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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=1108",
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"results": [
{
"id": "jvasp-26821",
"created_at": "2022-09-04T14:38:28.995814Z",
"updated_at": "2022-09-04T14:38:28.995846Z",
"structure_string": "Pr6 Si4 S16 Cl2\n1.0\n7.718618 -0.000000 -0.000000\n-3.859309 7.758397 -1.041598\n-0.000000 -0.044327 11.024424\nPr Si S Cl\n6 4 16 2\ndirect\n0.314157 0.387523 0.184819 Pr\n0.624116 -0.000000 0.250000 Pr\n0.073366 0.387523 0.684819 Pr\n0.926634 0.612477 0.315181 Pr\n0.375884 -0.000000 0.750000 Pr\n0.685843 0.612477 0.815180 Pr\n0.372699 0.681129 0.472450 Si\n0.691569 0.318871 0.027550 Si\n0.308431 0.681129 0.972450 Si\n0.627301 0.318871 0.527550 Si\n0.554488 0.293241 0.337762 S\n0.275680 0.871042 0.454492 S\n0.404637 0.128958 0.045508 S\n0.445512 0.706759 0.662237 S\n0.604386 0.707745 0.359248 S\n0.142141 0.429911 0.415354 S\n0.896642 0.292257 0.140752 S\n0.857859 0.570089 0.584646 S\n0.261246 0.706759 0.162238 S\n0.595363 0.871042 0.954492 S\n0.287770 0.429911 0.915354 S\n0.103358 0.707744 0.859248 S\n0.712230 0.570089 0.084646 S\n0.395614 0.292256 0.640751 S\n0.724321 0.128958 0.545507 S\n0.738754 0.293241 0.837762 S\n0.000433 -0.000000 0.250000 Cl\n-0.000433 -0.000000 0.750000 Cl\n",
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"formula_full": "Pr6 Si4 S16 Cl2",
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{
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"structure_string": "Rb4 Mn2 Se4\n1.0\n6.099670 0.000000 -2.577445\n-1.330325 6.374009 -3.148289\n-0.031771 0.054387 8.431142\nRb Mn Se\n4 2 4\ndirect\n0.646992 0.811957 0.293985 Rb\n0.353009 0.188044 0.706016 Rb\n0.853009 0.517974 0.706016 Rb\n0.146992 0.482027 0.293985 Rb\n0.750000 -0.000000 0.000000 Mn\n0.250000 -0.000000 0.000000 Mn\n0.602283 0.291100 0.204566 Se\n0.897717 0.086534 0.795435 Se\n0.102284 0.913466 0.204566 Se\n0.397718 0.708900 0.795434 Se\n",
"nsites": 10,
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"density": 3.8800130824263497,
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"volume": 328.50628464210024,
"volume_molar": 19.78311086659354,
"formula_full": "Rb4 Mn2 Se4",
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"formula_anonymous": "AB2C2",
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"spacegroup": 72
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{
"id": "jvasp-36623",
"created_at": "2022-09-04T14:37:30.279662Z",
"updated_at": "2022-09-04T14:37:30.279679Z",
"structure_string": "Mg1 V1 O3\n1.0\n3.750238 0.000000 -0.000000\n0.000000 3.750238 -0.000000\n0.000000 0.000000 3.750238\nMg V O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 V\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"volume": 52.74441626225848,
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"formula_full": "Mg1 V1 O3",
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"spacegroup": 221
},
{
"id": "jvasp-8269",
"created_at": "2022-09-04T14:36:53.644628Z",
"updated_at": "2022-09-04T14:36:53.644638Z",
"structure_string": "V1 O2\n1.0\n5.124892 -0.468486 -0.277475\n4.564585 2.376673 -0.277475\n4.564585 0.898921 2.217544\nV O\n1 2\ndirect\n0.000000 0.000000 0.000000 V\n0.599036 0.599034 0.599038 O\n0.400963 0.400962 0.400964 O\n",
"nsites": 3,
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"elements": [
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"volume": 35.49552254827999,
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"formula_full": "V1 O2",
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},
{
"id": "jvasp-52142",
"created_at": "2022-09-04T14:37:13.801835Z",
"updated_at": "2022-09-04T14:37:13.801856Z",
