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=-volume&page=337",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=335",
"results": [
{
"id": "jvasp-101796",
"created_at": "2022-09-04T14:36:41.723677Z",
"updated_at": "2022-09-04T14:36:41.723695Z",
"structure_string": "H12 C20 S2 O4\n1.0\n5.777655 0.219330 -1.336258\n-1.456056 7.145886 -0.889579\n-0.022333 -0.357288 9.799667\nH C S O\n12 20 2 4\ndirect\n0.018947 0.050356 0.307093 H\n0.069964 0.330251 0.498914 H\n0.296208 0.101822 0.148362 H\n0.796208 0.101822 0.648362 H\n0.346177 0.378652 0.343986 H\n0.846178 0.378652 0.843986 H\n0.569964 0.330251 -0.001086 H\n0.012944 0.449481 0.233298 H\n0.186527 0.654098 0.769381 H\n0.686527 0.654098 0.269380 H\n0.518947 0.050356 0.807094 H\n0.512944 0.449481 0.733298 H\n0.492676 0.306719 0.335188 C\n0.901336 0.278915 0.421530 C\n0.401336 0.278915 0.921531 C\n0.872610 0.123729 0.313350 C\n0.372611 0.123729 0.813350 C\n0.712355 0.370892 0.430517 C\n0.212356 0.370892 0.930518 C\n0.654960 0.064165 0.214346 C\n0.154960 0.064165 0.714346 C\n0.992676 0.306719 0.835188 C\n0.768559 0.793118 0.104423 C\n0.964339 0.152522 0.726148 C\n0.268559 0.793118 0.604423 C\n0.577257 0.606244 0.573249 C\n0.077256 0.606245 0.073249 C\n0.469301 0.559505 0.675079 C\n0.969301 0.559506 0.175079 C\n0.292759 0.667858 0.693790 C\n0.792759 0.667858 0.193789 C\n0.464338 0.152523 0.226148 C\n0.963766 0.785389 0.995225 S\n0.463766 0.785390 0.495225 S\n0.260285 0.532075 0.036528 O\n0.616362 0.918734 0.095985 O\n0.116362 0.918734 0.595985 O\n0.760286 0.532075 0.536528 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.559894213098736,
"density_atomic": 0.09383114906183164,
"volume": 404.9827842879687,
"volume_molar": 6.418061400944379,
"formula_full": "H12 C20 S2 O4",
"formula_reduced": "H6C10SO2",
"formula_anonymous": "AB2C6D10",
"energy_above_hull": 5.471179315789473,
"spacegroup": 1
},
{
"id": "jvasp-30464",
"created_at": "2022-09-04T14:38:05.448794Z",
"updated_at": "2022-09-04T14:38:05.448811Z",
"structure_string": "Tl2 I6 O18\n1.0\n4.961544 2.863398 4.753149\n-4.959622 2.862558 4.751594\n0.000232 -5.725651 4.752241\nTl I O\n2 6 18\ndirect\n0.825389 0.825495 0.825452 Tl\n0.174610 0.174506 0.174547 Tl\n0.289527 0.876328 0.587560 I\n0.587439 0.289659 0.876214 I\n0.876181 0.587229 0.289552 I\n0.710473 0.123671 0.412439 I\n0.412560 0.710342 0.123785 I\n0.123818 0.412772 0.710448 I\n0.930534 0.032732 0.301398 O\n0.967046 0.698728 0.069576 O\n0.698472 0.069541 0.967148 O\n0.069465 0.967269 0.698600 O\n0.912810 0.568789 0.680242 O\n0.568784 0.680093 0.912823 O\n0.680102 0.912798 0.568843 O\n0.087190 0.431211 0.319757 O\n0.578257 0.783822 0.258956 O\n0.319898 0.087202 0.431156 O\n0.258709 0.578497 0.784364 O\n0.301529 0.930458 0.032852 O\n0.783992 0.258976 0.578053 O\n0.741291 0.421503 0.215636 O\n0.421744 0.216179 0.741044 O\n0.216007 0.741024 0.421946 O\n0.431216 0.319908 0.087177 O\n0.032955 0.301273 0.930422 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Tl",
