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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=3661",
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"results": [
{
"id": "jvasp-79329",
"created_at": "2022-09-04T14:37:12.878882Z",
"updated_at": "2022-09-04T14:37:12.878913Z",
"structure_string": "Sr2 Sb1 Au1\n1.0\n-0.000000 3.930798 3.930798\n3.930798 -0.000000 3.930798\n3.930798 3.930798 0.000000\nSr Sb Au\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.749999 0.749999 0.749999 Sb\n0.249999 0.249999 0.249999 Au\n",
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{
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"structure_string": "Sr8 Sb4 N12\n1.0\n6.538267 -0.015835 -0.000376\n-10.409610 5.284792 -0.000000\n0.000436 0.000859 12.413127\nSr Sb N\n8 4 12\ndirect\n0.499995 0.037571 0.855159 Sr\n0.500005 0.537576 0.644841 Sr\n0.500004 0.962428 0.144841 Sr\n0.499994 0.462423 0.355159 Sr\n0.500060 0.866824 0.575127 Sr\n0.499940 0.366764 0.924873 Sr\n0.499940 0.133175 0.424873 Sr\n0.500059 0.633234 0.075127 Sr\n0.499936 0.753687 0.340495 Sb\n0.500063 0.253750 0.159505 Sb\n0.500063 0.246312 0.659505 Sb\n0.499937 0.746249 0.840495 Sb\n0.000001 0.069351 0.750000 N\n0.000000 0.569437 0.750000 N\n-0.000000 0.430563 0.250000 N\n0.500193 0.075595 0.642164 N\n0.499807 0.575402 0.857836 N\n0.499806 0.924404 0.357836 N\n0.500192 0.424597 0.142164 N\n0.499922 0.153148 0.028190 N\n0.500077 0.653225 0.471810 N\n0.500078 0.846851 0.971810 N\n0.499922 0.346774 0.528190 N\n-0.000000 0.930649 0.250000 N\n",
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"elements": [
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"density_atomic": 0.056223287765694026,
"volume": 426.86938017602324,
"volume_molar": 10.711114556474856,
"formula_full": "Sr8 Sb4 N12",
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{
"id": "jvasp-98530",
"created_at": "2022-09-04T14:35:45.025281Z",
"updated_at": "2022-09-04T14:35:45.025307Z",
"structure_string": "Sr2 Sc2 B4 O11\n1.0\n5.114013 0.007506 0.055097\n1.594798 5.973182 1.327391\n-0.011479 0.034242 7.290310\nSr Sc B O\n2 2 4 11\ndirect\n0.774906 0.805763 0.836242 Sr\n0.225093 0.194236 0.163758 Sr\n0.813594 0.718208 0.352222 Sc\n0.186406 0.281792 0.647779 Sc\n0.277944 0.779573 0.608064 B\n0.647968 0.343096 0.898870 B\n0.352032 0.656904 0.101130 B\n0.722056 0.220427 0.391936 B\n0.910690 0.341899 0.867206 O\n0.175485 0.946857 0.706095 O\n0.889806 0.355758 0.420497 O\n0.489705 0.796203 0.151186 O\n0.089310 0.658100 0.132794 O\n0.538393 0.743540 0.555553 O\n0.461607 0.256460 0.444447 O\n0.824515 0.053143 0.293906 O\n0.110193 0.644242 0.579504 O\n0.500000 0.500000 0.000000 O\n0.510294 0.203797 0.848814 O\n",
"nsites": 19,
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"elements": [
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"density_atomic": 0.08543797396076973,
"volume": 222.38355053602007,
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"formula_full": "Sr2 Sc2 B4 O11",
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"formula_anonymous": "A2B2C4D11",
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"spacegroup": 2
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{
"id": "jvasp-71330",
"created_at": "2022-09-04T14:35:56.253333Z",
"updated_at": "2022-09-04T14:35:56.253356Z",
"structure_string": "Sr2 Sc1 Be1\n1.0\n3.587006 0.000000 -0.000000\n0.000000 3.587006 0.000000\n-0.000000 0.000000 9.544258\nSr Sc Be\n2 1 1\ndirect\n0.000000 0.000000 0.955814 Sr\n0.500001 0.500001 0.326846 Sr\n0.500001 0.500001 0.666104 Sc\n0.000000 0.000000 0.551236 Be\n",
"nsites": 4,
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"elements": [
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"density": 3.0993646140965208,
"density_atomic": 0.032572689128687556,
"volume": 122.80226493418695,
"volume_molar": 18.48831312701215,
"formula_full": "Sr2 Sc1 Be1",
