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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=873",
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"results": [
{
"id": "jvasp-20949",
"created_at": "2022-09-04T14:38:31.318127Z",
"updated_at": "2022-09-04T14:38:31.318154Z",
"structure_string": "Sr6 Si6 O18\n1.0\n6.778771 0.000410 2.276118\n2.987896 6.084753 2.276118\n-0.020733 -0.012918 10.990346\nSr Si O\n6 6 18\ndirect\n0.327945 0.845136 0.500899 Sr\n0.672056 0.154864 0.499102 Sr\n0.845136 0.327944 0.000899 Sr\n0.500000 0.000000 0.000000 Sr\n0.000001 0.500000 0.500000 Sr\n0.154865 0.672056 0.999102 Sr\n0.581885 0.667904 0.753871 Si\n0.332096 0.418116 0.746130 Si\n0.418117 0.332095 0.246130 Si\n0.667905 0.581883 0.253871 Si\n0.833787 0.166213 0.750000 Si\n0.166214 0.833786 0.250000 Si\n0.181623 0.371680 0.884823 O\n0.628320 0.818377 0.615178 O\n0.719445 0.534713 0.396005 O\n0.632982 0.367018 0.250000 O\n0.534714 0.719444 0.896005 O\n0.371681 0.181622 0.384823 O\n0.818378 0.628319 0.115177 O\n0.797948 0.417151 0.751722 O\n0.582849 0.202052 0.748279 O\n0.202053 0.582849 0.248279 O\n0.417152 0.797947 0.251722 O\n0.983500 0.111345 0.610224 O\n0.888655 0.016500 0.889777 O\n0.016501 0.888654 0.389777 O\n0.111346 0.983500 0.110224 O\n0.367019 0.632982 0.750000 O\n0.280556 0.465286 0.603995 O\n0.465287 0.280555 0.103995 O\n",
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"elements": [
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"density": 3.5948829827972566,
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"volume": 453.70554284709084,
"volume_molar": 9.107595475391307,
"formula_full": "Sr6 Si6 O18",
"formula_reduced": "SrSiO3",
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{
"id": "jvasp-37464",
"created_at": "2022-09-04T14:38:03.575944Z",
"updated_at": "2022-09-04T14:38:03.575959Z",
"structure_string": "Sr6 Si2 O10\n1.0\n6.892087 0.000000 0.000000\n0.000000 6.892087 0.000000\n-3.446044 -3.446044 5.444493\nSr Si O\n6 2 10\ndirect\n0.000000 0.500000 0.000000 Sr\n0.500000 0.000000 0.000000 Sr\n0.568682 0.568682 0.500001 Sr\n0.931319 0.931319 0.500001 Sr\n0.068682 0.431319 0.500001 Sr\n0.431319 0.068682 0.500001 Sr\n1.000000 1.000000 0.999998 Si\n0.499999 0.499999 0.999998 Si\n0.726308 0.458557 0.184864 O\n0.458556 0.726308 0.184864 O\n0.226308 0.226308 0.184864 O\n0.958556 0.958557 0.184864 O\n0.750001 0.250001 0.500001 O\n0.773693 0.041443 0.815135 O\n0.250001 0.750001 0.500001 O\n0.541444 0.541444 0.815135 O\n0.041443 0.773692 0.815135 O\n0.273693 0.273692 0.815135 O\n",
"nsites": 18,
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"elements": [
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"density": 4.763506278769502,
"density_atomic": 0.06960069228688129,
"volume": 258.61811727112286,
"volume_molar": 8.652415029404938,
"formula_full": "Sr6 Si2 O10",
"formula_reduced": "Sr3SiO5",
"formula_anonymous": "AB3C5",
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"spacegroup": 140
},
{
"id": "jvasp-111853",
"created_at": "2022-09-04T14:38:41.652173Z",
"updated_at": "2022-09-04T14:38:41.652195Z",