"I",
"O"
],
"chemical_system": "I-O-Tl",
"density": 5.979543942330371,
"density_atomic": 0.0642067067126227,
"volume": 404.94212102126926,
"volume_molar": 9.379301740165532,
"formula_full": "Tl2 I6 O18",
"formula_reduced": "Tl(IO3)3",
"formula_anonymous": "AB3C9",
"energy_above_hull": 1.8652756096153849,
"spacegroup": 148
},
{
"id": "jvasp-109024",
"created_at": "2022-09-04T14:37:47.521142Z",
"updated_at": "2022-09-04T14:37:47.521155Z",
"structure_string": "Ba6 Pr2\n1.0\n8.370566 -0.000000 0.000000\n-4.185283 7.249123 0.000000\n-0.000000 -0.000000 6.671152\nBa Pr\n6 2\ndirect\n0.171535 0.343069 0.250000 Ba\n0.656931 0.828465 0.250000 Ba\n0.171535 0.828465 0.250000 Ba\n0.828466 0.656931 0.750000 Ba\n0.343069 0.171535 0.750000 Ba\n0.828466 0.171535 0.750000 Ba\n0.333334 0.666666 0.750000 Pr\n0.666667 0.333333 0.250000 Pr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ba",
"Pr"
],
"chemical_system": "Ba-Pr",
"density": 4.5360270724936065,
"density_atomic": 0.019762817363798122,
"volume": 404.80058347624777,
"volume_molar": 30.472076167801177,
"formula_full": "Ba6 Pr2",
"formula_reduced": "Ba3Pr",
"formula_anonymous": "AB3",
"energy_above_hull": 0.26794694,
"spacegroup": 194
},
{
"id": "jvasp-59311",
"created_at": "2022-09-04T14:38:03.089708Z",
"updated_at": "2022-09-04T14:38:03.089722Z",
"structure_string": "Ba6 Ti6 O18\n1.0\n2.883550 -4.994454 0.000000\n2.883550 4.994454 -0.000000\n-0.000000 -0.000000 14.053758\nBa Ti O\n6 6 18\ndirect\n0.666667 0.333333 0.596632 Ba\n0.333333 0.666667 0.096632 Ba\n0.333333 0.666667 0.403368 Ba\n0.666667 0.333333 0.903368 Ba\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.666667 0.333333 0.153762 Ti\n0.333333 0.666667 0.846238 Ti\n0.666667 0.333333 0.346238 Ti\n0.333333 0.666667 0.653763 Ti\n0.834717 0.165283 0.419444 O\n0.482710 0.517290 0.750000 O\n0.517290 0.482710 0.250000 O\n0.965419 0.482710 0.250000 O\n0.482710 0.965419 0.750000 O\n0.165283 0.330566 0.919444 O\n0.330566 0.165283 0.419444 O\n0.165283 0.834717 0.919444 O\n0.165283 0.834717 0.580556 O\n0.834718 0.669434 0.080556 O\n0.330566 0.165283 0.080556 O\n0.834718 0.669434 0.419444 O\n0.834717 0.165283 0.080556 O\n0.034581 0.517290 0.750000 O\n0.165283 0.330566 0.580556 O\n0.669434 0.834718 0.580556 O\n0.669434 0.834718 0.919444 O\n0.517290 0.034581 0.250000 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"O"
],
"chemical_system": "Ba-O-Ti",
"density": 5.739530883429733,
"density_atomic": 0.07411110424861053,
"volume": 404.7976386826331,
"volume_molar": 8.125827864874791,
"formula_full": "Ba6 Ti6 O18",
"formula_reduced": "BaTiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.634128960666667,
"spacegroup": 194
},
{
"id": "jvasp-100094",
