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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=3821",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=3819",
"results": [
{
"id": "jvasp-92850",
"created_at": "2022-09-04T14:35:43.240731Z",
"updated_at": "2022-09-04T14:35:43.240754Z",
"structure_string": "Ba1 Mg6 Ga1\n1.0\n6.718723 0.770933 0.000000\n-2.691714 6.204048 0.000000\n0.000000 0.000000 4.898525\nBa Mg Ga\n1 6 1\ndirect\n0.121166 0.378834 0.250000 Ba\n0.210097 0.904676 0.250000 Mg\n0.595324 0.289903 0.250000 Mg\n0.692929 0.807071 0.250000 Mg\n0.399169 0.719587 0.750001 Mg\n0.780413 0.100830 0.750001 Mg\n0.869193 0.630807 0.750001 Mg\n0.331709 0.168290 0.750001 Ga\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Mg",
"Ga"
],
"chemical_system": "Ba-Ga-Mg",
"density": 2.7336900304180047,
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"volume": 214.3516709289121,
"volume_molar": 16.13569918093886,
"formula_full": "Ba1 Mg6 Ga1",
"formula_reduced": "BaMg6Ga",
"formula_anonymous": "ABC6",
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"spacegroup": 38
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{
"id": "jvasp-78355",
"created_at": "2022-09-04T14:37:56.318323Z",
"updated_at": "2022-09-04T14:37:56.318347Z",
"structure_string": "Pb1 S1\n1.0\n-3.734257 0.000000 1.990140\n-2.397442 3.486774 0.000000\n-3.590441 0.098885 -2.238517\nPb S\n1 1\ndirect\n0.977916 0.977914 0.066255 Pb\n0.477684 0.477683 0.566947 S\n",
"nsites": 2,
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"elements": [
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"S"
],
"chemical_system": "Pb-S",
"density": 7.413930951922551,
"density_atomic": 0.03732074126414452,
"volume": 53.58950364475952,
"volume_molar": 16.136176710363742,
"formula_full": "Pb1 S1",
"formula_reduced": "PbS",
"formula_anonymous": "AB",
"energy_above_hull": 0.3972304099999999,
"spacegroup": 225
},
{
"id": "jvasp-254",
"created_at": "2022-09-04T14:37:16.895564Z",
"updated_at": "2022-09-04T14:37:16.895585Z",
"structure_string": "Pb1 S1\n1.0\n3.664950 0.000000 2.115960\n1.221650 3.455348 2.115960\n0.000000 0.000000 4.231920\nPb S\n1 1\ndirect\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pb",
"S"
],
"chemical_system": "Pb-S",
"density": 7.413631154735488,
"density_atomic": 0.03731923212502215,
"volume": 53.59167073159099,
"volume_molar": 16.136829235460656,
"formula_full": "Pb1 S1",
"formula_reduced": "PbS",
"formula_anonymous": "AB",
"energy_above_hull": 0.3972604099999999,
"spacegroup": 225
},
{
"id": "jvasp-1112",
"created_at": "2022-09-04T14:37:03.996668Z",
"updated_at": "2022-09-04T14:37:03.996696Z",
"structure_string": "Pb1 S1\n1.0\n3.664950 0.000000 2.115960\n1.221650 3.455348 2.115960\n0.000000 0.000000 4.231920\nPb S\n1 1\ndirect\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pb",
"S"
],
"chemical_system": "Pb-S",
"density": 7.413631154735488,
"density_atomic": 0.03731923212502215,
"volume": 53.59167073159099,
"volume_molar": 16.136829235460656,
"formula_full": "Pb1 S1",
"formula_reduced": "PbS",
"formula_anonymous": "AB",
"energy_above_hull": 0.3972604099999999,
"spacegroup": 225
},
{
"id": "jvasp-76235",
"created_at": "2022-09-04T14:37:05.328896Z",
"updated_at": "2022-09-04T14:37:05.328929Z",