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"spacegroup": 99
},
{
"id": "jvasp-108712",
"created_at": "2022-09-04T14:38:28.380921Z",
"updated_at": "2022-09-04T14:38:28.380949Z",
"structure_string": "Sr2 Sc1 Bi1 O6\n1.0\n5.092049 -0.000000 2.939896\n1.697350 4.800830 2.939896\n-0.000000 -0.000000 5.879791\nSr Sc Bi O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750001 Sr\n0.500000 0.500000 0.500001 Sc\n0.000000 0.000000 0.000000 Bi\n0.748042 0.251958 0.251959 O\n0.251958 0.748042 0.748042 O\n0.251958 0.748042 0.251959 O\n0.748042 0.251958 0.748042 O\n0.251958 0.251958 0.748042 O\n0.748042 0.748042 0.251959 O\n",
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"density": 6.067090296177708,
"density_atomic": 0.069571154298357,
"volume": 143.73773298506507,
"volume_molar": 8.656088605593567,
"formula_full": "Sr2 Sc1 Bi1 O6",
"formula_reduced": "Sr2ScBiO6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-21588",
"created_at": "2022-09-04T14:37:06.064445Z",
"updated_at": "2022-09-04T14:37:06.064463Z",
"structure_string": "Sr4 Sc2 Ir2 O12\n1.0\n0.000000 5.695163 0.005457\n5.669969 0.000000 0.000000\n0.000000 -5.675597 -8.033133\nSr Sc Ir O\n4 2 2 12\ndirect\n0.746585 0.481531 0.249577 Sr\n0.253413 0.518469 0.750422 Sr\n0.253414 0.981532 0.250423 Sr\n0.746584 0.018469 0.749577 Sr\n0.000000 0.500000 0.000000 Sc\n-0.000000 0.000000 0.500000 Sc\n0.500000 0.000000 -0.000000 Ir\n0.499999 0.500000 0.500000 Ir\n0.740743 0.719478 0.472603 O\n0.259256 0.219478 0.027397 O\n0.308783 0.730881 0.027417 O\n0.691216 0.230880 0.472582 O\n0.691215 0.269120 0.972582 O\n0.796562 0.005499 0.243829 O\n0.203436 0.994502 0.756170 O\n0.796562 0.494502 0.743829 O\n0.740742 0.780522 0.972603 O\n0.203436 0.505499 0.256170 O\n0.308782 0.769120 0.527417 O\n0.259255 0.280522 0.527397 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Ir-O-Sc-Sr",
"density": 6.513507185700465,
"density_atomic": 0.07715290849573397,
"volume": 259.22548339322634,
"volume_molar": 7.805461747865257,
"formula_full": "Sr4 Sc2 Ir2 O12",
"formula_reduced": "Sr2ScIrO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.199465997,
"spacegroup": 14
},
{
"id": "jvasp-100268",
"created_at": "2022-09-04T14:36:32.225380Z",
"updated_at": "2022-09-04T14:36:32.225416Z",
"structure_string": "Sr2 Sc1 Os1 O6\n1.0\n4.933932 0.000000 2.848608\n1.644644 4.651756 2.848608\n-0.000000 -0.000000 5.697214\nSr Sc Os O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.749999 0.750001 0.750000 Sr\n0.499999 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Os\n0.756197 0.243802 0.243802 O\n0.243801 0.756199 0.756198 O\n0.243801 0.756199 0.243802 O\n0.756197 0.243802 0.756198 O\n0.243802 0.243802 0.756198 O\n0.756197 0.756199 0.243803 O\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "O-Os-Sc-Sr",
"density": 6.431159934981424,
"density_atomic": 0.07647639030547813,
"volume": 130.75930963864653,
"volume_molar": 7.8745096832435415,
"formula_full": "Sr2 Sc1 Os1 O6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-4831",
"created_at": "2022-09-04T14:36:34.926942Z",
"updated_at": "2022-09-04T14:36:34.926963Z",
"structure_string": "Sr4 Si2\n1.0\n2.699244 -4.675229 0.000000\n2.699244 4.675229 0.000000\n0.000000 0.000000 7.437674\nSr Si\n4 2\ndirect\n0.666666 0.333332 0.250000 Sr\n0.333332 0.666666 0.750000 Sr\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.333332 0.666666 0.250000 Si\n0.666666 0.333332 0.750000 Si\n",
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"formula_full": "Sr4 Si2",
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"formula_anonymous": "AB2",
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},
{
"id": "jvasp-9075",
"created_at": "2022-09-04T14:37:27.746306Z",
"updated_at": "2022-09-04T14:37:27.746336Z",