"created_at": "2022-09-04T14:36:38.404406Z",
"updated_at": "2022-09-04T14:36:38.404417Z",
"structure_string": "K2 Ga1 Hg1 I6\n1.0\n7.190597 -0.000000 4.151493\n2.396866 6.779360 4.151493\n-0.000000 -0.000000 8.302986\nK Ga Hg I\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Hg\n0.756842 0.243158 0.243158 I\n0.243158 0.243158 0.756842 I\n0.243159 0.756842 0.756842 I\n0.243159 0.756842 0.243157 I\n0.756842 0.243158 0.756842 I\n0.756843 0.756842 0.243157 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Ga",
"Hg",
"I"
],
"chemical_system": "Ga-Hg-I-K",
"density": 4.553645815861052,
"density_atomic": 0.02470654678019935,
"volume": 404.75101959673026,
"volume_molar": 24.374676127650282,
"formula_full": "K2 Ga1 Hg1 I6",
"formula_reduced": "K2GaHgI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-34169",
"created_at": "2022-09-04T14:37:28.445358Z",
"updated_at": "2022-09-04T14:37:28.445386Z",
"structure_string": "Er10 Bi2 Pt4\n1.0\n6.957132 0.000000 -3.435780\n-1.696760 6.747051 -3.435780\n-0.042054 -0.053939 8.676504\nEr Bi Pt\n10 2 4\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 -0.000000 Er\n0.290727 0.790726 0.272889 Er\n0.482162 0.290726 0.272889 Er\n0.790726 0.982162 0.272889 Er\n0.517838 0.709273 0.727111 Er\n0.209274 0.017838 0.727111 Er\n0.017838 0.517838 0.727111 Er\n0.709274 0.209273 0.727111 Er\n0.982162 0.482162 0.272889 Er\n0.250000 0.250000 0.500000 Bi\n0.750000 0.750000 0.500000 Bi\n0.358870 0.858870 -0.000000 Pt\n0.141130 0.358870 -0.000000 Pt\n0.858870 0.641130 -0.000000 Pt\n0.641129 0.141130 -0.000000 Pt\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Er",
"Bi",
"Pt"
],
"chemical_system": "Bi-Er-Pt",
"density": 11.779709890236365,
"density_atomic": 0.039535698082129915,
"volume": 404.69754617111414,
"volume_molar": 15.232159926681552,
"formula_full": "Er10 Bi2 Pt4",
"formula_reduced": "Er5BiPt2",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.7673658875,
"spacegroup": 140
},
{
"id": "jvasp-52109",
"created_at": "2022-09-04T14:38:33.237808Z",
"updated_at": "2022-09-04T14:38:33.237824Z",
"structure_string": "Er10 Bi2 Pt4\n1.0\n6.956881 0.000000 -3.435656\n-1.696699 6.746808 -3.435656\n-0.041829 -0.053651 8.676645\nEr Bi Pt\n10 2 4\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 -0.000000 Er\n0.290726 0.790726 0.272887 Er\n0.482162 0.290726 0.272888 Er\n0.790726 0.982162 0.272887 Er\n0.517838 0.709274 0.727111 Er\n0.209274 0.017838 0.727111 Er\n0.017838 0.517838 0.727111 Er\n0.709274 0.209274 0.727111 Er\n0.982162 0.482162 0.272887 Er\n0.250000 0.250000 0.499999 Bi\n0.750000 0.750000 0.499999 Bi\n0.358864 0.858865 -0.000001 Pt\n0.141135 0.358865 -0.000000 Pt\n0.858864 0.641136 -0.000001 Pt\n0.641135 0.141136 -0.000000 Pt\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Er",
"Bi",
"Pt"
],
"chemical_system": "Bi-Er-Pt",
