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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=1566",
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"results": [
{
"id": "jvasp-3054",
"created_at": "2022-09-04T14:37:01.315317Z",
"updated_at": "2022-09-04T14:37:01.315349Z",
"structure_string": "Rb2 Ca2 As2\n1.0\n5.119587 0.000000 0.000000\n0.000000 5.119587 0.000000\n0.000000 0.000000 7.906596\nRb Ca As\n2 2 2\ndirect\n0.000000 0.500000 0.372560 Rb\n0.500000 0.000000 0.627441 Rb\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.187100 As\n0.000000 0.500000 0.812900 As\n",
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{
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"structure_string": "Rb4 C1 O4\n1.0\n5.607779 0.023875 -0.021370\n-0.021630 5.607787 -0.021264\n0.023770 0.024069 5.607780\nRb C O\n4 1 4\ndirect\n0.488538 0.488556 0.488564 Rb\n0.488370 0.920339 0.920260 Rb\n0.920339 0.920266 0.488380 Rb\n0.920245 0.488376 0.920360 Rb\n0.204597 0.204587 0.204580 C\n0.353670 0.353688 0.055394 O\n0.353691 0.055400 0.353657 O\n0.055411 0.353653 0.353675 O\n0.055540 0.055536 0.055534 O\n",
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{
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"structure_string": "Rb2 C4 O4\n1.0\n4.458250 0.047975 0.232598\n0.248007 5.718639 2.593878\n0.118032 -0.091164 6.282576\nRb C O\n2 4 4\ndirect\n0.697623 0.655995 0.655995 Rb\n0.302377 0.344006 0.344006 Rb\n0.104854 0.158356 0.943372 C\n0.895147 0.056633 0.841644 C\n0.895146 0.841644 0.056629 C\n0.104852 0.943367 0.158357 C\n0.227331 0.351001 0.872850 O\n0.227334 0.872850 0.351000 O\n0.772666 0.127150 0.649001 O\n0.772669 0.649000 0.127151 O\n",
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"volume": 161.00695706373912,
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"formula_full": "Rb2 C4 O4",
"formula_reduced": "Rb(CO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.1757393999999994,
"spacegroup": 12
},
{
"id": "jvasp-34285",
"created_at": "2022-09-04T14:37:02.252910Z",
"updated_at": "2022-09-04T14:37:02.252949Z",
"structure_string": "Rb4 C1 O4\n1.0\n5.600219 -0.004285 -0.014436\n0.005901 5.613400 -0.004708\n0.020368 0.004717 5.611556\nRb C O\n4 1 4\ndirect\n0.215759 0.284035 0.283998 Rb\n0.784311 0.284229 0.716288 Rb\n0.215474 0.716423 0.715957 Rb\n0.784485 0.716373 0.284060 Rb\n0.499994 -0.000243 -0.000069 C\n0.649409 0.850848 0.850829 O\n0.350636 0.850840 0.149006 O\n0.649198 0.148703 0.148886 O\n0.350737 0.148788 0.851043 O\n",
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"spacegroup": 215
},
{
"id": "jvasp-19100",
"created_at": "2022-09-04T14:37:03.321965Z",
"updated_at": "2022-09-04T14:37:03.321994Z",
"structure_string": "Rb8 C4 O12\n1.0\n0.000000 5.899613 0.162286\n10.220514 0.000000 0.000000\n0.000000 -0.964407 -7.065241\nRb C O\n8 4 12\ndirect\n0.265146 0.265166 0.030433 Rb\n0.734853 0.765166 0.469566 Rb\n0.734853 0.734834 0.969566 Rb\n0.265146 0.234834 0.530433 Rb\n0.240624 0.918050 0.208327 Rb\n0.759375 0.418051 0.291672 Rb\n0.759375 0.081949 0.791672 Rb\n0.240624 0.581949 0.708327 Rb\n0.754498 0.417373 0.749097 C\n0.754498 0.082627 0.249097 C\n0.245501 0.582627 0.250902 C\n0.245501 0.917373 0.750902 C\n0.735140 0.538003 0.688930 O\n0.068362 0.848487 0.779839 O\n0.931637 0.348487 0.720160 O\n0.931637 0.151513 0.220160 O\n0.068362 0.651512 0.279839 O\n0.402662 0.865907 0.665228 O\n0.402663 0.634093 0.165228 O\n0.597336 0.134093 0.334771 O\n0.597336 0.365907 0.834771 O\n0.264859 0.461997 0.311070 O\n0.735140 0.961996 0.188930 O\n0.264859 0.038003 0.811070 O\n",
