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=energy_above_hull&page=3794",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=3792",
"results": [
{
"id": "jvasp-59682",
"created_at": "2022-09-04T14:36:59.884470Z",
"updated_at": "2022-09-04T14:36:59.884503Z",
"structure_string": "Rb1 Hg1 N3 O6\n1.0\n5.854284 -0.000000 0.000000\n-0.000000 5.854284 -0.000000\n-0.000000 -0.000000 5.854284\nRb Hg N O\n1 1 3 6\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Hg\n0.500000 0.500000 0.000000 N\n0.500000 0.000000 0.500000 N\n0.000000 0.500000 0.500000 N\n0.500000 0.000000 0.712519 O\n0.000000 0.712519 0.500000 O\n0.000000 0.287480 0.500000 O\n0.500000 0.000000 0.287480 O\n0.287480 0.500000 0.000000 O\n0.712519 0.500000 0.000000 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Rb",
"Hg",
"N",
"O"
],
"chemical_system": "Hg-N-O-Rb",
"density": 3.509697535378747,
"density_atomic": 0.054824076463530116,
"volume": 200.64177473773557,
"volume_molar": 10.984481907335052,
"formula_full": "Rb1 Hg1 N3 O6",
"formula_reduced": "RbHg(NO2)3",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 3.0347841227272725,
"spacegroup": 200
},
{
"id": "jvasp-19767",
"created_at": "2022-09-04T14:38:27.261430Z",
"updated_at": "2022-09-04T14:38:27.261456Z",
"structure_string": "Nb1 N1\n1.0\n2.732586 -0.000000 1.577659\n0.910862 2.576306 1.577659\n0.000000 0.000000 3.155318\nNb N\n1 1\ndirect\n0.500000 0.500001 0.500000 Nb\n0.000000 0.000000 0.000000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Nb",
"N"
],
"chemical_system": "N-Nb",
"density": 7.992184842818686,
"density_atomic": 0.09003587235542242,
"volume": 22.21336837949291,
"volume_molar": 6.68860155675197,
"formula_full": "Nb1 N1",
"formula_reduced": "NbN",
"formula_anonymous": "AB",
"energy_above_hull": 3.035086325,
"spacegroup": 225
},
{
"id": "jvasp-59659",
"created_at": "2022-09-04T14:37:39.435686Z",
"updated_at": "2022-09-04T14:37:39.435713Z",
"structure_string": "U3 Co2 Ge7\n1.0\n4.182954 0.000000 0.000000\n0.000000 4.099136 -0.681818\n0.000000 0.004940 12.692743\nU Co Ge\n3 2 7\ndirect\n0.000000 0.814107 0.628211 U\n0.000000 0.185894 0.371788 U\n0.500000 0.500000 -0.000000 U\n0.500000 0.628353 0.256706 Co\n0.500000 0.371647 0.743294 Co\n0.500000 0.720222 0.440442 Ge\n0.000000 0.000000 0.000000 Ge\n0.000000 0.411215 0.822430 Ge\n0.000000 0.588786 0.177570 Ge\n0.500000 0.088024 0.176048 Ge\n0.500000 0.911977 0.823951 Ge\n0.500000 0.279779 0.559557 Ge\n",
"nsites": 12,
"nelements": 3,
"elements": [
"U",
"Co",
"Ge"
],
"chemical_system": "Co-Ge-U",
"density": 10.22669328722038,
"density_atomic": 0.055134346283181576,
"volume": 217.65017287709335,
"volume_molar": 10.922666479201588,
"formula_full": "U3 Co2 Ge7",
"formula_reduced": "U3Co2Ge7",
"formula_anonymous": "A2B3C7",
"energy_above_hull": 3.035108454166667,
"spacegroup": 65
},
{