"structure_string": "Sr6 Sc4 N8\n1.0\n7.285911 0.183323 -0.272547\n-6.010927 6.992506 -0.000001\n0.017314 0.014884 6.103301\nSr Sc N\n6 4 8\ndirect\n0.227906 0.973865 0.059777 Sr\n0.772093 0.745959 0.440222 Sr\n0.772093 0.026135 0.940222 Sr\n0.227905 0.254040 0.559777 Sr\n-0.000001 0.608473 0.750000 Sr\n-0.000000 0.391527 0.250000 Sr\n0.589257 0.410920 0.092581 Sc\n0.410742 0.821662 0.407419 Sc\n0.589256 0.178338 0.592581 Sc\n0.410742 0.589080 0.907418 Sc\n0.327761 0.739479 0.074460 N\n0.236744 0.934551 0.514107 N\n0.763254 0.697806 0.985892 N\n0.763255 0.065449 0.485892 N\n0.236744 0.302194 0.014107 N\n0.672238 0.260521 0.925540 N\n0.327760 0.588282 0.574460 N\n0.672238 0.411718 0.425540 N\n",
"nsites": 18,
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"elements": [
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"Sc",
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],
"chemical_system": "N-Sc-Sr",
"density": 4.273023256692267,
"density_atomic": 0.05665252136049855,
"volume": 317.7263706492444,
"volume_molar": 10.629960706742681,
"formula_full": "Sr6 Sc4 N8",
"formula_reduced": "Sr3Sc2N4",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 3.031383603333333,
"spacegroup": 15
},
{
"id": "jvasp-23306",
"created_at": "2022-09-04T14:37:50.019922Z",
"updated_at": "2022-09-04T14:37:50.019940Z",
"structure_string": "Sr6 Sc2 Ni2 O12\n1.0\n6.651092 -0.001916 -0.372556\n-0.393901 6.639418 -0.372556\n-0.001806 -0.001916 6.661518\nSr Sc Ni O\n6 2 2 12\ndirect\n0.878369 0.249999 0.621629 Sr\n0.621629 0.878370 0.250000 Sr\n0.249998 0.621629 0.878371 Sr\n0.750000 0.378371 0.121629 Sr\n0.378369 0.121628 0.750000 Sr\n0.121630 0.750000 0.378371 Sr\n0.250001 0.250000 0.250000 Sc\n0.749999 0.750000 0.749999 Sc\n0.000000 0.000000 0.000000 Ni\n0.500000 0.499999 0.500000 Ni\n0.093681 0.288082 0.965867 O\n0.788083 0.593681 0.465867 O\n0.534132 0.211917 0.406316 O\n0.406317 0.534132 0.211917 O\n0.211917 0.406317 0.534133 O\n0.711917 0.034131 0.906317 O\n0.906317 0.711916 0.034131 O\n0.034132 0.906318 0.711917 O\n0.465866 0.788083 0.593682 O\n0.593682 0.465866 0.788083 O\n0.965867 0.093682 0.288083 O\n0.288083 0.965867 0.093681 O\n",
"nsites": 22,
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"elements": [
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"chemical_system": "Ni-O-Sc-Sr",
"density": 5.221814810838383,
"density_atomic": 0.07479076108540607,
"volume": 294.15397945847167,
"volume_molar": 8.051984860968476,
"formula_full": "Sr6 Sc2 Ni2 O12",
"formula_reduced": "Sr3ScNiO6",
"formula_anonymous": "ABC3D6",
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"spacegroup": 167
},
{
"id": "jvasp-22930",
"created_at": "2022-09-04T14:37:35.272625Z",
"updated_at": "2022-09-04T14:37:35.272651Z",
"structure_string": "Sr6 Sc2 B6 O18\n1.0\n7.403650 0.010260 -1.982235\n-2.585256 6.937622 -1.982236\n0.007115 0.010261 7.664414\nSr Sc B O\n6 2 6 18\ndirect\n0.349052 0.739268 0.837995 Sr\n0.739268 0.837995 0.349052 Sr\n0.650948 0.260732 0.162005 Sr\n0.162004 0.650948 0.260731 Sr\n0.260732 0.162004 0.650948 Sr\n0.837996 0.349052 0.739268 Sr\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Sc\n0.039860 0.290508 0.369491 B\n0.290508 0.369491 0.039860 B\n0.369492 0.039860 0.290508 B\n0.709492 0.630508 0.960139 B\n0.630508 0.960139 0.709491 B\n0.960140 0.709491 0.630508 B\n0.920184 0.191774 0.444176 O\n0.261208 0.172789 0.984695 O\n0.984695 0.261207 0.172789 O\n0.738792 0.827211 0.015304 O\n0.827211 0.015304 0.738793 O\n0.191775 0.444175 0.920184 O\n0.015304 0.738792 0.827210 O\n0.785053 0.566927 0.508154 O\n0.566928 0.508154 0.785053 O\n0.491846 0.214946 0.433072 O\n0.172789 0.984695 0.261207 O\n0.433072 0.491846 0.214946 O\n0.079816 0.808226 0.555824 O\n0.808226 0.555824 0.079816 O\n0.555825 0.079816 0.808226 O\n0.444175 0.920184 0.191774 O\n0.508154 0.785053 0.566927 O\n0.214946 0.433072 0.491845 O\n",