"structure_string": "Li3 Mn3 O8\n1.0\n5.785373 0.043928 0.031062\n2.930729 4.988316 0.031062\n2.930729 1.692058 4.692676\nLi Mn O\n3 3 8\ndirect\n0.004545 0.004545 0.004545 Li\n0.245455 0.245455 0.245455 Li\n0.624999 0.625001 0.625000 Li\n0.125000 0.625001 0.625000 Mn\n0.624999 0.125001 0.625000 Mn\n0.625000 0.625001 0.125000 Mn\n0.385580 0.385581 0.385580 O\n0.375482 0.375483 0.834742 O\n0.375482 0.834743 0.375482 O\n0.834741 0.375483 0.375482 O\n0.415257 0.874519 0.874518 O\n0.874517 0.874519 0.415258 O\n0.874517 0.415259 0.874518 O\n0.864419 0.864421 0.864420 O\n",
"nsites": 14,
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"density": 3.880103152854771,
"density_atomic": 0.10430409957902037,
"volume": 134.22291220100755,
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"formula_full": "Li3 Mn3 O8",
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"formula_anonymous": "A3B3C8",
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"spacegroup": 166
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{
"id": "jvasp-101663",
"created_at": "2022-09-04T14:36:40.651595Z",
"updated_at": "2022-09-04T14:36:40.651623Z",
"structure_string": "Ba8 Pd2\n1.0\n8.018339 -0.000000 4.629390\n2.672780 7.559763 4.629390\n-0.000000 -0.000000 9.258781\nBa Pd\n8 2\ndirect\n0.380813 0.380813 0.380813 Ba\n0.380813 0.380813 0.857560 Ba\n0.380813 0.857560 0.380813 Ba\n0.869187 0.869186 0.392440 Ba\n0.869187 0.869186 0.869187 Ba\n0.857560 0.380813 0.380813 Ba\n0.869187 0.392440 0.869187 Ba\n0.392440 0.869186 0.869187 Ba\n0.000000 0.000000 0.000000 Pd\n0.250000 0.250000 0.250000 Pd\n",
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"elements": [
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"density": 3.8802205923851734,
"density_atomic": 0.01781778008203807,
"volume": 561.2371436821641,
"volume_molar": 33.798490789943365,
"formula_full": "Ba8 Pd2",
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"formula_anonymous": "AB4",
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"spacegroup": 227
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{
"id": "jvasp-22346",
"created_at": "2022-09-04T14:36:46.702551Z",
"updated_at": "2022-09-04T14:36:46.702562Z",
"structure_string": "V4 Ge1 S8\n1.0\n5.939037 0.000000 3.428904\n1.979679 5.599378 3.428904\n0.000000 -0.000000 6.857809\nV Ge S\n4 1 8\ndirect\n0.603668 0.188999 0.603667 V\n0.188999 0.603667 0.603667 V\n0.603668 0.603667 0.188998 V\n0.603668 0.603667 0.603666 V\n0.000000 0.000000 0.000000 Ge\n0.863469 0.409595 0.863468 S\n0.409595 0.863469 0.863468 S\n0.863469 0.863469 0.409593 S\n0.863469 0.863469 0.863467 S\n0.370366 0.888903 0.370365 S\n0.370366 0.370366 0.370365 S\n0.370366 0.370366 0.888902 S\n0.888904 0.370366 0.370365 S\n",
"nsites": 13,
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"elements": [
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],
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"density": 3.88038487844603,
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"volume": 228.05584248160022,
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"formula_full": "V4 Ge1 S8",
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"formula_anonymous": "AB4C8",
"energy_above_hull": 3.0828894423076925,
"spacegroup": 216
},
{
"id": "jvasp-47885",
"created_at": "2022-09-04T14:37:06.193566Z",
"updated_at": "2022-09-04T14:37:06.193580Z",