"structure_string": "Tb16 Mg4 Ir4\n1.0\n8.390647 0.000000 4.844342\n2.796883 7.910778 4.844342\n-0.000000 0.000000 9.688685\nTb Mg Ir\n16 4 4\ndirect\n0.811952 0.811952 0.188048 Tb\n0.040562 0.653146 0.653146 Tb\n0.653146 0.040562 0.653146 Tb\n0.188048 0.811952 0.188048 Tb\n0.436438 0.436438 0.063562 Tb\n0.436438 0.063562 0.436438 Tb\n0.063562 0.436438 0.436438 Tb\n0.188048 0.811952 0.811951 Tb\n0.063562 0.063562 0.436438 Tb\n0.811952 0.188048 0.188048 Tb\n0.063562 0.436438 0.063562 Tb\n0.653146 0.653146 0.653146 Tb\n0.653146 0.653146 0.040562 Tb\n0.436438 0.063562 0.063562 Tb\n0.188048 0.188048 0.811951 Tb\n0.811952 0.188048 0.811951 Tb\n0.420209 0.739374 0.420208 Mg\n0.739374 0.420209 0.420208 Mg\n0.420209 0.420209 0.420208 Mg\n0.420209 0.420209 0.739373 Mg\n0.858576 0.858576 0.858575 Ir\n0.858576 0.424273 0.858575 Ir\n0.424273 0.858576 0.858576 Ir\n0.858576 0.858576 0.424273 Ir\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Tb",
"Mg",
"Ir"
],
"chemical_system": "Ir-Mg-Tb",
"density": 8.802034362882875,
"density_atomic": 0.0373191512408289,
"volume": 643.1014426111298,
"volume_molar": 16.136864209847023,
"formula_full": "Tb16 Mg4 Ir4",
"formula_reduced": "Tb4MgIr",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.6794656249999995,
"spacegroup": 216
},
{
"id": "jvasp-106741",
"created_at": "2022-09-04T14:36:53.044212Z",
"updated_at": "2022-09-04T14:36:53.044230Z",
"structure_string": "Sn4 Se2 S2\n1.0\n4.119707 0.000000 0.000000\n0.000000 4.491672 0.000000\n0.000000 0.000000 11.584746\nSn Se S\n4 2 2\ndirect\n-0.000000 0.109722 0.617735 Sn\n-0.000000 0.890278 0.117735 Sn\n0.500000 0.350242 0.376202 Sn\n0.500000 0.649757 0.876202 Sn\n-0.000000 0.773874 0.356492 Se\n-0.000000 0.226126 0.856492 Se\n0.500000 0.725673 0.649573 S\n0.500000 0.274326 0.149573 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sn",
"Se",
"S"
],
"chemical_system": "S-Se-Sn",
"density": 5.398243241916069,
"density_atomic": 0.03731892341204117,
"volume": 214.3684562298695,
"volume_molar": 16.136962724002164,
"formula_full": "Sn4 Se2 S2",
"formula_reduced": "Sn2SeS",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8973816916666666,
"spacegroup": 26
},
{
"id": "jvasp-10273",
"created_at": "2022-09-04T14:38:06.139499Z",
"updated_at": "2022-09-04T14:38:06.139525Z",
"structure_string": "K4 Mn2 S4\n1.0\n5.728395 0.000000 -2.455901\n-1.292526 5.979332 -3.014821\n-0.040034 0.042474 7.815321\nK Mn S\n4 2 4\ndirect\n0.352510 0.193983 0.705018 K\n0.147491 0.488964 0.294982 K\n0.647491 0.806017 0.294982 K\n0.852510 0.511035 0.705018 K\n0.250000 -0.000000 0.000000 Mn\n0.750001 -0.000000 0.000000 Mn\n0.396389 0.700833 0.792777 S\n0.103611 0.908055 0.207222 S\n0.603612 0.299166 0.207223 S\n0.896390 0.091945 0.792778 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Mn",
"S"
],
"chemical_system": "K-Mn-S",
"density": 2.444787476487936,
"density_atomic": 0.03731751910430641,
"volume": 267.97065399896877,
"volume_molar": 16.13756997931047,
"formula_full": "K4 Mn2 S4",
"formula_reduced": "K2MnS2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.1024746482758618,
"spacegroup": 72
},
{
"id": "jvasp-67773",
"created_at": "2022-09-04T14:36:03.696677Z",
"updated_at": "2022-09-04T14:36:03.696698Z",
"structure_string": "Ca1 Be1 Br1\n1.0\n-1.795226 1.795226 6.236544\n1.795226 -1.795226 6.236544\n1.795226 1.795226 -6.236544\nCa Be Br\n1 1 1\ndirect\n0.330268 0.330268 0.000000 Ca\n0.968439 0.968439 0.000000 Be\n0.701293 0.701293 0.000000 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Be",
"Br"
],
"chemical_system": "Be-Br-Ca",
"density": 2.6642622995005434,
"density_atomic": 0.03731461918499133,
"volume": 80.39744383098673,
"volume_molar": 16.13882411647986,
"formula_full": "Ca1 Be1 Br1",
"formula_reduced": "CaBeBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2963468749999999,
"spacegroup": 107
},
{
"id": "jvasp-53448",