"density": 11.779965447743018,
"density_atomic": 0.03953655579802613,
"volume": 404.68876656167413,
"volume_molar": 15.231829476407391,
"formula_full": "Er10 Bi2 Pt4",
"formula_reduced": "Er5BiPt2",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.7673658875,
"spacegroup": 140
},
{
"id": "jvasp-28934",
"created_at": "2022-09-04T14:37:53.091520Z",
"updated_at": "2022-09-04T14:37:53.091540Z",
"structure_string": "Te4 Mo2 W2 Se2 S2\n1.0\n3.414943 -0.000000 0.000010\n-1.707472 2.957360 0.000133\n0.000109 0.001880 40.068021\nTe Mo W Se S\n4 2 2 2 2\ndirect\n0.333367 0.666735 0.706208 Te\n0.666750 0.333500 0.420993 Te\n0.666699 0.333412 0.514471 Te\n0.333465 0.666932 0.612594 Te\n0.333405 0.666817 0.467815 Mo\n0.666654 0.333328 0.281744 Mo\n0.333196 0.666373 0.093956 W\n0.666721 0.333453 0.659541 W\n0.666539 0.333056 0.052956 Se\n0.666506 0.333006 0.135071 Se\n0.333325 0.666653 0.319140 S\n0.333372 0.666735 0.244258 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.3018743016963565,
"density_atomic": 0.029654847886015752,
"volume": 404.6555910900087,
"volume_molar": 20.307441073875285,
"formula_full": "Te4 Mo2 W2 Se2 S2",
"formula_reduced": "Te2MoWSeS",
"formula_anonymous": "ABCDE2",
"energy_above_hull": 3.4676408,
"spacegroup": 156
},
{
"id": "jvasp-119487",
"created_at": "2022-09-04T14:38:49.884998Z",
"updated_at": "2022-09-04T14:38:49.885023Z",
"structure_string": "Sb8 Cl2 O11\n1.0\n4.176857 0.046495 0.230259\n1.610475 8.657238 1.272040\n0.008385 0.094337 11.227260\nSb Cl O\n8 2 11\ndirect\n0.670999 0.519502 0.858238 Sb\n0.329004 0.480498 0.141762 Sb\n0.300082 0.042391 0.683700 Sb\n0.699921 0.957609 0.316300 Sb\n0.870050 0.850326 0.939593 Sb\n0.129953 0.149674 0.060407 Sb\n0.233858 0.449077 0.640816 Sb\n0.766145 0.550923 0.359184 Sb\n0.907704 0.193256 0.511258 Cl\n0.092299 0.806744 0.488742 Cl\n0.500000 -0.000000 0.000000 O\n0.434596 0.248852 0.142987 O\n0.565407 0.751148 0.857013 O\n0.085841 0.003291 0.211560 O\n0.714627 0.490484 0.684622 O\n0.822268 0.455247 0.199941 O\n0.177735 0.544753 0.800059 O\n0.285376 0.509516 0.315378 O\n0.286868 0.240856 0.744728 O\n0.914161 -0.003291 0.788440 O\n0.713135 0.759144 0.255272 O\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Sb",
"Cl",
"O"
],
"chemical_system": "Cl-O-Sb",
"density": 5.0104004309874695,
"density_atomic": 0.05189604919343994,
"volume": 404.655081193629,
"volume_molar": 11.604237419986964,
"formula_full": "Sb8 Cl2 O11",
"formula_reduced": "Sb8Cl2O11",
"formula_anonymous": "A2B8C11",
"energy_above_hull": 2.3266154969047617,
"spacegroup": 2
},
{
"id": "jvasp-92579",
"created_at": "2022-09-04T14:36:10.618250Z",
"updated_at": "2022-09-04T14:36:10.618279Z",
"structure_string": "K5\n1.0\n-4.268445 0.000000 -4.266322\n4.268445 0.000000 -4.266322\n0.000000 -11.109484 0.000000\nK\n5\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 -0.000000 0.308991 K\n-0.000000 0.500000 0.308991 K\n-0.000000 0.500000 0.691009 K\n0.500000 -0.000000 0.691009 K\n",
