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=density&page=471",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=469",
"results": [
{
"id": "jvasp-79573",
"created_at": "2022-09-04T14:37:13.454478Z",
"updated_at": "2022-09-04T14:37:13.454506Z",
"structure_string": "Na2 Ga2\n1.0\n2.866714 4.326299 0.000000\n-2.866714 4.326299 0.000000\n0.000000 0.000000 4.462634\nNa Ga\n2 2\ndirect\n0.319763 0.319763 0.250000 Na\n0.680238 0.680238 0.749999 Na\n0.946194 0.946194 0.250000 Ga\n0.053806 0.053806 0.749999 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"Ga"
],
"chemical_system": "Ga-Na",
"density": 2.7816115590152806,
"density_atomic": 0.03613581275569885,
"volume": 110.69351136620483,
"volume_molar": 16.665297666648634,
"formula_full": "Na2 Ga2",
"formula_reduced": "NaGa",
"formula_anonymous": "AB",
"energy_above_hull": 0.1956481818181818,
"spacegroup": 63
},
{
"id": "jvasp-53181",
"created_at": "2022-09-04T14:38:08.069308Z",
"updated_at": "2022-09-04T14:38:08.069342Z",
"structure_string": "Mg6 B2 H4 O10 F2\n1.0\n0.000000 8.985238 0.016138\n3.140403 0.000000 0.000000\n0.000000 -4.452039 -7.824499\nMg B H O F\n6 2 4 10 2\ndirect\n0.972565 0.500000 0.341679 Mg\n0.665224 0.500000 0.625470 Mg\n0.629347 0.000000 0.967716 Mg\n0.374258 0.500000 0.031966 Mg\n0.348672 0.000000 0.376730 Mg\n0.038311 0.000000 0.660193 Mg\n0.672717 0.000000 0.334414 B\n0.338553 0.500000 0.668676 B\n0.134428 0.000000 0.964063 H\n0.014166 0.000000 0.168175 H\n0.853541 0.500000 0.002039 H\n0.177243 0.500000 0.159078 H\n0.849781 0.000000 0.399561 O\n0.609623 0.000000 0.448890 O\n0.802728 0.500000 0.076014 O\n0.562122 0.000000 0.158309 O\n0.301487 0.500000 0.210781 O\n0.449899 0.500000 0.845410 O\n0.206080 0.000000 0.911051 O\n0.406888 0.500000 0.559357 O\n0.161231 0.500000 0.602445 O\n0.091161 0.000000 0.291587 O\n0.911671 0.500000 0.697799 F\n0.708306 0.000000 0.788593 F\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Mg",
"B",
"H",
"O",
"F"
],
"chemical_system": "B-F-H-Mg-O",
"density": 2.7816737002777105,
"density_atomic": 0.10881375077351857,
"volume": 220.5603595997056,
"volume_molar": 5.534356381606852,
"formula_full": "Mg6 B2 H4 O10 F2",
"formula_reduced": "Mg3BH2O5F",
"formula_anonymous": "ABC2D3E5",
"energy_above_hull": 1.7139764596527776,
"spacegroup": 6
},
{
"id": "jvasp-29289",
"created_at": "2022-09-04T14:38:01.092390Z",
"updated_at": "2022-09-04T14:38:01.092405Z",
"structure_string": "Zn1 C2 S2 O6 F6\n1.0\n10.744589 0.011857 0.007101\n9.613978 4.797683 0.007101\n9.613978 2.271221 4.226035\nZn C S O F\n1 2 2 6 6\ndirect\n0.000000 0.000000 0.000000 Zn\n0.778316 0.778315 0.778314 C\n0.221685 0.221685 0.221685 C\n0.281547 0.281547 0.281547 S\n0.718454 0.718453 0.718452 S\n0.266373 0.019205 0.593042 O\n0.593043 0.266373 0.019204 O\n0.406958 0.733628 0.980794 O\n0.733629 0.980796 0.406956 O\n0.980796 0.406957 0.733627 O\n0.019205 0.593043 0.266372 O\n0.059980 0.773748 0.544354 F\n0.544356 0.059980 0.773747 F\n0.773749 0.544355 0.059979 F\n0.226253 0.455645 0.940020 F\n0.455646 0.940021 0.226251 F\n0.940021 0.226252 0.455644 F\n",