"id": "jvasp-30279",
"created_at": "2022-09-04T14:36:48.836866Z",
"updated_at": "2022-09-04T14:36:48.836892Z",
"structure_string": "Co3 Sb1 O8\n1.0\n1.676444 -2.552915 -4.992175\n1.676444 -5.607066 0.000000\n-3.035127 -3.961617 -2.423668\nCo Sb O\n3 1 8\ndirect\n0.500000 -0.000000 0.000001 Co\n-0.000000 0.500000 0.000001 Co\n0.500000 0.500000 0.000001 Co\n0.000000 0.000000 0.000000 Sb\n0.248546 0.248546 0.780183 O\n0.722726 0.248546 0.780183 O\n0.248545 0.722726 0.780183 O\n0.733695 0.733696 0.798915 O\n0.266305 0.266305 0.201088 O\n0.751454 0.277274 0.219820 O\n0.277273 0.751455 0.219820 O\n0.751454 0.751454 0.219820 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Co",
"Sb",
"O"
],
"chemical_system": "Co-O-Sb",
"density": 5.426744349427212,
"density_atomic": 0.09193834743289735,
"volume": 130.52225034562852,
"volume_molar": 6.550194699111114,
"formula_full": "Co3 Sb1 O8",
"formula_reduced": "Co3SbO8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 3.035177233333334,
"spacegroup": 166
},
{
"id": "jvasp-9814",
"created_at": "2022-09-04T14:38:30.549894Z",
"updated_at": "2022-09-04T14:38:30.549924Z",
"structure_string": "Zn2 Mo4 O8\n1.0\n5.374269 -0.000000 -2.821561\n-1.481354 5.166079 -2.821560\n-0.248002 -0.329112 6.056633\nZn Mo O\n2 4 8\ndirect\n0.375001 0.625000 0.750000 Zn\n0.625001 0.375000 0.250000 Zn\n0.000000 0.000000 0.500000 Mo\n0.000000 0.500000 0.000000 Mo\n0.500000 0.000000 0.500000 Mo\n0.000000 0.000000 0.000000 Mo\n0.752752 0.758071 0.505504 O\n0.752569 0.247250 0.994497 O\n0.241930 0.247250 0.994497 O\n0.247250 0.241930 0.494497 O\n0.247250 0.752568 0.494497 O\n0.247433 0.752751 0.005504 O\n0.752751 0.247432 0.505504 O\n0.758071 0.752751 0.005504 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zn",
"Mo",
"O"
],
"chemical_system": "Mo-O-Zn",
"density": 6.745824635470561,
"density_atomic": 0.08850980357656625,
"volume": 158.17456862718225,
"volume_molar": 6.803925120894082,
"formula_full": "Zn2 Mo4 O8",
"formula_reduced": "Zn(MoO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.035308028571428,
"spacegroup": 227
},
{
"id": "jvasp-59609",
"created_at": "2022-09-04T14:36:51.080533Z",
"updated_at": "2022-09-04T14:36:51.080553Z",
"structure_string": "Mn4 Co4 Si4\n1.0\n3.649415 -0.000000 0.000000\n-0.000000 5.730151 0.000000\n0.000000 0.000000 6.869125\nMn Co Si\n4 4 4\ndirect\n0.750001 0.970540 0.182328 Mn\n0.250000 0.029460 0.817672 Mn\n0.750001 0.470540 0.317672 Mn\n0.250000 0.529460 0.682329 Mn\n0.250000 0.656510 0.059054 Co\n0.750001 0.343490 0.940947 Co\n0.250000 0.156510 0.440946 Co\n0.750001 0.843490 0.559054 Co\n0.250000 0.265217 0.124387 Si\n0.750001 0.734783 0.875614 Si\n0.250000 0.765217 0.375614 Si\n0.750001 0.234783 0.624387 Si\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mn",
"Co",
"Si"
],
"chemical_system": "Co-Mn-Si",
"density": 6.564087586049752,