"nsites": 5,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.8022870321127312,
"density_atomic": 0.012357277526069332,
"volume": 404.6198678836686,
"volume_molar": 48.73355597376111,
"formula_full": "K5",
"formula_reduced": "K",
"formula_anonymous": "A",
"energy_above_hull": 0.1080999999999998,
"spacegroup": 123
},
{
"id": "jvasp-86296",
"created_at": "2022-09-04T14:35:47.651148Z",
"updated_at": "2022-09-04T14:35:47.651177Z",
"structure_string": "Zr10 Sb8\n1.0\n8.849279 0.000000 -0.000000\n-4.424639 7.663700 0.000000\n-0.000000 0.000000 5.965924\nZr Sb\n10 8\ndirect\n0.281833 0.281833 0.749999 Zr\n0.666667 0.333333 0.000000 Zr\n0.333333 0.666667 0.000000 Zr\n-0.000000 0.718167 0.749999 Zr\n0.666667 0.333333 0.500000 Zr\n0.281833 0.000000 0.250000 Zr\n-0.000000 0.281833 0.250000 Zr\n0.718167 0.000000 0.749999 Zr\n0.718167 0.718167 0.250000 Zr\n0.333333 0.666667 0.500000 Zr\n-0.000000 0.387810 0.749999 Sb\n0.000000 0.000000 0.500000 Sb\n0.612190 0.612190 0.749999 Sb\n0.387810 0.000000 0.749999 Sb\n0.000000 0.000000 0.000000 Sb\n0.612190 0.000000 0.250000 Sb\n0.387810 0.387810 0.250000 Sb\n-0.000000 0.612190 0.250000 Sb\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Zr",
"Sb"
],
"chemical_system": "Sb-Zr",
"density": 7.741771821000071,
"density_atomic": 0.04448856576676065,
"volume": 404.5983431870619,
"volume_molar": 13.536378744084855,
"formula_full": "Zr10 Sb8",
"formula_reduced": "Zr5Sb4",
"formula_anonymous": "A4B5",
"energy_above_hull": 3.6088018777777777,
"spacegroup": 193
},
{
"id": "jvasp-86899",
"created_at": "2022-09-04T14:35:43.900005Z",
"updated_at": "2022-09-04T14:35:43.900031Z",
"structure_string": "Zr10 Sb8\n1.0\n8.849291 -0.000000 0.000000\n-4.424646 7.663711 -0.000000\n-0.000000 -0.000000 5.965890\nZr Sb\n10 8\ndirect\n0.281833 0.281833 0.750000 Zr\n0.666667 0.333333 0.000000 Zr\n0.333333 0.666667 0.000000 Zr\n-0.000000 0.718167 0.750000 Zr\n0.666667 0.333333 0.500000 Zr\n0.281833 0.000000 0.250000 Zr\n-0.000000 0.281833 0.250000 Zr\n0.718167 0.000000 0.750000 Zr\n0.718167 0.718167 0.250000 Zr\n0.333333 0.666667 0.500000 Zr\n-0.000000 0.387810 0.750000 Sb\n0.000000 0.000000 0.500000 Sb\n0.612190 0.612190 0.750000 Sb\n0.387810 0.000000 0.750000 Sb\n0.000000 0.000000 0.000000 Sb\n0.612190 0.000000 0.250000 Sb\n0.387810 0.387810 0.250000 Sb\n-0.000000 0.612190 0.250000 Sb\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Zr",
"Sb"
],
"chemical_system": "Sb-Zr",
"density": 7.741794331557168,
"density_atomic": 0.04448869512505523,
"volume": 404.59716674995764,
"volume_molar": 13.536339384807981,
"formula_full": "Zr10 Sb8",
"formula_reduced": "Zr5Sb4",
"formula_anonymous": "A4B5",
"energy_above_hull": 3.6088018777777777,
"spacegroup": 193
}
]
}