"nsites": 32,
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"elements": [
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],
"chemical_system": "B-O-Sc-Sr",
"density": 4.07991954427723,
"density_atomic": 0.08118179943682004,
"volume": 394.17702270696884,
"volume_molar": 7.418092234684633,
"formula_full": "Sr6 Sc2 B6 O18",
"formula_reduced": "Sr3Sc(BO3)3",
"formula_anonymous": "AB3C3D9",
"energy_above_hull": 2.612307714375,
"spacegroup": 148
},
{
"id": "jvasp-116749",
"created_at": "2022-09-04T14:38:44.561896Z",
"updated_at": "2022-09-04T14:38:44.561916Z",
"structure_string": "Sr6 Sb6 N10\n1.0\n6.060395 -0.030765 -0.897955\n-0.842122 7.304043 -1.374948\n-0.423389 -0.110699 10.314583\nSr Sb N\n6 6 10\ndirect\n0.726914 0.374519 0.537661 Sr\n0.273087 0.625480 0.462339 Sr\n0.734297 0.891317 0.947292 Sr\n0.265704 0.108682 0.052708 Sr\n0.730227 0.811783 0.266651 Sr\n0.269774 0.188215 0.733349 Sr\n0.799910 0.282402 0.226426 Sb\n0.266213 0.081119 0.376016 Sb\n0.200091 0.717596 0.773574 Sb\n0.220456 0.601752 0.083276 Sb\n0.779545 0.398246 0.916724 Sb\n0.733788 0.918880 0.623984 Sb\n0.351968 0.776455 0.977826 N\n-0.000236 0.925074 0.788817 N\n0.000236 0.074926 0.211182 N\n0.709861 0.685250 0.481298 N\n0.290140 0.314749 0.518702 N\n0.882148 0.638247 0.062931 N\n0.117853 0.361752 0.937069 N\n0.444363 0.875986 0.705565 N\n0.555638 0.124013 0.294435 N\n0.648033 0.223543 0.022174 N\n",
"nsites": 22,
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"elements": [
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"density": 5.124051269396999,
"density_atomic": 0.048617619858204446,
"volume": 452.51083998278864,
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"formula_full": "Sr6 Sb6 N10",
"formula_reduced": "Sr3Sb3N5",
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"energy_above_hull": 3.142150316363636,
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},
{
"id": "jvasp-19091",
"created_at": "2022-09-04T14:37:03.453295Z",
"updated_at": "2022-09-04T14:37:03.453314Z",
"structure_string": "Sr6 Rh5 O15\n1.0\n7.097583 0.026862 0.511441\n0.477837 7.081530 0.511441\n0.028626 0.026862 7.115928\nSr Rh O\n6 5 15\ndirect\n0.144499 0.500000 0.855502 Sr\n0.500000 0.855501 0.144498 Sr\n0.855501 0.144498 0.500000 Sr\n0.320397 -0.000000 0.679604 Sr\n0.000000 0.679603 0.320396 Sr\n0.679603 0.320396 -0.000000 Sr\n0.500000 0.500000 0.500000 Rh\n0.708429 0.708428 0.708428 Rh\n0.096013 0.096013 0.096013 Rh\n0.903988 0.903987 0.903987 Rh\n0.291572 0.291572 0.291572 Rh\n0.208448 0.016851 0.348207 O\n0.791552 0.651793 0.983149 O\n0.563467 0.263901 0.349192 O\n0.348207 0.208448 0.016851 O\n0.016852 0.348207 0.208448 O\n0.165458 0.834542 -0.000000 O\n0.000001 0.165458 0.834542 O\n0.834542 -0.000000 0.165458 O\n0.436534 0.650808 0.736099 O\n0.736099 0.436533 0.650808 O\n0.650809 0.736099 0.436533 O\n0.349192 0.563467 0.263901 O\n0.263901 0.349191 0.563467 O\n0.983149 0.791552 0.651793 O\n0.651794 0.983148 0.791552 O\n",