"density_atomic": 0.08353923755466819,
"volume": 143.64507447350334,
"volume_molar": 7.208757149667666,
"formula_full": "Mn4 Co4 Si4",
"formula_reduced": "MnCoSi",
"formula_anonymous": "ABC",
"energy_above_hull": 3.0353222471264365,
"spacegroup": 62
},
{
"id": "jvasp-100190",
"created_at": "2022-09-04T14:36:49.811141Z",
"updated_at": "2022-09-04T14:36:49.811149Z",
"structure_string": "La1 Pr1 Ir2\n1.0\n4.393488 0.000000 2.536582\n1.464496 4.142221 2.536582\n0.000000 0.000000 5.073164\nLa Pr Ir\n1 1 2\ndirect\n0.500001 0.500000 0.499999 La\n0.000000 0.000000 0.000000 Pr\n0.250000 0.250000 0.250000 Ir\n0.750001 0.750000 0.749999 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Pr",
"Ir"
],
"chemical_system": "Ir-La-Pr",
"density": 11.946953269569201,
"density_atomic": 0.043324980779653834,
"volume": 92.32548815990404,
"volume_molar": 13.899927135866387,
"formula_full": "La1 Pr1 Ir2",
"formula_reduced": "LaPrIr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.0353467625,
"spacegroup": 225
},
{
"id": "jvasp-105989",
"created_at": "2022-09-04T14:36:20.114683Z",
"updated_at": "2022-09-04T14:36:20.114694Z",
"structure_string": "Ta2 Zn1 S4\n1.0\n3.402930 -0.000000 0.000000\n-1.701465 2.947024 -0.000000\n0.000000 -0.000000 12.367526\nTa Zn S\n2 1 4\ndirect\n0.000000 0.000000 0.241206 Ta\n0.000000 0.000000 0.758794 Ta\n0.000000 0.000000 0.500000 Zn\n0.333334 0.666666 0.370609 S\n0.666667 0.333333 0.629391 S\n0.666667 0.333333 0.881575 S\n0.333334 0.666666 0.118425 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ta",
"Zn",
"S"
],
"chemical_system": "S-Ta-Zn",
"density": 7.438138614271586,
"density_atomic": 0.05643889727654821,
"volume": 124.02793707503348,
"volume_molar": 10.67019564626106,
"formula_full": "Ta2 Zn1 S4",
"formula_reduced": "Ta2ZnS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.035349828571428,
"spacegroup": 164
},
{
"id": "jvasp-112334",
"created_at": "2022-09-04T14:38:26.707892Z",
"updated_at": "2022-09-04T14:38:26.707932Z",
"structure_string": "Cd4 Mo6 O16\n1.0\n6.342020 0.000000 0.000000\n-3.171010 5.492351 0.000000\n-0.000000 -0.000000 10.084897\nCd Mo O\n4 6 16\ndirect\n0.666667 0.333333 0.967285 Cd\n0.333333 0.666667 0.467285 Cd\n0.666667 0.333333 0.355625 Cd\n0.333333 0.666667 0.855625 Cd\n0.676418 0.838209 0.143249 Mo\n0.323582 0.161791 0.643249 Mo\n0.161791 0.838209 0.143249 Mo\n0.838209 0.161791 0.643249 Mo\n0.838209 0.676418 0.643249 Mo\n0.161791 0.323582 0.143249 Mo\n0.836696 0.673391 0.227969 O\n0.000000 0.000000 0.535823 O\n0.000000 0.000000 0.035823 O\n0.326608 0.163304 0.227969 O\n0.836696 0.163304 0.227969 O\n0.673391 0.836696 0.727969 O\n0.163304 0.836696 0.727969 O\n0.475178 0.950355 0.030394 O\n0.049645 0.524822 0.030394 O\n0.475178 0.524822 0.030394 O\n0.950355 0.475178 0.530394 O\n0.666667 0.333333 0.745034 O\n0.524822 0.475178 0.530394 O\n0.524822 0.049645 0.530394 O\n0.163304 0.326608 0.727969 O\n0.333333 0.666667 0.245034 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Cd",