"structure_string": "Sr8 Si4\n1.0\n5.129226 0.000000 0.000000\n0.000000 8.051020 0.000000\n0.000000 0.000000 9.564604\nSr Si\n8 4\ndirect\n0.750001 0.980907 0.824131 Sr\n0.250000 0.019093 0.175869 Sr\n0.750001 0.480907 0.675869 Sr\n0.250000 0.519093 0.324131 Sr\n0.250000 0.652236 0.922065 Sr\n0.750001 0.347764 0.077935 Sr\n0.250000 0.152236 0.577935 Sr\n0.750001 0.847764 0.422065 Sr\n0.250000 0.252087 0.897583 Si\n0.750001 0.747913 0.102417 Si\n0.250000 0.752087 0.602417 Si\n0.750001 0.247913 0.397583 Si\n",
"nsites": 12,
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"volume": 394.975115103684,
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"formula_full": "Sr8 Si4",
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},
{
"id": "jvasp-16900",
"created_at": "2022-09-04T14:37:54.053969Z",
"updated_at": "2022-09-04T14:37:54.053995Z",
"structure_string": "Sr4 Si2\n1.0\n2.699244 -4.675229 0.000000\n2.699244 4.675229 -0.000000\n0.000000 0.000000 7.437674\nSr Si\n4 2\ndirect\n0.666666 0.333332 0.250000 Sr\n0.333332 0.666666 0.750000 Sr\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.333332 0.666666 0.250000 Si\n0.666666 0.333332 0.750000 Si\n",
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},
{
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"created_at": "2022-09-04T14:37:55.993631Z",
"updated_at": "2022-09-04T14:37:55.993651Z",
"structure_string": "Sr4 Si10 N16\n1.0\n5.749045 0.000000 0.000000\n0.000000 6.867364 0.000000\n0.000000 0.000000 9.408426\nSr Si N\n4 10 16\ndirect\n0.500000 0.117160 0.867193 Sr\n0.000000 0.882840 0.367193 Sr\n0.500000 0.128392 0.500304 Sr\n0.000000 0.871607 0.000304 Sr\n0.252074 0.667103 0.683077 Si\n0.247926 0.332896 0.183077 Si\n0.747927 0.667103 0.683077 Si\n0.000000 0.054854 0.677356 Si\n0.752074 0.332896 0.183077 Si\n0.000000 0.419804 0.461027 Si\n0.500000 0.580195 0.961027 Si\n0.000000 0.401716 0.902180 Si\n0.500000 0.598283 0.402180 Si\n0.500000 0.945145 0.177356 Si\n0.250645 0.555740 0.511230 N\n0.248284 0.913473 0.671832 N\n0.251717 0.086526 0.171832 N\n0.751717 0.913473 0.671832 N\n0.748284 0.086526 0.171832 N\n0.249356 0.444259 0.011230 N\n0.750645 0.444259 0.011230 N\n0.500000 0.572941 0.771735 N\n0.000000 0.586592 0.773592 N\n0.500000 0.413407 0.273592 N\n0.000000 0.173725 0.838629 N\n0.500000 0.826274 0.338629 N\n0.000000 0.427058 0.271735 N\n0.000000 0.189499 0.521061 N\n0.749356 0.555740 0.511230 N\n0.500000 0.810501 0.021061 N\n",
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"volume": 371.45204096497935,
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"formula_full": "Sr4 Si10 N16",
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"formula_anonymous": "A2B5C8",
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},
{
"id": "jvasp-55258",
"created_at": "2022-09-04T14:38:36.394549Z",
"updated_at": "2022-09-04T14:38:36.394574Z",
"structure_string": "Sr8 Si4 O16\n1.0\n0.000000 5.712337 0.003258\n7.127290 0.000000 0.000000\n0.000000 -5.141627 -9.775975\nSr Si O\n8 4 16\ndirect\n0.027950 0.499856 0.801957 Sr\n0.972049 -0.000144 0.698043 Sr\n0.972049 0.500144 0.198043 Sr\n0.027951 0.000144 0.301957 Sr\n0.311795 0.157458 0.076408 Sr\n0.688205 0.657458 0.423592 Sr\n0.688205 0.842542 0.923592 Sr\n0.311794 0.342542 0.576408 Sr\n0.340515 0.779110 0.581482 Si\n0.659484 0.279110 0.918517 Si\n0.659485 0.220890 0.418518 Si\n0.340515 0.720890 0.081482 Si\n0.710908 0.505146 0.930910 O\n0.289091 0.005147 0.569089 O\n0.246436 0.680451 0.428925 O\n0.753564 0.180451 0.071075 O\n0.753563 0.319549 0.571074 O\n0.246436 0.819549 0.928925 O\n0.153973 0.676046 0.640656 O\n0.343896 0.267176 0.320125 O\n0.846026 0.323954 0.359343 O\n0.153974 0.823954 0.140656 O\n0.656103 0.732824 0.679874 O\n0.343896 0.232824 0.820125 O\n0.710908 0.994853 0.430910 O\n0.656104 0.767176 0.179874 O\n0.846026 0.176046 0.859343 O\n0.289092 0.494853 0.069089 O\n",
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"volume": 397.89459364414176,
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"formula_full": "Sr8 Si4 O16",
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"spacegroup": 14
}
]
}