"nsites": 17,
"nelements": 5,
"elements": [
"Zn",
"C",
"S",
"O",
"F"
],
"chemical_system": "C-F-O-S-Zn",
"density": 2.781676888651791,
"density_atomic": 0.0783331658688457,
"volume": 217.0217405544841,
"volume_molar": 7.687855703525316,
"formula_full": "Zn1 C2 S2 O6 F6",
"formula_reduced": "ZnC2S2(OF)6",
"formula_anonymous": "AB2C2D6E6",
"energy_above_hull": 1.967231358529412,
"spacegroup": 148
},
{
"id": "jvasp-57539",
"created_at": "2022-09-04T14:37:08.830257Z",
"updated_at": "2022-09-04T14:37:08.830267Z",
"structure_string": "Al6 F18\n1.0\n6.964331 0.016662 0.000000\n-3.466496 6.040330 0.000000\n0.000000 0.000000 7.138501\nAl F\n6 18\ndirect\n0.500000 0.500000 0.000000 Al\n-0.000000 0.500000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.500000 -0.000000 0.500000 Al\n0.500000 -0.000000 0.000000 Al\n-0.000000 0.500000 0.500000 Al\n0.420698 0.210743 0.466271 F\n0.214376 0.785623 0.461766 F\n0.789257 0.579301 0.033729 F\n0.214376 0.785623 0.038234 F\n0.785623 0.214377 0.961766 F\n0.554719 0.005170 0.250000 F\n0.785623 0.214377 0.538234 F\n0.789257 0.579301 0.466271 F\n0.005170 0.554719 0.750000 F\n0.420698 0.210743 0.033729 F\n0.529360 0.470640 0.750000 F\n0.994830 0.445280 0.250000 F\n0.579301 0.789257 0.966271 F\n0.210742 0.420698 0.966271 F\n0.470639 0.529360 0.250000 F\n0.445280 0.994830 0.750000 F\n0.579301 0.789257 0.533729 F\n0.210742 0.420698 0.533729 F\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Al",
"F"
],
"chemical_system": "Al-F",
"density": 2.782379849844911,
"density_atomic": 0.0798120121033417,
"volume": 300.7066150509333,
"volume_molar": 7.545406513749396,
"formula_full": "Al6 F18",
"formula_reduced": "AlF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0053999999999998,
"spacegroup": 63
},
{
"id": "jvasp-80742",
"created_at": "2022-09-04T14:37:05.475740Z",
"updated_at": "2022-09-04T14:37:05.475760Z",
"structure_string": "Mg3 Zn1\n1.0\n3.168908 -0.000000 -0.000000\n-1.584454 2.744356 0.000000\n0.000000 0.000000 9.492456\nMg Zn\n3 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666668 0.333334 0.728486 Mg\n0.666668 0.333334 0.271515 Mg\n0.000000 0.000000 0.500000 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 2.782389753488925,
"density_atomic": 0.048454187994802056,
"volume": 82.55220375231758,
"volume_molar": 12.428524776116415,
"formula_full": "Mg3 Zn1",
"formula_reduced": "Mg3Zn",
"formula_anonymous": "AB3",
"energy_above_hull": 0.155182794117647,
"spacegroup": 187
},
{
"id": "jvasp-76677",
"created_at": "2022-09-04T14:36:30.945744Z",
"updated_at": "2022-09-04T14:36:30.945768Z",
