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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=3400",
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"results": [
{
"id": "jvasp-5041",
"created_at": "2022-09-04T14:37:06.602649Z",
"updated_at": "2022-09-04T14:37:06.602676Z",
"structure_string": "Li1 Si3 Pd1\n1.0\n3.226915 -0.000000 -1.181126\n-0.432320 3.197824 -1.181126\n0.779840 0.892363 7.129209\nLi Si Pd\n1 3 1\ndirect\n0.603763 0.603762 0.207524 Li\n0.760782 0.260780 0.521561 Si\n0.260781 0.760780 0.521561 Si\n0.413150 0.413149 0.826299 Si\n0.982528 0.982524 0.965051 Pd\n",
"nsites": 5,
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"elements": [
"Li",
"Si",
"Pd"
],
"chemical_system": "Li-Pd-Si",
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"volume": 80.3693550874945,
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"formula_full": "Li1 Si3 Pd1",
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{
"id": "jvasp-13764",
"created_at": "2022-09-04T14:35:54.307575Z",
"updated_at": "2022-09-04T14:35:54.307597Z",
"structure_string": "Li1 Si3 Pd1\n1.0\n3.226920 -0.000000 -1.181128\n-0.432321 3.197829 -1.181128\n0.779890 0.892419 7.129352\nLi Si Pd\n1 3 1\ndirect\n0.603763 0.603763 0.207525 Li\n0.760783 0.260783 0.521566 Si\n0.260784 0.760784 0.521566 Si\n0.413150 0.413151 0.826300 Si\n0.982521 0.982522 0.965041 Pd\n",
"nsites": 5,
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"elements": [
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"Si",
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],
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"volume": 80.37151307479184,
"volume_molar": 9.680171296611535,
"formula_full": "Li1 Si3 Pd1",
"formula_reduced": "LiSi3Pd",
"formula_anonymous": "ABC3",
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"spacegroup": 107
},
{
"id": "jvasp-9380",
"created_at": "2022-09-04T14:38:11.055719Z",
"updated_at": "2022-09-04T14:38:11.055749Z",
"structure_string": "K4 Ag4 O4\n1.0\n5.078341 0.000000 1.974739\n2.539170 6.975382 0.987370\n0.011159 0.000000 7.488531\nK Ag O\n4 4 4\ndirect\n0.500000 0.320439 0.679561 K\n0.500000 0.679561 0.320439 K\n0.179561 0.320439 0.320439 K\n0.820439 0.679561 0.679561 K\n0.850188 0.000000 0.299625 Ag\n0.850188 0.299625 0.000000 Ag\n0.149812 0.000000 0.700375 Ag\n0.149812 0.700375 0.000000 Ag\n0.704391 0.295609 0.295609 O\n0.000000 0.295609 0.704390 O\n0.000000 0.704390 0.295609 O\n0.295609 0.704390 0.704391 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"Ag",
"O"
],
"chemical_system": "Ag-K-O",
"density": 4.08292183438724,
"density_atomic": 0.04526332810837316,
"volume": 265.11528209478143,
"volume_molar": 13.304679553349013,
"formula_full": "K4 Ag4 O4",
"formula_reduced": "KAgO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0439562533333334,
"spacegroup": 139
},
{
"id": "jvasp-107293",
"created_at": "2022-09-04T14:36:52.408072Z",
"updated_at": "2022-09-04T14:36:52.408090Z",
"structure_string": "Sc2 C1 O1\n1.0\n3.100552 0.001681 4.674821\n1.410617 2.761084 4.674821\n0.002744 0.001681 5.609577\nSc C O\n2 1 1\ndirect\n0.246695 0.246695 0.246696 Sc\n0.753305 0.753303 0.753306 Sc\n0.500000 0.499999 0.500001 C\n0.000000 0.000000 0.000000 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"C",
"O"
],
"chemical_system": "C-O-Sc",
"density": 4.082778002414563,
"density_atomic": 0.08340116238560993,
"volume": 47.96096224061934,
"volume_molar": 7.220691639951367,
"formula_full": "Sc2 C1 O1",
"formula_reduced": "Sc2CO",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.876691,
"spacegroup": 166
},
{
"id": "jvasp-118634",
"created_at": "2022-09-04T14:38:49.107678Z",
"updated_at": "2022-09-04T14:38:49.107689Z",
"structure_string": "Al1 N1\n1.0\n2.686150 -0.957798 0.225137\n-1.017479 -2.651300 0.347007\n-0.766939 1.512211 -2.301062\nAl N\n1 1\ndirect\n0.131144 -0.051909 0.171257 Al\n0.631174 0.448079 0.171274 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Al",
"N"
],
"chemical_system": "Al-N",
