.000000 0.000000 6.081620\nLi Fe Si O\n2 2 1 6\ndirect\n0.000000 0.000000 0.286799 Li\n0.000000 0.000000 0.713201 Li\n0.000000 0.500000 0.671073 Fe\n0.500000 0.500000 0.328926 Fe\n0.500000 -0.000000 0.000000 Si\n0.216564 0.816203 0.845008 O\n0.160915 0.321827 0.500000 O\n0.599640 0.816203 0.154992 O\n0.400360 0.183796 0.154992 O\n0.839085 0.678172 0.500000 O\n0.783435 0.183796 0.845008 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
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"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 2.687422023656354,
"density_atomic": 0.07130846778253021,
"volume": 154.25937959495576,
"volume_molar": 8.44519724973723,
"formula_full": "Li2 Fe2 Si1 O6",
"formula_reduced": "Li2Fe2SiO6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.6653427818181816,
"spacegroup": 21
},
{
"id": "jvasp-55728",
"created_at": "2022-09-04T14:38:08.646030Z",
"updated_at": "2022-09-04T14:38:08.646060Z",
"structure_string": "Rb4 H4 C4 O8\n1.0\n4.619222 -0.000000 0.000000\n0.000000 7.269219 0.000000\n0.000000 0.000000 9.194425\nRb H C O\n4 4 4 8\ndirect\n0.950764 0.500000 0.250000 Rb\n0.049236 0.000000 0.750000 Rb\n0.049236 0.500000 0.750000 Rb\n0.950764 0.000000 0.250000 Rb\n0.423095 0.750000 0.034951 H\n0.423095 0.250000 0.465049 H\n0.576905 0.750000 0.534951 H\n0.576905 0.250000 0.965050 H\n0.603920 0.250000 0.546084 C\n0.603920 0.750000 0.953917 C\n0.396080 0.750000 0.453916 C\n0.396080 0.250000 0.046084 C\n0.139486 0.250000 0.996677 O\n0.139486 0.750000 0.503324 O\n0.860514 0.250000 0.496677 O\n0.860514 0.750000 0.003323 O\n0.465017 0.250000 0.179745 O\n0.465017 0.750000 0.320255 O\n0.534982 0.750000 0.820256 O\n0.534982 0.250000 0.679745 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"H",
"C",
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],
"chemical_system": "C-H-O-Rb",
"density": 2.8073031624803075,
"density_atomic": 0.06478117680701627,
"volume": 308.73165610405914,
"volume_molar": 9.296127450632786,
"formula_full": "Rb4 H4 C4 O8",
"formula_reduced": "RbHCO2",
"formula_anonymous": "ABCD2",
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"spacegroup": 57
},
{
"id": "jvasp-46748",
"created_at": "2022-09-04T14:38:05.197083Z",
"updated_at": "2022-09-04T14:38:05.197115Z",
"structure_string": "Li2 Fe2 Si2 O8\n1.0\n4.993035 -0.002558 -0.000209\n0.004260 5.530386 -0.001235\n0.070570 0.002301 6.082391\nLi Fe Si O\n2 2 2 8\ndirect\n0.010637 0.333685 0.749588 Li\n0.510856 0.666105 0.249626 Li\n0.009985 0.832431 0.998848 Fe\n0.509843 0.167335 0.498768 Fe\n0.005870 0.830767 0.501381 Si\n0.505804 0.169017 0.001301 Si\n0.139578 0.104229 0.521619 O\n0.121720 0.703446 0.273419 O\n0.075869 0.673132 0.724030 O\n0.177853 0.137544 0.981338 O\n0.639679 0.895557 0.021613 O\n0.575774 0.326618 0.223914 O\n0.621537 0.296337 0.773288 O\n0.677902 0.862223 0.481354 O\n",
"nsites": 14,
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"elements": [
"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 3.0623093359731,
"density_atomic": 0.08335530144351345,
"volume": 167.9557239618075,
"volume_molar": 7.224664365326498,
"formula_full": "Li2 Fe2 Si2 O8",
"formula_reduced": "LiFeSiO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 7
},
{
"id": "jvasp-27483",
"created_at": "2022-09-04T14:38:15.990276Z",
"updated_at": "2022-09-04T14:38:15.990305Z",
