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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=3551",
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"results": [
{
"id": "jvasp-10668",
"created_at": "2022-09-04T14:37:15.828052Z",
"updated_at": "2022-09-04T14:37:15.828070Z",
"structure_string": "Pr2 Cd6 P6\n1.0\n2.159944 -3.741133 -0.000000\n2.159944 3.741133 0.000000\n-0.000000 0.000000 21.185603\nPr Cd P\n2 6 6\ndirect\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.333332 0.666666 0.250000 Cd\n0.666666 0.333332 0.750000 Cd\n0.666666 0.333332 0.373694 Cd\n0.333332 0.666666 0.873694 Cd\n0.333332 0.666666 0.626305 Cd\n0.666666 0.333332 0.126306 Cd\n0.666666 0.333332 0.250000 P\n0.333332 0.666666 0.750000 P\n0.666666 0.333332 0.922096 P\n0.333332 0.666666 0.422096 P\n0.333332 0.666666 0.077904 P\n0.666666 0.333332 0.577904 P\n",
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"formula_full": "Pr2 Cd6 P6",
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{
"id": "jvasp-2409",
"created_at": "2022-09-04T14:36:58.097838Z",
"updated_at": "2022-09-04T14:36:58.097866Z",
"structure_string": "Rb2 Hg1 O2\n1.0\n3.975126 -0.000000 -1.109566\n-0.309710 3.963042 -1.109566\n0.020729 0.022412 7.749681\nRb Hg O\n2 1 2\ndirect\n0.666995 0.666994 0.333987 Rb\n0.333006 0.333005 0.666012 Rb\n0.000000 0.000000 0.000000 Hg\n0.860782 0.860781 0.721563 O\n0.139219 0.139218 0.278436 O\n",
"nsites": 5,
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"O"
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"formula_full": "Rb2 Hg1 O2",
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"spacegroup": 139
},
{
"id": "jvasp-105737",
"created_at": "2022-09-04T14:36:15.249764Z",
"updated_at": "2022-09-04T14:36:15.249784Z",
"structure_string": "Dy1 Lu1 Hg2\n1.0\n4.479125 -0.000000 2.586024\n1.493042 4.222959 2.586024\n-0.000000 -0.000000 5.172048\nDy Lu Hg\n1 1 2\ndirect\n0.500000 0.500000 0.499999 Dy\n0.000000 0.000000 0.000000 Lu\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.749999 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Lu",
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],
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"density": 12.537572040041793,
"density_atomic": 0.04088720248771837,
"volume": 97.83012181382459,
"volume_molar": 14.728669103269956,
"formula_full": "Dy1 Lu1 Hg2",
"formula_reduced": "DyLuHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-105729",
"created_at": "2022-09-04T14:36:18.165605Z",
"updated_at": "2022-09-04T14:36:18.165631Z",
"structure_string": "Ca2 Cd6\n1.0\n6.682755 -0.000000 -0.000000\n-3.341376 5.787436 0.000000\n0.000000 -0.000000 5.059167\nCa Cd\n2 6\ndirect\n0.333333 0.666667 0.750001 Ca\n0.666666 0.333333 0.250000 Ca\n0.160354 0.320709 0.250000 Cd\n0.679290 0.839646 0.250000 Cd\n0.160354 0.839646 0.250000 Cd\n0.839645 0.679291 0.750001 Cd\n0.320709 0.160355 0.750001 Cd\n0.839645 0.160355 0.750001 Cd\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"Cd"
],
"chemical_system": "Ca-Cd",
"density": 6.404095555475433,
"density_atomic": 0.04088549222142068,
"volume": 195.66842822082128,
"volume_molar": 14.729285212921777,
"formula_full": "Ca2 Cd6",
"formula_reduced": "CaCd3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-91524",
"created_at": "2022-09-04T14:37:41.199800Z",
"updated_at": "2022-09-04T14:37:41.199811Z",
"structure_string": "Ho2 Ag2 Se4\n1.0\n5.645398 0.000000 0.000000\n0.000000 5.645398 0.000000\n-2.822699 -2.822699 6.139808\nHo Ag Se\n2 2 4\ndirect\n0.252205 0.752205 0.504410 Ho\n0.002205 0.002205 0.004410 Ho\n0.786528 0.286528 0.573055 Ag\n0.536528 0.536528 0.073055 Ag\n0.483172 0.983172 0.966343 Se\n0.233172 0.233172 0.466343 Se\n0.018095 0.518095 0.036191 Se\n0.768095 0.768095 0.536191 Se\n",