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"formula_full": "Rb8 C4 O12",
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"spacegroup": 14
},
{
"id": "jvasp-34648",
"created_at": "2022-09-04T14:36:51.641497Z",
"updated_at": "2022-09-04T14:36:51.641517Z",
"structure_string": "Rb4 C4 O8\n1.0\n3.575016 0.000000 0.000000\n0.000000 6.324077 -0.000000\n0.000000 0.000000 11.322484\nRb C O\n4 4 8\ndirect\n0.500001 0.093528 0.151821 Rb\n0.500001 0.406472 0.651820 Rb\n0.500001 0.906473 0.848179 Rb\n0.500001 0.593528 0.348179 Rb\n0.000000 0.067587 0.440955 C\n0.000000 0.567588 0.059045 C\n0.000000 0.932413 0.559045 C\n0.000000 0.432413 0.940955 C\n0.000000 0.465708 0.155581 O\n0.000000 0.266852 0.451657 O\n0.000000 0.233148 0.951657 O\n0.000000 0.965709 0.344419 O\n0.000000 0.034292 0.655581 O\n0.000000 0.534292 0.844419 O\n0.000000 0.733148 0.548342 O\n0.000000 0.766852 0.048342 O\n",
"nsites": 16,
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"volume": 255.98637748215344,
"volume_molar": 9.63491248650014,
"formula_full": "Rb4 C4 O8",
"formula_reduced": "RbCO2",
"formula_anonymous": "ABC2",
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"spacegroup": 55
},
{
"id": "jvasp-88461",
"created_at": "2022-09-04T14:36:19.058542Z",
"updated_at": "2022-09-04T14:36:19.058560Z",
"structure_string": "Rb4 C1 O4\n1.0\n5.330043 0.000068 -2.100396\n-0.827734 5.265478 -2.100480\n-0.491883 -0.575361 6.564547\nRb C O\n4 1 4\ndirect\n0.557058 0.153353 0.710438 Rb\n0.442934 0.442923 0.289565 Rb\n0.846625 0.846628 0.289554 Rb\n0.153363 0.557065 0.710441 Rb\n0.000005 0.000008 -0.000002 C\n0.937883 0.225764 0.163645 O\n0.774246 0.774249 0.836356 O\n0.225764 0.937890 0.163647 O\n0.062126 0.062124 0.836358 O\n",
"nsites": 9,
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"volume": 171.35405445476388,
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"formula_full": "Rb4 C1 O4",
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"spacegroup": 121
},
{
"id": "jvasp-97865",
"created_at": "2022-09-04T14:35:59.076927Z",
"updated_at": "2022-09-04T14:35:59.076953Z",
"structure_string": "Rb8 C2 O8\n1.0\n5.905399 0.000000 0.000000\n0.000000 6.978609 0.035298\n0.000000 0.243642 8.315061\nRb C O\n8 2 8\ndirect\n0.736176 0.129267 0.400247 Rb\n0.230353 0.458275 0.397210 Rb\n0.715805 0.006040 0.833373 Rb\n0.911656 0.414150 0.965873 Rb\n0.215805 -0.006040 0.166627 Rb\n0.411656 0.585850 0.034128 Rb\n0.730353 0.541725 0.602790 Rb\n0.236176 0.870733 0.599753 Rb\n0.768544 0.709576 0.264830 C\n0.268544 0.290424 0.735170 C\n0.266614 0.499324 0.731877 O\n0.051221 0.225813 0.683080 O\n0.766614 0.500676 0.268123 O\n0.812636 0.781390 0.101695 O\n0.440286 0.224952 0.631147 O\n0.940286 0.775047 0.368853 O\n0.312636 0.218610 0.898305 O\n0.551221 0.774187 0.316920 O\n",
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"formula_full": "Rb8 C2 O8",
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},
{
"id": "jvasp-34260",