"density": 4.082617005793455,
"density_atomic": 0.11996658127463104,
"volume": 16.671309449266882,
"volume_molar": 5.019848607850163,
"formula_full": "Al1 N1",
"formula_reduced": "AlN",
"formula_anonymous": "AB",
"energy_above_hull": 1.5463630249999998,
"spacegroup": 225
},
{
"id": "jvasp-12274",
"created_at": "2022-09-04T14:36:43.530737Z",
"updated_at": "2022-09-04T14:36:43.530764Z",
"structure_string": "In2 Ga2 S6\n1.0\n3.730781 0.000000 -0.745961\n0.000000 6.220325 0.000000\n0.026595 0.000000 9.835389\nIn Ga S\n2 2 6\ndirect\n0.333921 0.503339 0.667841 In\n0.666080 0.003338 0.332159 In\n0.886270 0.056407 0.772538 Ga\n0.113731 0.556407 0.227462 Ga\n0.898763 0.695705 0.797525 S\n0.101238 0.195704 0.202475 S\n0.563525 0.708177 0.127050 S\n0.436476 0.208177 0.872950 S\n0.780003 0.242274 0.560004 S\n0.219998 0.742274 0.439996 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"In",
"Ga",
"S"
],
"chemical_system": "Ga-In-S",
"density": 4.082611778793598,
"density_atomic": 0.04378858217119543,
"volume": 228.3700340171804,
"volume_molar": 13.752764902174487,
"formula_full": "In2 Ga2 S6",
"formula_reduced": "InGaS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.877734459,
"spacegroup": 36
},
{
"id": "jvasp-64216",
"created_at": "2022-09-04T14:36:10.641557Z",
"updated_at": "2022-09-04T14:36:10.641581Z",
"structure_string": "Ba4 Be1 Zn1\n1.0\n0.000000 5.024530 5.024530\n5.024530 -0.000000 5.024530\n5.024530 5.024530 0.000000\nBa Be Zn\n4 1 1\ndirect\n0.125512 0.624830 0.624830 Ba\n0.624830 0.624830 0.624830 Ba\n0.624830 0.125512 0.624830 Ba\n0.624830 0.624830 0.125512 Ba\n0.250000 0.250000 0.250000 Be\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Be",
"Zn"
],
"chemical_system": "Ba-Be-Zn",
"density": 4.082524827414831,
"density_atomic": 0.023650205779901824,
"volume": 253.69758114742743,
"volume_molar": 25.46337573568884,
"formula_full": "Ba4 Be1 Zn1",
"formula_reduced": "Ba4BeZn",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0003383966666666,
"spacegroup": 216
},
{
"id": "jvasp-45057",
"created_at": "2022-09-04T14:38:05.556590Z",
"updated_at": "2022-09-04T14:38:05.556619Z",
"structure_string": "Li4 Mn1 Cr5 O12\n1.0\n2.507596 4.355804 0.040889\n-2.500777 4.339376 0.020445\n0.040008 0.069495 9.988542\nLi Mn Cr O\n4 1 5 12\ndirect\n0.148682 0.499325 0.746916 Li\n0.351992 0.499325 0.253085 Li\n0.648008 0.500674 0.746916 Li\n0.851317 0.500674 0.253085 Li\n0.000000 0.000000 0.000000 Mn\n0.160508 0.678984 0.500000 Cr\n0.663242 0.673517 0.000000 Cr\n0.336758 0.326483 0.000000 Cr\n0.839492 0.321015 0.500000 Cr\n0.500000 -0.000001 0.500000 Cr\n0.997757 0.334140 0.895012 O\n0.319800 -0.000000 0.099812 O\n0.668102 0.334141 0.104988 O\n0.834587 0.655456 0.607654 O\n0.162190 -0.000001 0.604797 O\n0.002243 0.665859 0.104989 O\n0.509955 0.655456 0.392346 O\n0.165413 0.344543 0.392346 O\n0.331898 0.665858 0.895012 O\n0.680200 -0.000002 0.900188 O\n0.490045 0.344543 0.607654 O\n0.837810 -0.000001 0.395203 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Li-Mn-O",
"density": 4.082454861100309,
"density_atomic": 0.10115906732608829,
"volume": 217.47926885370106,
"volume_molar": 5.953139860994871,
"formula_full": "Li4 Mn1 Cr5 O12",
"formula_reduced": "Li4MnCr5O12",
"formula_anonymous": "AB4C5D12",
"energy_above_hull": 3.362555738244514,
"spacegroup": 12
},
{
"id": "jvasp-119066",
"created_at": "2022-09-04T14:38:33.587836Z",
"updated_at": "2022-09-04T14:38:33.587856Z",
"structure_string": "Zn4 In1 S6\n1.0\n3.836820 -0.000000 0.000000\n-1.918409 3.322784 0.000000\n-0.000000 0.000000 18.148796\nZn In S\n4 1 6\ndirect\n0.333333 0.666666 0.208322 Zn\n0.666666 0.333333 0.791678 Zn\n0.333333 0.666666 0.616584 Zn\n0.666666 0.333333 0.383416 Zn\n0.000000 0.000000 0.000000 In\n0.333333 0.666666 0.078653 S\n0.666666 0.333333 0.921347 S\n0.333333 0.666666 0.749082 S\n0.666666 0.333333 0.250918 S\n0.333333 0.666666 0.423687 S\n0.666666 0.333333 0.576313 S\n",
"nsites": 11,
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"elements": [