"nsites": 26,
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"elements": [
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],
"chemical_system": "O-Rh-Sr",
"density": 5.94864084614267,
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"volume": 357.37340659823,
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"formula_full": "Sr6 Rh5 O15",
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"formula_anonymous": "A5B6C15",
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"spacegroup": 155
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{
"id": "jvasp-108669",
"created_at": "2022-09-04T14:38:26.854618Z",
"updated_at": "2022-09-04T14:38:26.854644Z",
"structure_string": "Sr6 Pm2\n1.0\n8.045114 -0.000000 0.000000\n-4.022557 6.967273 0.000000\n-0.000000 -0.000000 6.497429\nSr Pm\n6 2\ndirect\n0.171630 0.343260 0.250000 Sr\n0.656739 0.828370 0.250000 Sr\n0.171629 0.828370 0.250000 Sr\n0.828369 0.656740 0.750000 Sr\n0.343259 0.171630 0.750000 Sr\n0.828370 0.171630 0.750000 Sr\n0.333333 0.666666 0.750000 Pm\n0.666666 0.333333 0.250000 Pm\n",
"nsites": 8,
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],
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"volume": 364.19717511001335,
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"formula_full": "Sr6 Pm2",
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"spacegroup": 194
},
{
"id": "jvasp-11175",
"created_at": "2022-09-04T14:37:09.853283Z",
"updated_at": "2022-09-04T14:37:09.853309Z",
"structure_string": "Sr6 P8\n1.0\n5.543306 -0.000000 1.863191\n2.771654 7.170097 0.931596\n0.001963 -0.000000 9.171884\nSr P\n6 8\ndirect\n0.582065 0.996610 0.336158 Sr\n0.914833 0.003390 0.663842 Sr\n0.328674 0.503391 0.836158 Sr\n0.668223 0.496610 0.163842 Sr\n0.005493 0.500000 0.500000 Sr\n0.255494 0.000000 -0.000000 Sr\n0.422253 0.664282 0.498209 P\n0.584744 0.335719 0.501791 P\n0.836535 0.835719 0.998208 P\n0.670463 0.164282 0.001791 P\n0.338523 0.180821 0.655941 P\n0.175286 0.819179 0.344059 P\n0.744465 0.680821 0.844058 P\n0.269346 0.319179 0.155942 P\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "P-Sr",
"density": 3.5236591312002647,
"density_atomic": 0.03840668654950906,
"volume": 364.51985989348407,
"volume_molar": 15.679927900671714,
"formula_full": "Sr6 P8",
"formula_reduced": "Sr3P4",
"formula_anonymous": "A3B4",
"energy_above_hull": 1.5105558471428568,
"spacegroup": 43
},
{
"id": "jvasp-10190",
"created_at": "2022-09-04T14:37:11.095679Z",
"updated_at": "2022-09-04T14:37:11.095698Z",
"structure_string": "Sr6 P6\n1.0\n4.034277 -6.987572 -0.000000\n4.034277 6.987572 -0.000000\n0.000000 0.000000 6.046066\nSr P\n6 6\ndirect\n0.359544 0.000000 0.500000 Sr\n0.640457 0.640457 0.500000 Sr\n0.000000 0.359544 0.500000 Sr\n0.694410 0.000000 0.000000 Sr\n0.305590 0.305590 0.000000 Sr\n0.000000 0.694410 0.000000 Sr\n0.666667 0.333333 0.805556 P\n0.666667 0.333333 0.194445 P\n0.333333 0.666667 0.194445 P\n0.333333 0.666667 0.805556 P\n0.000000 0.000000 0.311455 P\n0.000000 0.000000 0.688546 P\n",
"nsites": 12,
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"elements": [
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],
