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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=3832",
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{
"id": "jvasp-57638",
"created_at": "2022-09-04T14:38:36.694286Z",
"updated_at": "2022-09-04T14:38:36.694317Z",
"structure_string": "Ca4 Cd8\n1.0\n3.008589 -5.211028 0.000000\n3.008589 5.211028 -0.000000\n0.000000 -0.000000 9.578587\nCa Cd\n4 8\ndirect\n0.333333 0.666667 0.059836 Ca\n0.666667 0.333333 0.559836 Ca\n0.666667 0.333333 0.940165 Ca\n0.333333 0.666667 0.440164 Ca\n0.000000 0.000000 0.000000 Cd\n0.000000 0.000000 0.500000 Cd\n0.341753 0.170876 0.250000 Cd\n0.170876 0.341753 0.750000 Cd\n0.170876 0.829124 0.750000 Cd\n0.829124 0.170876 0.250000 Cd\n0.829124 0.658247 0.250000 Cd\n0.658247 0.829124 0.750000 Cd\n",
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{
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"structure_string": "Ca1 Cd1\n1.0\n3.800561 0.000000 0.000000\n-0.000000 3.800561 0.000000\n-0.000000 -0.000000 3.800561\nCa Cd\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Cd\n",
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"elements": [
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{
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"updated_at": "2022-09-04T14:38:52.226284Z",
"structure_string": "Ca1 C3\n1.0\n4.731413 -0.541143 -0.035440\n-2.389266 -2.967442 0.128146\n-0.020834 3.120038 -3.609384\nCa C\n1 3\ndirect\n0.992215 0.967511 -0.065326 Ca\n0.285304 0.054409 0.521664 C\n0.402765 0.877619 0.639001 C\n0.285278 0.465883 0.639155 C\n",
"nsites": 4,
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"elements": [
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"density": 2.35267195556819,
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"volume": 53.71925912310623,
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"formula_full": "Ca1 C3",
"formula_reduced": "CaC3",
"formula_anonymous": "AB3",
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"spacegroup": 155
},
{
"id": "jvasp-10723",
"created_at": "2022-09-04T14:38:03.810526Z",
"updated_at": "2022-09-04T14:38:03.810550Z",
"structure_string": "Ca2 C4 S4 N4\n1.0\n5.802483 0.029833 0.076542\n2.249011 5.348986 0.076542\n0.006243 0.004171 7.705466\nCa C S N\n2 4 4 4\ndirect\n0.413714 0.586285 0.750000 Ca\n0.586285 0.413715 0.250000 Ca\n0.747539 0.017607 0.899365 C\n0.017607 0.747540 0.399364 C\n0.252460 0.982393 0.100635 C\n0.982392 0.252460 0.600635 C\n0.860228 0.734331 0.826936 S\n0.265669 0.139771 0.673064 S\n0.139770 0.265669 0.173064 S\n0.734330 0.860230 0.326936 S\n0.659222 0.226972 0.950639 N\n0.226972 0.659223 0.450638 N\n0.773027 0.340777 0.549362 N\n0.340777 0.773028 0.049361 N\n",
"nsites": 14,
"nelements": 4,
"elements": [
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"N"
],
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"density": 2.174409804405528,
"density_atomic": 0.0586665199395144,
"volume": 238.63696047480062,
"volume_molar": 10.26503833227004,
"formula_full": "Ca2 C4 S4 N4",
"formula_reduced": "CaC2(SN)2",
"formula_anonymous": "AB2C2D2",
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"spacegroup": 15
},
{
"id": "jvasp-7816",
"created_at": "2022-09-04T14:36:39.640245Z",
"updated_at": "2022-09-04T14:36:39.640264Z",
"structure_string": "Ca2 C4\n1.0\n3.764017 0.006832 0.966895\n1.476924 3.462161 0.966895\n-0.043238 -0.028620 7.359972\nCa C\n2 4\ndirect\n0.824850 0.175151 0.249999 Ca\n0.175150 0.824848 0.749999 Ca\n0.141894 0.423071 0.439781 C\n0.576929 0.858105 0.060218 C\n0.423071 0.141894 0.939781 C\n0.858106 0.576928 0.560218 C\n",
"nsites": 6,
"nelements": 2,
"elements": [
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"density": 2.2164302830479823,
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"volume": 96.04593355334136,
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"formula_full": "Ca2 C4",
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"spacegroup": 15
},
{
"id": "jvasp-117965",
"created_at": "2022-09-04T14:38:30.036507Z",
"updated_at": "2022-09-04T14:38:30.036532Z",
"structure_string": "Ca1 C2\n1.0\n6.552533 -0.289124 -0.771441\n1.657417 -3.723034 -0.126232\n2.860314 -0.616423 -2.349916\nCa C\n1 2\ndirect\n0.036222 0.192383 0.590724 Ca\n0.665352 0.565344 0.441910 C\n0.407109 0.819356 0.739514 C\n",
"nsites": 3,
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"elements": [
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"density": 2.2006008464864806,
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"volume": 48.368407208223786,
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"formula_full": "Ca1 C2",
"formula_reduced": "CaC2",
"formula_anonymous": "AB2",