"structure_string": "Ca2 Zn2 Si4 O12\n1.0\n5.188176 -0.008054 1.054569\n1.237006 6.544896 0.614301\n-0.007874 0.027170 6.688977\nCa Zn Si O\n2 2 4 12\ndirect\n0.250001 0.699909 0.300092 Ca\n0.750001 0.300093 0.699908 Ca\n0.250001 0.094268 0.905732 Zn\n0.750001 0.905733 0.094268 Zn\n0.770681 0.379988 0.193308 Si\n0.729321 0.806693 0.620013 Si\n0.229321 0.620013 0.806692 Si\n0.270681 0.193308 0.379987 Si\n0.355520 0.026532 0.206815 O\n0.144481 0.793186 0.973468 O\n0.509226 0.329224 0.371692 O\n0.673498 0.610534 0.111169 O\n0.826504 0.888832 0.389467 O\n0.326504 0.389467 0.888831 O\n0.173498 0.111169 0.610533 O\n0.009226 0.371692 0.329224 O\n0.490776 0.670777 0.628308 O\n0.990776 0.628309 0.670777 O\n0.855521 0.206815 0.026532 O\n0.644482 0.973469 0.793185 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"Zn",
"Si",
"O"
],
"chemical_system": "Ca-O-Si-Zn",
"density": 3.7662219807438833,
"density_atomic": 0.08802767936151545,
"volume": 227.2012637963933,
"volume_molar": 6.841189957158862,
"formula_full": "Ca2 Zn2 Si4 O12",
"formula_reduced": "CaZn(SiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.961378902,
"spacegroup": 15
},
{
"id": "jvasp-112323",
"created_at": "2022-09-04T14:38:26.578212Z",
"updated_at": "2022-09-04T14:38:26.578222Z",
"structure_string": "Na2 Cr2 P4 S12\n1.0\n10.964777 0.046901 4.441477\n9.021827 6.197667 2.341713\n0.019804 -0.062693 6.783190\nNa Cr P S\n2 2 4 12\ndirect\n0.333967 0.333967 0.666033 Na\n0.583966 0.583968 0.916033 Na\n0.000521 0.000521 -0.000521 Cr\n0.250521 0.250521 0.249479 Cr\n0.105013 0.216434 0.012789 P\n0.216433 0.105014 0.665764 P\n0.237211 0.584236 0.144987 P\n0.584236 0.237211 0.033566 P\n0.966484 0.373589 0.566541 S\n0.373588 0.966485 0.093386 S\n0.780205 0.197485 0.777423 S\n0.197484 0.780206 0.244887 S\n0.472577 0.005113 0.469795 S\n0.295891 0.857182 0.682285 S\n0.567714 0.085359 0.954109 S\n0.085358 0.567715 0.392818 S\n0.156613 0.683460 0.876411 S\n0.857182 0.295891 0.164642 S\n0.005112 0.472577 0.052516 S\n0.683459 0.156613 0.283516 S\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Cr",
"P",
"S"
],
"chemical_system": "Cr-Na-P-S",
"density": 2.3951058999109107,
"density_atomic": 0.04379787516974563,
"volume": 456.64315728758123,
"volume_molar": 13.749846851383172,
"formula_full": "Na2 Cr2 P4 S12",
"formula_reduced": "NaCr(PS3)2",
"formula_anonymous": "ABC2D6",
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"spacegroup": 43
},
{
"id": "jvasp-46500",
"created_at": "2022-09-04T14:38:11.581319Z",
"updated_at": "2022-09-04T14:38:11.581349Z",
"structure_string": "Li1 Al2 Fe1 O6\n1.0\n4.901620 0.021512 -0.047411\n2.459826 4.239764 0.047411\n-0.883921 1.526993 4.885337\nLi Al Fe O\n1 2 1 6\ndirect\n0.500001 0.499999 0.500000 Li\n0.330954 0.330953 0.000000 Al\n0.669047 0.669045 0.000000 Al\n0.000000 0.000000 0.000000 Fe\n0.081412 0.595358 0.201090 O\n0.256625 0.743375 0.800979 O\n0.595360 0.081410 0.798910 O\n0.404642 0.918588 0.201090 O\n0.743377 0.256623 0.199022 O\n0.918591 0.404639 0.798910 O\n",
"nsites": 10,
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"elements": [
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"O"
],
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"density": 3.513201210881948,
"density_atomic": 0.09944743594974502,
"volume": 100.55563428556792,
"volume_molar": 6.0556018387877195,
"formula_full": "Li1 Al2 Fe1 O6",
"formula_reduced": "LiAl2FeO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.39655921,
"spacegroup": 12
},
{
"id": "jvasp-26822",
"created_at": "2022-09-04T14:38:29.398283Z",
"updated_at": "2022-09-04T14:38:29.398294Z",
"structure_string": "Rb2 Na2 Ti2 O6\n1.0\n5.572901 0.044293 0.142124\n0.259858 5.191380 2.793718\n0.026897 -0.010361 6.249093\nRb Na Ti O\n2 2 2 6\ndirect\n0.250000 0.266694 0.466610 Rb\n0.750000 0.733305 0.533390 Rb\n0.250001 0.575718 0.848563 Na\n0.750000 0.424282 0.151436 Na\n0.750000 0.051855 0.896290 Ti\n0.250000 0.948145 0.103710 Ti\n0.002165 0.227106 0.976056 O\n0.497836 0.796838 0.976056 O\n0.750000 0.212975 0.574049 O\n0.997835 0.772894 0.023944 O\n0.502165 0.203161 0.023944 O\n0.250000 0.787024 0.425951 O\n",