"structure_string": "Li4 Co4 Si4 O16\n1.0\n4.598137 0.000000 0.000000\n0.000000 5.885690 0.000000\n0.000000 0.000000 9.990649\nLi Co Si O\n4 4 4 16\ndirect\n0.019371 0.006527 0.220829 Li\n0.480629 0.006527 0.720829 Li\n0.519371 0.506527 0.279171 Li\n0.980630 0.506527 0.779171 Li\n-0.000002 0.256525 0.500002 Co\n0.500002 0.256525 0.000001 Co\n0.499998 0.756524 -0.000001 Co\n0.000002 0.756524 0.499999 Co\n0.922799 0.006529 0.912504 Si\n0.577202 0.006529 0.412504 Si\n0.422799 0.506529 0.587497 Si\n0.077202 0.506529 0.087497 Si\n0.778321 0.238887 0.852280 O\n0.782653 0.506531 0.581356 O\n0.717348 0.506531 0.081356 O\n0.721680 0.238887 0.352280 O\n0.721680 0.774172 0.352279 O\n0.760515 0.006531 0.561995 O\n0.239486 0.506531 0.438005 O\n0.221679 0.274172 0.147721 O\n0.278321 0.738887 0.647720 O\n0.282652 0.006531 0.918644 O\n0.217348 0.006531 0.418644 O\n0.221679 0.738887 0.147720 O\n0.778321 0.774172 0.852279 O\n0.260515 0.506531 0.938005 O\n0.278321 0.274172 0.647721 O\n0.739486 0.006531 0.061995 O\n",
"nsites": 28,
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"elements": [
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],
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"volume": 270.37902152831947,
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"formula_full": "Li4 Co4 Si4 O16",
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"spacegroup": 62
},
{
"id": "jvasp-67458",
"created_at": "2022-09-04T14:36:01.200094Z",
"updated_at": "2022-09-04T14:36:01.200113Z",
"structure_string": "Be1 P1 Se1\n1.0\n1.456116 -2.522067 -0.000000\n1.456116 2.522067 0.000000\n-0.000000 0.000000 6.930066\nBe P Se\n1 1 1\ndirect\n0.000000 -0.000000 0.993967 Be\n0.666668 0.333334 0.755235 P\n0.333334 0.666668 0.250799 Se\n",
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"formula_full": "Be1 P1 Se1",
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"spacegroup": 156
},
{
"id": "jvasp-11807",
"created_at": "2022-09-04T14:38:03.298444Z",
"updated_at": "2022-09-04T14:38:03.298478Z",
"structure_string": "Co2 S2 O8\n1.0\n4.730104 0.018998 -0.000000\n-1.836714 4.358983 0.000000\n0.000000 0.000000 6.422388\nCo S O\n2 2 8\ndirect\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.648201 0.351799 0.250000 S\n0.351799 0.648201 0.750000 S\n0.230568 0.303313 0.750000 O\n0.769431 0.696687 0.250000 O\n0.303313 0.230568 0.250000 O\n0.696687 0.769431 0.750000 O\n0.250414 0.749586 0.941644 O\n0.749586 0.250414 0.441644 O\n0.749586 0.250414 0.058356 O\n0.250414 0.749586 0.558356 O\n",
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"volume": 132.6437425322002,
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{
"id": "jvasp-99664",
"created_at": "2022-09-04T14:36:31.250604Z",
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"structure_string": "Na3 Al1 Si1 Te4\n1.0\n4.124676 0.255482 1.306255\n1.687279 9.072475 7.218391\n1.367083 2.454013 9.537767\nNa Al Si Te\n3 1 1 4\ndirect\n0.042667 0.577773 0.073955 Na\n0.246325 0.281222 0.666148 Na\n0.541616 0.801448 0.351710 Na\n0.527086 0.922803 0.744842 Al\n0.797868 0.315912 0.080426 Si\n0.299546 0.719166 0.175947 Te\n0.018054 0.151092 0.525801 Te\n0.488388 0.264460 -0.059084 Te\n0.788455 0.716125 0.690253 Te\n",
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],
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"volume": 271.46547736747914,
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{
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"structure_string": "Nb1 V1 F6\n1.0\n4.703919 0.149454 3.131815\n1.754331 4.367093 3.131816\n0.213705 0.149452 5.647075\nNb V F\n1 1 6\ndirect\n0.500000 0.499999 0.500001 Nb\n0.000000 0.000000 0.000000 V\n0.885679 0.248200 0.619769 F\n0.248201 0.619767 0.885680 F\n0.380231 0.114320 0.751799 F\n0.751799 0.380231 0.114322 F\n0.114321 0.751798 0.380233 F\n0.619769 0.885678 0.248203 F\n",
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"formula_full": "Nb1 V1 F6",
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"spacegroup": 148
}
]
}