"structure_string": "Mg3 Zn1\n1.0\n3.168908 -0.000000 -0.000000\n-1.584454 2.744356 0.000000\n0.000000 0.000000 9.492456\nMg Zn\n3 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666668 0.333334 0.728486 Mg\n0.666668 0.333334 0.271515 Mg\n0.000000 0.000000 0.500000 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 2.782389753488925,
"density_atomic": 0.048454187994802056,
"volume": 82.55220375231758,
"volume_molar": 12.428524776116415,
"formula_full": "Mg3 Zn1",
"formula_reduced": "Mg3Zn",
"formula_anonymous": "AB3",
"energy_above_hull": 0.155182794117647,
"spacegroup": 187
},
{
"id": "jvasp-10207",
"created_at": "2022-09-04T14:37:31.680057Z",
"updated_at": "2022-09-04T14:37:31.680077Z",
"structure_string": "K2 Mg1 C2 O6\n1.0\n4.718054 -0.030555 4.367668\n1.889576 4.323247 4.367668\n-0.047033 -0.030555 6.429180\nK Mg C O\n2 1 2 6\ndirect\n0.789663 0.789666 0.789663 K\n0.210336 0.210337 0.210336 K\n0.000000 0.000000 0.000000 Mg\n0.595595 0.595597 0.595595 C\n0.404404 0.404406 0.404404 C\n0.694420 0.261277 0.261275 O\n0.261275 0.261277 0.694420 O\n0.261275 0.694422 0.261275 O\n0.738724 0.305581 0.738724 O\n0.738724 0.738726 0.305578 O\n0.305579 0.738726 0.738724 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
"K",
"Mg",
"C",
"O"
],
"chemical_system": "C-K-Mg-O",
"density": 2.7827930545851474,
"density_atomic": 0.08284315270982576,
"volume": 132.78104031759435,
"volume_molar": 7.269328318652621,
"formula_full": "K2 Mg1 C2 O6",
"formula_reduced": "K2Mg(CO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.43390055,
"spacegroup": 166
},
{
"id": "jvasp-44859",
"created_at": "2022-09-04T14:38:00.321415Z",
"updated_at": "2022-09-04T14:38:00.321446Z",
"structure_string": "Li8 Cr2 O10\n1.0\n4.322170 2.873436 0.000510\n-4.322170 2.873436 -0.000510\n-1.117570 0.000000 7.674763\nLi Cr O\n8 2 10\ndirect\n0.363194 0.966216 0.648184 Li\n0.033786 0.636807 0.148185 Li\n0.221660 0.437739 0.555103 Li\n0.562262 0.778341 0.055103 Li\n0.437739 0.221660 0.944896 Li\n0.778341 0.562262 0.444896 Li\n0.966216 0.363194 0.851815 Li\n0.636807 0.033786 0.351815 Li\n0.170161 0.170161 0.250000 Cr\n0.829840 0.829841 0.750000 Cr\n0.646882 0.014800 0.841156 O\n0.014800 0.646882 0.658843 O\n0.353120 0.985202 0.158844 O\n0.589232 0.768208 0.569814 O\n0.231794 0.410770 0.069815 O\n0.132376 0.132376 0.750000 O\n0.867626 0.867626 0.250000 O\n0.768208 0.589232 0.930185 O\n0.410770 0.231794 0.430185 O\n0.985202 0.353120 0.341156 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O",
"density": 2.783129774356492,
"density_atomic": 0.10491176454951844,
"volume": 190.63638940664262,
"volume_molar": 5.740195854924874,
"formula_full": "Li8 Cr2 O10",
"formula_reduced": "Li4CrO5",
"formula_anonymous": "AB4C5",
"energy_above_hull": 2.13556249,
"spacegroup": 15
},
{
"id": "jvasp-100081",
"created_at": "2022-09-04T14:36:49.253012Z",
"updated_at": "2022-09-04T14:36:49.253038Z",