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"spacegroup": 12
},
{
"id": "jvasp-51697",
"created_at": "2022-09-04T14:38:19.433053Z",
"updated_at": "2022-09-04T14:38:19.433083Z",
"structure_string": "Ca4 C8\n1.0\n-4.068356 -0.152072 -0.110478\n-0.328102 -6.677201 -0.395799\n1.466479 2.673487 7.399049\nCa C\n4 8\ndirect\n0.750024 0.499970 0.250006 Ca\n0.249977 0.500029 0.749994 Ca\n0.749943 0.000031 0.749996 Ca\n0.250058 -0.000032 0.250004 Ca\n0.314589 0.249614 0.935697 C\n0.685412 0.750385 0.064303 C\n0.185356 0.250384 0.064295 C\n0.814644 0.749615 0.935705 C\n0.185250 0.750472 0.564290 C\n0.814750 0.249527 0.435710 C\n0.314728 0.749528 0.435715 C\n0.685273 0.250472 0.564285 C\n",
"nsites": 12,
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"elements": [
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"density": 2.1786151111256573,
"density_atomic": 0.06140428864667555,
"volume": 195.4260893575173,
"volume_molar": 9.807361819060894,
"formula_full": "Ca4 C8",
"formula_reduced": "CaC2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.3805768066666664,
"spacegroup": 71
},
{
"id": "jvasp-56582",
"created_at": "2022-09-04T14:38:27.078326Z",
"updated_at": "2022-09-04T14:38:27.078353Z",
"structure_string": "Ca4 C8\n1.0\n6.060389 0.000000 0.000000\n-0.000000 6.060389 0.000000\n-0.000000 -0.000000 6.060389\nCa C\n4 8\ndirect\n0.250000 0.250000 0.750000 Ca\n0.750000 0.750000 0.750000 Ca\n0.250000 0.750000 0.250000 Ca\n0.750000 0.250000 0.250000 Ca\n0.591082 0.408918 0.591082 C\n0.091082 0.908918 0.908918 C\n0.091082 0.091082 0.091082 C\n0.408918 0.591082 0.591082 C\n0.591082 0.591082 0.408918 C\n0.908918 0.908918 0.091082 C\n0.408918 0.408918 0.408918 C\n0.908918 0.091082 0.908918 C\n",
"nsites": 12,
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"elements": [
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"density": 1.9127647047922265,
"density_atomic": 0.05391129229134437,
"volume": 222.58787519227465,
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"formula_full": "Ca4 C8",
"formula_reduced": "CaC2",
"formula_anonymous": "AB2",
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"spacegroup": 224
},
{
"id": "jvasp-8004",
"created_at": "2022-09-04T14:37:01.439400Z",
"updated_at": "2022-09-04T14:37:01.439429Z",
"structure_string": "Ca1 C2\n1.0\n3.422761 0.000000 -1.778490\n-0.924116 3.295649 -1.778490\n0.008498 0.011209 4.199206\nCa C\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.598340 0.598341 0.196681 C\n0.401659 0.401660 0.803320 C\n",
"nsites": 3,
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"elements": [
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"density": 2.2406239565545807,
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"volume": 47.504427297694654,
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"formula_full": "Ca1 C2",
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},
{
"id": "jvasp-52602",
"created_at": "2022-09-04T14:37:05.057660Z",
"updated_at": "2022-09-04T14:37:05.057680Z",
"structure_string": "Ca2 C4\n1.0\n3.764497 0.000000 0.000000\n0.000000 4.869180 0.000000\n0.000000 0.000000 5.329022\nCa C\n2 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.000000 0.871313 0.500002 C\n0.500000 0.628687 0.000002 C\n0.500000 0.371313 -0.000002 C\n0.000000 0.128687 0.499998 C\n",
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"density": 2.1793288065549294,
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"volume": 97.6810452149064,
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"formula_full": "Ca2 C4",
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"spacegroup": 71
},
{
"id": "jvasp-36375",
"created_at": "2022-09-04T14:37:14.292514Z",
"updated_at": "2022-09-04T14:37:14.292538Z",
"structure_string": "Ca1 C2\n1.0\n1.382678 -2.394868 -0.000000\n1.382678 2.394868 0.000000\n0.000000 -0.000000 4.194984\nCa C\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333334 0.666668 0.500000 C\n0.666668 0.333334 0.500000 C\n",
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"volume": 27.781963615067074,
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"formula_full": "Ca1 C2",
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{
"id": "jvasp-8195",
"created_at": "2022-09-04T14:37:51.446730Z",
"updated_at": "2022-09-04T14:37:51.446753Z",
"structure_string": "Ca2 C4\n1.0\n3.812333 0.000000 0.000000\n-1.906167 3.403787 -1.074783\n0.000000 0.071092 7.414763\nCa C\n2 4\ndirect\n0.797280 0.594562 0.753334 Ca\n0.202719 0.405438 0.246666 Ca\n0.079449 0.158899 0.564612 C\n0.920550 0.841102 0.435388 C\n0.452280 0.904561 0.058886 C\n0.547719 0.095439 0.941114 C\n",
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}