"Mo",
"O"
],
"chemical_system": "Cd-Mo-O",
"density": 6.0566696742391635,
"density_atomic": 0.07401436027443481,
"volume": 351.28318212297813,
"volume_molar": 8.136449112943422,
"formula_full": "Cd4 Mo6 O16",
"formula_reduced": "Cd2Mo3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 3.035504246153846,
"spacegroup": 186
},
{
"id": "jvasp-89420",
"created_at": "2022-09-04T14:36:20.048666Z",
"updated_at": "2022-09-04T14:36:20.048681Z",
"structure_string": "K6 U6 Si4 O26\n1.0\n9.617710 0.000000 0.000000\n-4.808855 8.329182 -0.000000\n0.000000 -0.000000 8.437848\nK U Si O\n6 6 4 26\ndirect\n0.959566 0.574138 0.750000 K\n0.040433 0.614570 0.250000 K\n0.425862 0.385430 0.750000 K\n0.385429 0.425862 0.250000 K\n0.614570 0.040433 0.750000 K\n0.574137 0.959566 0.250000 K\n0.755757 0.755757 0.000000 U\n1.000000 0.244243 0.000000 U\n0.244243 -0.000000 0.500000 U\n0.244243 -0.000000 0.000000 U\n0.755757 0.755757 0.500000 U\n1.000000 0.244243 0.500000 U\n0.666667 0.333333 0.446046 Si\n0.333333 0.666667 0.946046 Si\n0.666667 0.333333 0.053955 Si\n0.333333 0.666667 0.553955 Si\n0.176993 0.503494 0.489438 O\n0.194561 0.194561 0.500000 O\n0.743889 0.747401 0.750000 O\n0.503494 0.176993 0.989438 O\n0.673498 0.496505 0.510562 O\n0.003511 0.256111 0.750000 O\n0.252599 0.996488 0.750000 O\n0.823007 0.326502 0.510562 O\n0.194561 0.194561 0.000000 O\n0.747400 0.743889 0.250000 O\n0.176993 0.503494 0.010562 O\n0.496504 0.673498 0.489438 O\n0.256111 0.003512 0.250000 O\n0.496504 0.673498 0.010562 O\n0.823007 0.326502 0.989438 O\n0.673498 0.496505 0.989438 O\n1.000000 0.805438 0.500000 O\n0.503494 0.176993 0.510562 O\n0.805438 -0.000000 0.500000 O\n0.666667 0.333333 0.250000 O\n1.000000 0.805438 0.000000 O\n0.326502 0.823007 0.489438 O\n0.326502 0.823007 0.010562 O\n0.996488 0.252599 0.250000 O\n0.805438 -0.000000 0.000000 O\n0.333333 0.666667 0.750000 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"K",
"U",
"Si",
"O"
],
"chemical_system": "K-O-Si-U",
"density": 5.382741445801857,
"density_atomic": 0.062136038752758624,
"volume": 675.9362335136844,
"volume_molar": 9.691864626199134,
"formula_full": "K6 U6 Si4 O26",
"formula_reduced": "K3U3Si2O13",
"formula_anonymous": "A2B3C3D13",
"energy_above_hull": 3.035545461904762,
"spacegroup": 190
},
{
"id": "jvasp-61264",
"created_at": "2022-09-04T14:35:57.621291Z",
"updated_at": "2022-09-04T14:35:57.621324Z",