"nsites": 8,
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"elements": [
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"Ag",
"Se"
],
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"density": 7.310190903011303,
"density_atomic": 0.040883311556344476,
"volume": 195.67886493183354,
"volume_molar": 14.730070854706618,
"formula_full": "Ho2 Ag2 Se4",
"formula_reduced": "HoAgSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.67311489,
"spacegroup": 109
},
{
"id": "jvasp-18042",
"created_at": "2022-09-04T14:37:27.192683Z",
"updated_at": "2022-09-04T14:37:27.192713Z",
"structure_string": "Pt2 Pb4\n1.0\n5.611671 -0.026794 -1.476926\n-3.340150 4.509430 -1.476926\n0.013577 0.026794 5.802755\nPt Pb\n2 4\ndirect\n0.250000 0.250000 -0.000000 Pt\n0.750000 0.750001 -0.000001 Pt\n0.660558 0.160557 0.821115 Pb\n0.160558 0.339442 0.500000 Pb\n0.839443 0.660558 0.500000 Pb\n0.339443 0.839443 0.178884 Pb\n",
"nsites": 6,
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"elements": [
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"Pb"
],
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"density": 13.79153382429714,
"density_atomic": 0.04088108531885351,
"volume": 146.76714067649579,
"volume_molar": 14.730873001609654,
"formula_full": "Pt2 Pb4",
"formula_reduced": "PtPb2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.8744776799999999,
"spacegroup": 140
},
{
"id": "jvasp-65370",
"created_at": "2022-09-04T14:35:48.271028Z",
"updated_at": "2022-09-04T14:35:48.271051Z",
"structure_string": "Ba1 Sc2 Cu1\n1.0\n3.371508 -3.855671 0.000000\n3.371508 3.855671 0.000000\n0.000000 0.000000 3.763479\nBa Sc Cu\n1 2 1\ndirect\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.000000 Sc\n0.000000 0.500000 0.500000 Cu\n",
"nsites": 4,
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"elements": [
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"Sc",
"Cu"
],
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"density": 4.934886610958,
"density_atomic": 0.040880512823597066,
"volume": 97.8461306799243,
"volume_molar": 14.731079294396467,
"formula_full": "Ba1 Sc2 Cu1",
"formula_reduced": "BaSc2Cu",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.24901173,
"spacegroup": 65
},
{
"id": "jvasp-94727",
"created_at": "2022-09-04T14:36:19.552153Z",
"updated_at": "2022-09-04T14:36:19.552176Z",
"structure_string": "Ca1 Mg6 C1\n1.0\n10.003841 2.496855 0.000000\n-2.839580 4.918297 0.000000\n0.000000 0.000000 3.476441\nCa Mg C\n1 6 1\ndirect\n0.076301 0.288150 0.250000 Ca\n0.577785 0.284353 0.250000 Mg\n0.577785 0.793432 0.250000 Mg\n0.334986 0.149304 0.750000 Mg\n0.334986 0.685685 0.750000 Mg\n0.795891 0.147947 0.750000 Mg\n0.906474 0.703238 0.750000 Mg\n0.395793 0.947898 0.250000 C\n",
"nsites": 8,
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"elements": [
"Ca",
"Mg",
"C"
],
"chemical_system": "C-Ca-Mg",
"density": 1.679404472200331,
"density_atomic": 0.04087985674141533,
"volume": 195.6954020314658,
"volume_molar": 14.73131571397846,
"formula_full": "Ca1 Mg6 C1",
"formula_reduced": "CaMg6C",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.1028155899999999,
"spacegroup": 38
},
{
"id": "jvasp-8780",
"created_at": "2022-09-04T14:37:08.551100Z",
"updated_at": "2022-09-04T14:37:08.551121Z",
"structure_string": "Ag2 Sb2 Se4\n1.0\n8.213255 -0.000115 0.000701\n8.212989 7.081041 0.044182\n4.106726 4.740913 3.394462\nAg Sb Se\n2 2 4\ndirect\n0.505262 -0.000220 0.000166 Ag\n0.244738 0.500220 -0.000167 Ag\n0.006725 -0.000057 0.000064 Sb\n0.743275 0.500056 -0.000064 Sb\n0.276024 0.978416 0.521017 Se\n0.753797 0.021585 0.478963 Se\n0.473977 0.521584 0.478981 Se\n0.996204 0.478414 0.521035 Se\n",