"nsites": 12,
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"elements": [
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],
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"density_atomic": 0.06634772294657117,
"volume": 180.8652877155019,
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"formula_full": "Rb2 Na2 Ti2 O6",
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"formula_anonymous": "ABCD3",
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"spacegroup": 15
},
{
"id": "jvasp-111382",
"created_at": "2022-09-04T14:38:26.233628Z",
"updated_at": "2022-09-04T14:38:26.233655Z",
"structure_string": "Cd2 Ga1 Cu1 Se4\n1.0\n5.402749 0.034182 -4.879659\n-1.044140 5.301004 -4.879659\n-0.027925 -0.034182 7.280109\nCd Ga Cu Se\n2 1 1 4\ndirect\n0.750001 0.250000 0.500000 Cd\n0.250000 0.750000 0.500000 Cd\n0.500000 0.500000 -0.000000 Ga\n0.000000 0.000000 0.000000 Cu\n0.640107 0.640106 0.501657 Se\n0.359894 0.861549 -0.000001 Se\n0.138451 0.138450 0.498344 Se\n0.861550 0.359893 -0.000001 Se\n",
"nsites": 8,
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],
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"formula_full": "Cd2 Ga1 Cu1 Se4",
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"formula_anonymous": "ABC2D4",
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"spacegroup": 121
},
{
"id": "jvasp-117416",
"created_at": "2022-09-04T14:38:26.585344Z",
"updated_at": "2022-09-04T14:38:26.585368Z",
"structure_string": "Li3 Cr2 Cu1 O6\n1.0\n4.900541 -0.268441 14.700906\n1.712440 2.322026 9.276316\n0.277819 -0.124597 9.709870\nLi Cr Cu O\n3 2 1 6\ndirect\n0.166667 0.500000 0.500000 Li\n0.488193 0.509078 0.509078 Li\n0.845140 0.490922 0.490923 Li\n0.005551 0.994141 0.994141 Cr\n0.327783 0.005859 0.005859 Cr\n0.666666 0.000000 0.000000 Cu\n0.202148 0.286911 0.286911 O\n0.587409 0.254714 0.254714 O\n0.131185 0.713089 0.713089 O\n0.964310 0.223900 0.223900 O\n0.369023 0.776101 0.776101 O\n0.745923 0.745287 0.745287 O\n",
"nsites": 12,
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"elements": [
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"Cu",
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],
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"density": 4.400381480734015,
"density_atomic": 0.1118298228027042,
"volume": 107.30590194326788,
"volume_molar": 5.385093715675972,
"formula_full": "Li3 Cr2 Cu1 O6",
"formula_reduced": "Li3Cr2CuO6",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.4484138541666667,
"spacegroup": 12
},
{
"id": "jvasp-108166",
"created_at": "2022-09-04T14:38:16.019053Z",
"updated_at": "2022-09-04T14:38:16.019080Z",
"structure_string": "Ag2 Sn1 Bi1 S4\n1.0\n5.089343 0.003392 -4.642317\n-0.989181 4.992289 -4.642317\n-0.002784 -0.003392 6.888578\nAg Sn Bi S\n2 1 1 4\ndirect\n0.500000 0.500000 -0.000001 Ag\n0.250001 0.750000 0.500000 Ag\n0.000000 0.000000 0.000000 Sn\n0.750000 0.250000 0.500000 Bi\n0.498698 0.998698 0.500000 S\n0.247285 0.247285 -0.000000 S\n0.001303 0.501303 0.500001 S\n0.752715 0.752715 -0.000001 S\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Ag-Bi-S-Sn",
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"density_atomic": 0.04574453852183511,
"volume": 174.88426506218622,
"volume_molar": 13.164720761420444,
"formula_full": "Ag2 Sn1 Bi1 S4",
"formula_reduced": "Ag2SnBiS4",
"formula_anonymous": "ABC2D4",
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"spacegroup": 119
}
]
}