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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=1246",
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"results": [
{
"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,
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"elements": [
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"formula_full": "Li4 Mn1 Cr5 O12",
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{
"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",
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"elements": [
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],
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"density": 4.082524827414831,
"density_atomic": 0.023650205779901824,
"volume": 253.69758114742743,
"volume_molar": 25.46337573568884,
"formula_full": "Ba4 Be1 Zn1",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"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,
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"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-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,
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"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-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,
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"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",
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"spacegroup": 166
},
{
"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,
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"elements": [
"K",
"Ag",
"O"
],
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"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-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,
"nelements": 3,
"elements": [
"Li",
"Si",
"Pd"
],
"chemical_system": "Li-Pd-Si",
"density": 4.082933945618958,
"density_atomic": 0.06221109705060695,
"volume": 80.37151307479184,
"volume_molar": 9.680171296611535,
"formula_full": "Li1 Si3 Pd1",
"formula_reduced": "LiSi3Pd",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.5289063,
"spacegroup": 107
},
{
"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"
],
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"density": 4.0830435759573,
"density_atomic": 0.062212767472834954,
"volume": 80.3693550874945,
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"formula_full": "Li1 Si3 Pd1",
"formula_reduced": "LiSi3Pd",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.5289063,
"spacegroup": 107
},
{
"id": "jvasp-17817",
"created_at": "2022-09-04T14:37:28.597208Z",
"updated_at": "2022-09-04T14:37:28.597230Z",
"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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],
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"volume": 80.3693550874945,
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"formula_full": "Li1 Si3 Pd1",
"formula_reduced": "LiSi3Pd",
"formula_anonymous": "ABC3",
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"spacegroup": 107
},
{
"id": "jvasp-17353",
"created_at": "2022-09-04T14:36:14.015322Z",
"updated_at": "2022-09-04T14:36:14.015343Z",
"structure_string": "Al1 Cr1 O3\n1.0\n3.724291 0.000000 -0.000000\n0.000000 3.724291 -0.000000\n0.000000 -0.000000 3.722792\nAl Cr O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Cr\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 5,
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"elements": [
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"Cr",
"O"
],
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"density": 4.083327374380683,
"density_atomic": 0.09683091089338786,
"volume": 51.63640364289321,
"volume_molar": 6.219233821553594,
"formula_full": "Al1 Cr1 O3",
"formula_reduced": "AlCrO3",
"formula_anonymous": "ABC3",
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"spacegroup": 221
},
{
"id": "jvasp-81146",
"created_at": "2022-09-04T14:36:47.304978Z",
"updated_at": "2022-09-04T14:36:47.305008Z",
"structure_string": "Ba2 Mg1 Cd1\n1.0\n-17.201793 -0.000000 -9.931458\n-10.031101 -0.489620 -2.488541\n-8.846822 2.860027 -4.539773\nBa Mg Cd\n2 1 1\ndirect\n0.664816 -0.000001 -0.000000 Ba\n0.335184 -0.000000 -0.000000 Ba\n0.000000 0.000000 0.000000 Mg\n0.500000 -0.000001 -0.000000 Cd\n",
"nsites": 4,
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],
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"density": 4.083573934131957,
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"volume": 167.27894899065842,
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"formula_full": "Ba2 Mg1 Cd1",
"formula_reduced": "Ba2MgCd",
"formula_anonymous": "ABC2",
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"spacegroup": 139
},
{
"id": "jvasp-44524",
"created_at": "2022-09-04T14:38:09.756535Z",
"updated_at": "2022-09-04T14:38:09.756554Z",
"structure_string": "Sn4 B4 O12\n1.0\n5.138182 0.000779 -0.324148\n2.557268 4.456601 0.324148\n-0.731216 1.262409 12.793928\nSn B O\n4 4 12\ndirect\n0.152841 0.625512 0.361901 Sn\n0.454704 0.112062 0.127747 Sn\n0.374487 0.847159 0.861901 Sn\n0.887938 0.545296 0.627747 Sn\n0.106102 0.454938 0.879602 B\n0.562864 0.204838 0.630655 B\n0.545062 0.893898 0.379602 B\n0.795162 0.437135 0.130654 B\n0.804402 0.174136 0.113594 O\n0.517347 0.696395 0.123965 O\n0.555012 0.939222 0.652166 O\n0.825863 0.195598 0.613594 O\n0.253629 0.972531 0.377762 O\n0.303604 0.482653 0.623965 O\n0.284389 0.205953 0.964568 O\n0.027469 0.746371 0.877762 O\n0.794047 0.715611 0.464568 O\n0.060778 0.444988 0.152166 O\n0.655199 0.963987 0.291790 O\n0.036012 0.344801 0.791790 O\n",
"nsites": 20,
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],
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"volume": 288.73492473916224,
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"formula_full": "Sn4 B4 O12",
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"spacegroup": 9
}
]
}