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"density": 3.46630923471347,
"density_atomic": 0.0352035415426761,
"volume": 340.87479481156157,
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"formula_full": "Sr6 P6",
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"spacegroup": 189
},
{
"id": "jvasp-20215",
"created_at": "2022-09-04T14:38:34.468069Z",
"updated_at": "2022-09-04T14:38:34.468088Z",
"structure_string": "Sr6 P28\n1.0\n0.000000 6.376395 -0.011153\n12.764134 0.000000 0.000000\n0.000000 -6.347998 -9.745032\nSr P\n6 28\ndirect\n-0.000000 0.000000 0.500000 Sr\n0.000000 0.500000 0.000000 Sr\n0.184837 0.841981 0.880690 Sr\n0.815163 0.341981 0.619309 Sr\n0.815163 0.158018 0.119310 Sr\n0.184837 0.658018 0.380690 Sr\n0.584513 0.947023 0.178760 P\n0.248685 0.774665 0.635171 P\n0.751314 0.274665 0.864828 P\n0.751315 0.225335 0.364828 P\n0.248686 0.725335 0.135172 P\n0.264912 0.000270 0.185178 P\n0.264912 0.499729 0.685178 P\n0.415487 0.447024 0.321239 P\n0.735088 0.500270 0.314822 P\n0.029785 0.645874 0.643472 P\n0.970215 0.145874 0.856527 P\n0.735088 0.999729 0.814822 P\n0.415487 0.052976 0.821239 P\n0.368221 0.288813 0.227503 P\n0.631779 0.788813 0.272496 P\n0.970215 0.354126 0.356527 P\n0.368221 0.211187 0.727503 P\n0.631779 0.711187 0.772496 P\n0.291415 0.919038 0.364567 P\n0.708585 0.419038 0.135433 P\n0.708585 0.080962 0.635433 P\n0.291415 0.580962 0.864566 P\n0.621971 0.820126 0.457792 P\n0.378029 0.320127 0.042208 P\n0.378029 0.179873 0.542208 P\n0.621971 0.679873 0.957791 P\n0.584513 0.552976 0.678760 P\n0.029785 0.854126 0.143472 P\n",
"nsites": 34,
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"elements": [
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"volume": 794.0436615199077,
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"formula_full": "Sr6 P28",
"formula_reduced": "Sr3P14",
"formula_anonymous": "A3B14",
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"spacegroup": 14
},
{
"id": "jvasp-113138",
"created_at": "2022-09-04T14:38:45.933164Z",
"updated_at": "2022-09-04T14:38:45.933184Z",
"structure_string": "Sr6 Os6 N10\n1.0\n5.742002 0.017095 -1.542327\n-0.962355 6.609628 -2.517443\n-0.001609 0.013307 9.532106\nSr Os N\n6 6 10\ndirect\n0.820463 0.422961 0.618312 Sr\n0.179536 0.577041 0.381688 Sr\n0.659579 0.866702 0.893095 Sr\n0.340419 0.133299 0.106906 Sr\n0.663797 0.689675 0.211710 Sr\n0.336202 0.310326 0.788291 Sr\n0.903645 0.127767 0.291929 Os\n0.352043 0.088008 0.413551 Os\n0.096354 0.872235 0.708072 Os\n0.119045 0.676128 0.031469 Os\n0.880954 0.323874 0.968532 Os\n0.647956 0.911993 0.586449 Os\n0.129274 0.757628 0.864992 N\n0.898297 0.105949 0.780786 N\n0.101701 0.894053 0.219215 N\n0.826463 0.701452 0.497549 N\n0.173536 0.298550 0.502451 N\n0.728656 0.540679 0.922467 N\n0.271343 0.459323 0.077533 N\n0.361658 0.902670 0.642984 N\n0.638340 0.097331 0.357017 N\n0.870725 0.242374 0.135008 N\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sr",
"Os",
"N"
],
"chemical_system": "N-Os-Sr",
"density": 8.286957163336531,
"density_atomic": 0.060753372300007685,
"volume": 362.1198160220847,
"volume_molar": 9.912438654864989,
"formula_full": "Sr6 Os6 N10",
"formula_reduced": "Sr3Os3N5",
"formula_anonymous": "A3B3C5",
"energy_above_hull": 4.59234547090909,
"spacegroup": 2
}
]
}