"structure_string": "Na2 Fe2 B2 P4 H6 O20\n1.0\n4.015786 5.205651 -0.022737\n-4.015786 5.205651 -0.022737\n0.000000 4.089496 8.005314\nNa Fe B P H O\n2 2 2 4 6 20\ndirect\n0.860885 0.139116 0.749999 Na\n0.139116 0.860884 0.249999 Na\n-0.000000 0.500000 -0.000000 Fe\n0.500001 0.000000 0.500000 Fe\n0.535862 0.464139 0.249999 B\n0.464139 0.535862 0.749999 B\n0.713253 0.840974 0.181826 P\n0.159026 0.286748 0.318173 P\n0.840974 0.713253 0.681825 P\n0.286748 0.159027 0.818173 P\n0.000000 0.500001 0.500000 H\n0.304530 0.687107 0.564853 H\n0.687106 0.304530 0.064854 H\n0.695470 0.312894 0.435145 H\n0.312894 0.695471 0.935145 H\n0.500000 -0.000000 -0.000000 H\n0.429400 0.702082 0.595702 O\n0.297918 0.570601 0.904296 O\n0.570600 0.297918 0.404297 O\n0.702082 0.429400 0.095702 O\n0.269772 0.079041 0.682568 O\n0.920960 0.730229 0.817430 O\n0.730229 0.920960 0.317430 O\n0.079040 0.269771 0.182569 O\n0.057423 0.280668 0.886147 O\n0.280668 0.057423 0.386147 O\n0.942577 0.719332 0.113852 O\n0.637390 0.038464 0.044204 O\n0.961536 0.362611 0.455795 O\n0.038464 0.637390 0.544204 O\n0.465005 0.315971 0.744214 O\n0.684030 0.534996 0.755784 O\n0.534996 0.684030 0.255784 O\n0.315971 0.465005 0.244215 O\n0.719333 0.942578 0.613852 O\n0.362611 0.961537 0.955795 O\n",
"nsites": 36,
"nelements": 6,
"elements": [
"Na",
"Fe",
"B",
"P",
"H",
"O"
],
"chemical_system": "B-Fe-H-Na-O-P",
"density": 3.114807650840284,
"density_atomic": 0.10731997946382703,
"volume": 335.44546113274333,
"volume_molar": 5.611388289568026,
"formula_full": "Na2 Fe2 B2 P4 H6 O20",
"formula_reduced": "NaFeBP2H3O10",
"formula_anonymous": "ABCD2E3F10",
"energy_above_hull": 3.0355923935185185,
"spacegroup": 15
},
{
"id": "jvasp-43293",
"created_at": "2022-09-04T14:36:31.859689Z",
"updated_at": "2022-09-04T14:36:31.859723Z",
"structure_string": "Li5 Ti6 Fe1 O16\n1.0\n0.000000 5.889091 0.030207\n5.945022 0.000000 0.000000\n0.000000 -0.090859 -8.389446\nLi Ti Fe O\n5 6 1 16\ndirect\n0.507810 0.500000 0.999348 Li\n0.760484 0.000000 0.882129 Li\n0.990366 0.000000 0.500477 Li\n0.264703 0.500000 0.378863 Li\n0.230937 0.000000 0.120214 Li\n0.747976 0.751288 0.241087 Ti\n0.474224 0.000000 0.492716 Ti\n0.747976 0.248712 0.241087 Ti\n0.248691 0.758391 0.753500 Ti\n0.011805 0.500000 0.010092 Ti\n0.248691 0.241609 0.753500 Ti\n0.738093 0.500000 0.616106 Fe\n0.735330 0.238950 0.491031 O\n0.538749 0.500000 0.248184 O\n0.986508 0.500000 0.240405 O\n0.515706 0.000000 0.260370 O\n0.959698 0.000000 0.259549 O\n0.735330 0.761049 0.491031 O\n0.262907 0.230459 0.517837 O\n0.241586 0.272722 0.978919 O\n0.035516 0.000000 0.748199 O\n0.479038 0.000000 0.740843 O\n0.478771 0.500000 0.747398 O\n0.012538 0.500000 0.753681 O\n0.771033 0.269923 0.018340 O\n0.241586 0.727278 0.978919 O\n0.262907 0.769541 0.517837 O\n0.771033 0.730077 0.018340 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O-Ti",
"density": 3.583034366029522,
"density_atomic": 0.09533385246322616,
"volume": 293.7046943613303,
"volume_molar": 6.316896468988249,
"formula_full": "Li5 Ti6 Fe1 O16",
"formula_reduced": "Li5Ti6FeO16",
"formula_anonymous": "AB5C6D16",
"energy_above_hull": 3.0356293392857143,
"spacegroup": 6
}
]
}