"Zn",
"In",
"S"
],
"chemical_system": "In-S-Zn",
"density": 4.0824504687456535,
"density_atomic": 0.04754133033786315,
"volume": 231.3776228352473,
"volume_molar": 12.66716921298227,
"formula_full": "Zn4 In1 S6",
"formula_reduced": "Zn4InS6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.4662219272727274,
"spacegroup": 164
},
{
"id": "jvasp-34410",
"created_at": "2022-09-04T14:38:08.547384Z",
"updated_at": "2022-09-04T14:38:08.547411Z",
"structure_string": "Na8 Zn8 O12\n1.0\n6.232672 -0.000000 0.000000\n0.000000 6.232672 0.000000\n0.000000 -0.000000 9.415318\nNa Zn O\n8 8 12\ndirect\n0.746394 0.529728 0.644850 Na\n0.970272 0.246394 0.394850 Na\n0.470272 0.253606 0.855150 Na\n0.253606 0.470272 0.144850 Na\n0.029728 0.753605 0.894850 Na\n0.753605 0.029728 0.105150 Na\n0.529728 0.746394 0.355150 Na\n0.246394 0.970272 0.605150 Na\n0.745027 0.541514 0.114840 Zn\n0.958486 0.245027 0.864840 Zn\n0.245027 0.958486 0.135160 Zn\n0.541514 0.745027 0.885160 Zn\n0.458486 0.254973 0.385160 Zn\n0.041514 0.754973 0.364840 Zn\n0.254973 0.458486 0.614840 Zn\n0.754973 0.041514 0.635160 Zn\n0.742624 0.986933 0.844675 O\n0.317921 0.682078 0.750000 O\n0.242624 0.513067 0.405325 O\n0.486933 0.757376 0.094675 O\n0.757376 0.486933 0.905325 O\n0.682078 0.317921 0.250000 O\n0.986933 0.742624 0.155325 O\n0.817921 0.817921 0.500000 O\n0.513067 0.242624 0.594675 O\n0.013067 0.257376 0.655325 O\n0.257376 0.013067 0.344675 O\n0.182079 0.182079 0.000000 O\n",
"nsites": 28,
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"elements": [
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"Zn",
"O"
],
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"density": 4.08238185840092,
"density_atomic": 0.07655516446770344,
"volume": 365.7493285356659,
"volume_molar": 7.866406926133088,
"formula_full": "Na8 Zn8 O12",
"formula_reduced": "Na2Zn2O3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 0.2083056142857144,
"spacegroup": 96
},
{
"id": "jvasp-8143",
"created_at": "2022-09-04T14:37:00.428571Z",
"updated_at": "2022-09-04T14:37:00.428592Z",
"structure_string": "Rb1 Sn1 S2\n1.0\n2.016195 1.164052 7.750271\n-2.016195 1.164052 7.750271\n-0.000000 -2.328101 7.750271\nRb Sn S\n1 1 2\ndirect\n0.822050 0.822050 0.822052 Rb\n0.989538 0.989538 0.989541 Sn\n0.590598 0.590598 0.590599 S\n0.387811 0.387811 0.387812 S\n",
"nsites": 4,
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"elements": [
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"Sn",
"S"
],
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"density": 4.082345102357977,
"density_atomic": 0.03665112508215149,
"volume": 109.13716812333098,
"volume_molar": 16.430984714662102,
"formula_full": "Rb1 Sn1 S2",
"formula_reduced": "RbSnS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6150654249999998,
"spacegroup": 160
},
{
"id": "jvasp-11512",
"created_at": "2022-09-04T14:36:32.468670Z",
"updated_at": "2022-09-04T14:36:32.468704Z",
"structure_string": "Ca2 Mn3 O8\n1.0\n4.746147 0.001931 -1.478803\n-0.859985 5.111207 -2.753408\n-0.001396 -0.000614 6.254321\nCa Mn O\n2 3 8\ndirect\n0.666569 0.724993 0.449984 Ca\n0.333429 0.275009 0.550016 Ca\n0.499999 0.999999 -0.000000 Mn\n0.999999 0.740774 0.000000 Mn\n0.999999 0.259226 0.000000 Mn\n0.041443 0.396617 0.793234 O\n0.958556 0.603383 0.206766 O\n0.097642 0.903056 0.806110 O\n0.902357 0.096945 0.193890 O\n0.391857 0.323343 0.201276 O\n0.391856 0.877934 0.201276 O\n0.608144 0.122066 0.798724 O\n0.608143 0.676658 0.798724 O\n",
"nsites": 13,
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"elements": [
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"Mn",
"O"
],
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"density": 4.082238737842901,
"density_atomic": 0.0856888246593304,
"volume": 151.71173197536055,
"volume_molar": 7.027918499223185,
"formula_full": "Ca2 Mn3 O8",
"formula_reduced": "Ca2Mn3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.7572623510875327,
"spacegroup": 12
}
]
}