"created_at": "2022-09-04T14:37:08.562947Z",
"updated_at": "2022-09-04T14:37:08.562962Z",
"structure_string": "Rb4 C1 O4\n1.0\n5.476968 -0.780945 0.916131\n0.641518 5.495916 0.916595\n-1.013586 -0.780804 5.460026\nRb C O\n4 1 4\ndirect\n0.806520 0.374345 0.374338 Rb\n0.374364 0.806567 0.374376 Rb\n0.374396 0.374304 0.806531 Rb\n0.805836 0.805829 0.805813 Rb\n0.089395 0.089414 0.089406 C\n0.238863 0.940387 0.940383 O\n0.238269 0.238262 0.238275 O\n0.940351 0.238855 0.940351 O\n0.940344 0.940388 0.238871 O\n",
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"formula_full": "Rb4 C1 O4",
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},
{
"id": "jvasp-51902",
"created_at": "2022-09-04T14:37:12.246943Z",
"updated_at": "2022-09-04T14:37:12.246970Z",
"structure_string": "Rb4 C1 O4\n1.0\n5.820367 -1.070834 0.000000\n-1.602347 5.697004 0.000000\n0.000000 0.000000 5.963179\nRb C O\n4 1 4\ndirect\n-0.067324 0.067324 0.266003 Rb\n0.434615 0.063726 0.000000 Rb\n-0.063726 0.565385 0.000000 Rb\n-0.067324 0.067324 0.733997 Rb\n0.640932 0.359068 0.500000 C\n0.563438 0.436562 0.299548 O\n0.541514 0.087823 0.500000 O\n0.912178 0.458487 0.500000 O\n0.563438 0.436562 0.700452 O\n",
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"formula_full": "Rb4 C1 O4",
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},
{
"id": "jvasp-99281",
"created_at": "2022-09-04T14:38:13.856848Z",
"updated_at": "2022-09-04T14:38:13.856870Z",
"structure_string": "Rb8 C4 O12\n1.0\n6.038505 0.000000 0.000000\n-0.000000 6.990549 0.000000\n0.000000 0.000000 10.054353\nRb C O\n8 4 12\ndirect\n0.750001 0.763995 0.914330 Rb\n0.250000 0.736006 0.414330 Rb\n0.250000 0.562083 0.749697 Rb\n0.750001 0.263995 0.585669 Rb\n0.750001 0.937917 0.249697 Rb\n0.250000 0.062083 0.750303 Rb\n0.250000 0.236005 0.085669 Rb\n0.750001 0.437917 0.250303 Rb\n0.250000 0.724883 0.082214 C\n0.750001 0.275117 0.917786 C\n0.750001 0.775117 0.582214 C\n0.250000 0.224883 0.417786 C\n0.436342 0.674037 0.137125 O\n0.936342 0.325963 0.862875 O\n0.063659 0.174037 0.362875 O\n0.063659 0.674037 0.137125 O\n0.563659 0.825963 0.637125 O\n0.750001 0.174630 0.026935 O\n0.250000 0.825371 0.973065 O\n0.936342 0.825963 0.637125 O\n0.750001 0.674630 0.473065 O\n0.563659 0.325963 0.862875 O\n0.250000 0.325371 0.526935 O\n0.436342 0.174037 0.362875 O\n",
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"formula_full": "Rb8 C4 O12",
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},
{
"id": "jvasp-34245",
"created_at": "2022-09-04T14:37:13.363423Z",
"updated_at": "2022-09-04T14:37:13.363446Z",
"structure_string": "Rb4 C1 O4\n1.0\n4.907817 -0.000019 -2.194286\n-1.259181 5.424026 -2.816123\n0.023090 -0.137909 6.636952\nRb C O\n4 1 4\ndirect\n0.479548 0.377316 0.290096 Rb\n0.810533 0.912755 0.290091 Rb\n0.189454 0.622692 0.709909 Rb\n0.520429 0.087253 0.709900 Rb\n0.000007 0.499996 -0.000000 C\n0.765746 0.550658 0.836234 O\n0.929497 0.449335 0.163764 O\n0.234279 0.714419 0.163774 O\n0.070511 0.285576 0.836233 O\n",
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],
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"volume": 174.66407614933976,
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"formula_full": "Rb4 C1 O4",
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"spacegroup": 23
}
]
}