"nsites": 8,
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"elements": [
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"Sb",
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],
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"density": 6.576582402470379,
"density_atomic": 0.040877604345577946,
"volume": 195.70618503883588,
"volume_molar": 14.732127423830947,
"formula_full": "Ag2 Sb2 Se4",
"formula_reduced": "AgSbSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9837175233333332,
"spacegroup": 15
},
{
"id": "jvasp-112562",
"created_at": "2022-09-04T14:38:41.502439Z",
"updated_at": "2022-09-04T14:38:41.502455Z",
"structure_string": "Rb4 Pd6 S8\n1.0\n13.374567 -0.085731 4.709317\n12.328629 5.189562 1.535395\n-0.001456 0.007343 6.244712\nRb Pd S\n4 6 8\ndirect\n0.078222 0.078222 0.921778 Rb\n0.921778 0.921778 0.078222 Rb\n0.171778 0.171778 0.328222 Rb\n0.328222 0.328222 0.171778 Rb\n0.999538 0.999537 0.500462 Pd\n0.250463 0.250462 0.749537 Pd\n0.500463 0.500462 0.999537 Pd\n0.750000 0.749999 0.749999 Pd\n0.500000 0.500000 0.500000 Pd\n0.749537 0.749537 0.250462 Pd\n0.972155 0.646427 0.859848 S\n0.603573 0.277846 0.728431 S\n0.728431 0.390151 0.603573 S\n0.277846 0.603573 0.390151 S\n0.390151 0.728431 0.277845 S\n0.646428 0.972154 0.521568 S\n0.521569 0.859848 0.646426 S\n0.859849 0.521568 0.972154 S\n",
"nsites": 18,
"nelements": 3,
"elements": [
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],
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"density": 4.664381309022204,
"density_atomic": 0.04087699218805155,
"volume": 440.34551067731076,
"volume_molar": 14.732348046293602,
"formula_full": "Rb4 Pd6 S8",
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"formula_anonymous": "A2B3C4",
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"spacegroup": 70
},
{
"id": "jvasp-93922",
"created_at": "2022-09-04T14:35:56.388037Z",
"updated_at": "2022-09-04T14:35:56.388064Z",
"structure_string": "Mg3 Sn3\n1.0\n3.546885 -0.000000 -0.000000\n-1.773443 3.071694 -0.000000\n-0.000000 -0.000000 13.474138\nMg Sn\n3 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666668 0.333333 0.333333 Mg\n0.333334 0.666666 0.666667 Mg\n0.333334 0.666666 0.166667 Sn\n0.000000 0.000000 0.500000 Sn\n0.666668 0.333333 0.833333 Sn\n",
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],
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"density": 4.8531743607116,
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"volume": 146.79999746082356,
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"formula_full": "Mg3 Sn3",
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"formula_anonymous": "AB",
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"spacegroup": 166
},
{
"id": "jvasp-18440",
"created_at": "2022-09-04T14:35:58.948345Z",
"updated_at": "2022-09-04T14:35:58.948371Z",
"structure_string": "Ba2 Li4 Si2\n1.0\n4.628886 0.000000 0.000000\n0.000000 6.316562 0.000000\n0.000000 0.000000 6.694380\nBa Li Si\n2 4 2\ndirect\n0.000000 0.903162 0.000000 Ba\n0.500000 0.096838 0.500000 Ba\n0.000000 0.410420 0.798758 Li\n0.500000 0.589580 0.701242 Li\n0.500000 0.589580 0.298758 Li\n0.000000 0.410420 0.201242 Li\n0.500000 0.310610 0.000000 Si\n0.000000 0.689390 0.500000 Si\n",
"nsites": 8,
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],
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"volume": 195.73460305934057,
"volume_molar": 14.734266640325947,
"formula_full": "Ba2 Li4 Si2",
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"formula_anonymous": "ABC2",
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"spacegroup": 59
}
]
}