"created_at": "2022-09-04T14:35:56.308951Z",
"updated_at": "2022-09-04T14:35:56.308961Z",
"structure_string": "Cu4 Si2 Te6\n1.0\n7.297056 -0.007658 0.001646\n2.391659 6.925971 -0.000299\n3.647010 -0.003060 6.361736\nCu Si Te\n4 2 6\ndirect\n0.987159 0.006737 0.003336 Cu\n0.341230 0.001175 0.326808 Cu\n0.157108 0.506693 0.663618 Cu\n0.834554 0.501170 0.340187 Cu\n0.681475 0.985723 0.663220 Si\n0.511220 0.485752 0.003731 Si\n0.370094 0.871292 0.001323 Te\n0.050758 0.879202 0.663284 Te\n0.880570 0.379229 0.003670 Te\n0.709004 0.872232 0.337123 Te\n0.537972 0.371269 0.665637 Te\n0.212671 0.372241 0.329822 Te\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Cu",
"Si",
"Te"
],
"chemical_system": "Cu-Si-Te",
"density": 5.55569010763015,
"density_atomic": 0.03731436484832588,
"volume": 321.5919672967014,
"volume_molar": 16.138934119550438,
"formula_full": "Cu4 Si2 Te6",
"formula_reduced": "Cu2SiTe3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.9200071333333332,
"spacegroup": 9
},
{
"id": "jvasp-102944",
"created_at": "2022-09-04T14:36:33.488041Z",
"updated_at": "2022-09-04T14:36:33.488066Z",
"structure_string": "In2 Hg6\n1.0\n6.677200 -0.000054 -0.000000\n-3.338646 5.782598 0.000000\n0.000000 0.000000 5.552941\nIn Hg\n2 6\ndirect\n0.333329 0.666668 0.750000 In\n0.666668 0.333330 0.250000 In\n0.165978 0.331947 0.250000 Hg\n0.668076 0.834031 0.250000 Hg\n0.165985 0.834029 0.250000 Hg\n0.834031 0.668077 0.750000 Hg\n0.331947 0.165979 0.750000 Hg\n0.834029 0.165986 0.750000 Hg\n",
"nsites": 8,
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"elements": [
"In",
"Hg"
],
"chemical_system": "Hg-In",
"density": 11.099673565695378,
"density_atomic": 0.03731226123003369,
"volume": 214.40673216450827,
"volume_molar": 16.139844012328602,
"formula_full": "In2 Hg6",
"formula_reduced": "InHg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-57098",
"created_at": "2022-09-04T14:37:04.111133Z",
"updated_at": "2022-09-04T14:37:04.111163Z",
"structure_string": "Na2 Cd1 Sn1 S4\n1.0\n5.630585 0.019669 -3.215232\n-1.857507 5.312405 -3.220397\n0.177698 0.257963 6.850640\nNa Cd Sn S\n2 1 1 4\ndirect\n0.514043 0.014043 0.028085 Na\n0.764116 0.764116 0.528232 Na\n0.014180 0.514181 0.028360 Cd\n0.264127 0.264127 0.528254 Sn\n0.925018 0.375761 0.279952 S\n0.624114 0.603192 0.776533 S\n0.152420 0.173340 0.776533 S\n0.354934 0.904192 0.279952 S\n",
"nsites": 8,
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"elements": [
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"Sn",
"S"
],
"chemical_system": "Cd-Na-S-Sn",
"density": 3.139415009871474,
"density_atomic": 0.03731196759743385,
"volume": 214.40841947317207,
"volume_molar": 16.13997102745709,
"formula_full": "Na2 Cd1 Sn1 S4",
"formula_reduced": "Na2CdSnS4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.57481368125,
"spacegroup": 82
},
{
"id": "jvasp-123710",
"created_at": "2022-09-04T14:38:55.053493Z",
"updated_at": "2022-09-04T14:38:55.053519Z",
"structure_string": "Sn1 Se2\n1.0\n1.946292 -3.372582 -0.027671\n1.947597 3.373336 -0.000000\n0.040508 -0.023388 6.121428\nSn Se\n1 2\ndirect\n0.000000 0.333356 0.166667 Sn\n0.666952 0.666799 0.428467 Se\n0.333048 -0.000154 0.904867 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
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"Se"
],
"chemical_system": "Se-Sn",
"density": 5.713125741465483,
"density_atomic": 0.03731183972082662,
"volume": 80.40343286330823,
"volume_molar": 16.14002634300173,
"formula_full": "Sn1 Se2",
"formula_reduced": "SnSe2",
"formula_anonymous": "AB2",
"energy_above_hull": null,
"spacegroup": 164
}
]
}