"structure_string": "K3 Ta1 Cl6\n1.0\n6.542338 -0.000000 3.777221\n2.180780 6.168176 3.777221\n-0.000000 -0.000000 7.554441\nK Ta Cl\n3 1 6\ndirect\n0.750000 0.750001 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Ta\n0.769502 0.230498 0.230498 Cl\n0.230498 0.230498 0.769501 Cl\n0.230498 0.769502 0.769501 Cl\n0.230498 0.769502 0.230498 Cl\n0.769502 0.230498 0.769501 Cl\n0.769502 0.769502 0.230498 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Ta",
"Cl"
],
"chemical_system": "Cl-K-Ta",
"density": 2.783201149702585,
"density_atomic": 0.03280257457861048,
"volume": 304.8541197897522,
"volume_molar": 18.35874420639789,
"formula_full": "K3 Ta1 Cl6",
"formula_reduced": "K3TaCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.3822677605000008,
"spacegroup": 225
},
{
"id": "jvasp-103576",
"created_at": "2022-09-04T14:36:45.376997Z",
"updated_at": "2022-09-04T14:36:45.377022Z",
"structure_string": "Rb2 Na1 Y1 Cl6\n1.0\n6.475719 -0.000000 3.738758\n2.158573 6.105366 3.738758\n-0.000000 -0.000000 7.477516\nRb Na Y Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Y\n0.752940 0.247060 0.247060 Cl\n0.247060 0.247060 0.752941 Cl\n0.247059 0.752941 0.752941 Cl\n0.247059 0.752941 0.247060 Cl\n0.752940 0.247060 0.752941 Cl\n0.752940 0.752941 0.247060 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Y",
"Cl"
],
"chemical_system": "Cl-Na-Rb-Y",
"density": 2.7834206422282737,
"density_atomic": 0.03382540069770505,
"volume": 295.6358178686252,
"volume_molar": 17.803605089025844,
"formula_full": "Rb2 Na1 Y1 Cl6",
"formula_reduced": "Rb2NaYCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-37915",
"created_at": "2022-09-04T14:38:06.284589Z",
"updated_at": "2022-09-04T14:38:06.284619Z",
"structure_string": "B2 C2\n1.0\n1.300592 -2.252692 0.000000\n1.300592 2.252692 -0.000000\n-0.000000 0.000000 4.647008\nB C\n2 2\ndirect\n0.333332 0.666666 0.019395 B\n0.666666 0.333332 0.519395 B\n0.333332 0.666666 0.355606 C\n0.666666 0.333332 0.855606 C\n",
"nsites": 4,
"nelements": 2,
"elements": [
"B",
"C"
],
"chemical_system": "B-C",
"density": 2.783433016104886,
"density_atomic": 0.14689725502313705,
"volume": 27.229916579244314,
"volume_molar": 4.0995597630816745,
"formula_full": "B2 C2",
"formula_reduced": "BC",
"formula_anonymous": "AB",
"energy_above_hull": 3.7084962916666666,
"spacegroup": 186
},
{
"id": "jvasp-64278",
"created_at": "2022-09-04T14:36:01.943440Z",
"updated_at": "2022-09-04T14:36:01.943466Z",
"structure_string": "K1 Ba1 Zr1\n1.0\n0.000000 4.305853 4.305853\n4.305853 0.000000 4.305853\n4.305853 4.305853 0.000000\nK Ba Zr\n1 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.749999 0.749999 0.749999 Ba\n0.500000 0.500000 0.500000 Zr\n",
"nsites": 3,
"nelements": 3,
"elements": [
"K",
"Ba",
"Zr"
],
"chemical_system": "Ba-K-Zr",
"density": 2.7836050540637,
"density_atomic": 0.018789432434471568,
"volume": 159.66421606733178,
"volume_molar": 32.05067944975085,
"formula_full": "K1 Ba1 Zr1",
"formula_reduced": "KBaZr",
"formula_anonymous": "ABC",
"energy_above_hull": 1.38725949,
"spacegroup": 216
}
]
}