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{
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{
"id": "jvasp-79088",
"created_at": "2022-09-04T14:37:11.766132Z",
"updated_at": "2022-09-04T14:37:11.766156Z",
"structure_string": "Tb1 Ag1 Hg2\n1.0\n0.000000 3.537806 3.537806\n3.537806 0.000000 3.537806\n3.537806 3.537806 0.000000\nTb Ag Hg\n1 1 2\ndirect\n0.750002 0.750002 0.750002 Tb\n0.250000 0.250000 0.250000 Ag\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n",
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"density": 12.524959356391644,
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"volume": 88.5588642381064,
"volume_molar": 13.33284864969017,
"formula_full": "Tb1 Ag1 Hg2",
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{
"id": "jvasp-37231",
"created_at": "2022-09-04T14:37:54.880469Z",
"updated_at": "2022-09-04T14:37:54.880491Z",
"structure_string": "Sm1 Ag2 Hg1\n1.0\n0.000000 3.521004 3.521004\n3.521004 0.000000 3.521004\n3.521004 3.521004 0.000000\nSm Ag Hg\n1 2 1\ndirect\n0.750000 0.750000 0.750000 Sm\n0.499998 0.499998 0.499998 Ag\n0.000000 0.000000 0.000000 Ag\n0.250000 0.250000 0.250000 Hg\n",
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"density": 10.778599533831553,
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"volume": 87.30307706092202,
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"formula_full": "Sm1 Ag2 Hg1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
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{
"id": "jvasp-40320",
"created_at": "2022-09-04T14:37:44.188881Z",
"updated_at": "2022-09-04T14:37:44.188897Z",
"structure_string": "Sm1 Ag1 Hg2\n1.0\n0.000000 3.574508 3.574508\n3.574508 0.000000 3.574508\n3.574508 3.574508 0.000000\nSm Ag Hg\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Sm\n0.250001 0.250001 0.250001 Ag\n0.000000 0.000000 0.000000 Hg\n0.500001 0.500001 0.500001 Hg\n",
"nsites": 4,
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"elements": [
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"Ag",
"Hg"
],
"chemical_system": "Ag-Hg-Sm",
"density": 11.987389727657249,
"density_atomic": 0.043790628208673923,
"volume": 91.3437455370346,
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"formula_full": "Sm1 Ag1 Hg2",
"formula_reduced": "SmAgHg2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
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{
"id": "jvasp-37255",
"created_at": "2022-09-04T14:37:51.517194Z",
"updated_at": "2022-09-04T14:37:51.517203Z",
"structure_string": "Sm2 Ag1 Hg1\n1.0\n0.000000 3.721826 3.721826\n3.721826 -0.000000 3.721826\n3.721826 3.721826 0.000000\nSm Ag Hg\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500001 0.500001 0.500001 Sm\n0.250001 0.250001 0.250001 Ag\n0.750002 0.750002 0.750002 Hg\n",
"nsites": 4,
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"elements": [
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"Ag",
"Hg"
],
"chemical_system": "Ag-Hg-Sm",
"density": 9.810592992915346,
"density_atomic": 0.03879375326485613,
"volume": 103.1093839436171,
"volume_molar": 15.523480594633652,
"formula_full": "Sm2 Ag1 Hg1",
"formula_reduced": "Sm2AgHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.482654235625,
"spacegroup": 225
},
{
"id": "jvasp-10718",
"created_at": "2022-09-04T14:37:27.883843Z",
"updated_at": "2022-09-04T14:37:27.883858Z",
"structure_string": "Ag4 Sn2 Hg2 Se8\n1.0\n7.153936 0.000000 0.000000\n0.000000 7.492951 0.000000\n0.000000 0.000000 8.539940\nAg Sn Hg Se\n4 2 2 8\ndirect\n0.497419 0.821414 0.745084 Ag\n0.997420 0.178586 0.245084 Ag\n0.997420 0.178586 0.754916 Ag\n0.497419 0.821414 0.254916 Ag\n0.477969 0.332891 0.500000 Sn\n0.977969 0.667109 0.000000 Sn\n0.970536 0.649109 0.500000 Hg\n0.470535 0.350891 0.000000 Hg\n0.354502 0.656543 0.500000 Se\n0.854503 0.343457 0.000000 Se\n0.841325 0.314190 0.500000 Se\n0.341325 0.685810 0.000000 Se\n0.862917 0.843399 0.755861 Se\n0.862917 0.843399 0.244139 Se\n0.362917 0.156601 0.255861 Se\n0.362917 0.156601 0.744139 Se\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"Hg",
"Se"
],
"chemical_system": "Ag-Hg-Se-Sn",
"density": 6.172950703585298,
"density_atomic": 0.034951612764794866,
"volume": 457.7757286243471,
"volume_molar": 17.229936714296123,
"formula_full": "Ag4 Sn2 Hg2 Se8",
"formula_reduced": "Ag2SnHgSe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.5268142858333333,
"spacegroup": 31
},
{
"id": "jvasp-41979",
"created_at": "2022-09-04T14:37:33.107779Z",
"updated_at": "2022-09-04T14:37:33.107805Z",
"structure_string": "Sc2 Ag1 Hg1\n1.0\n0.000000 3.456623 3.456623\n3.456623 -0.000000 3.456623\n3.456623 3.456623 -0.000000\nSc Ag Hg\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.250001 0.250001 0.250001 Ag\n0.749999 0.749999 0.749999 Hg\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ag-Hg-Sc",
"density": 8.008472848019549,
"density_atomic": 0.04842548171252808,
"volume": 82.60114011349455,
"volume_molar": 12.435892317498665,
"formula_full": "Sc2 Ag1 Hg1",
"formula_reduced": "Sc2AgHg",
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"spacegroup": 225
},
{
"id": "jvasp-80847",
"created_at": "2022-09-04T14:37:15.736359Z",
"updated_at": "2022-09-04T14:37:15.736377Z",
"structure_string": "Sc1 Ag2 Hg1\n1.0\n-11.339717 2.133556 -3.071962\n-7.817528 1.037381 0.539358\n-6.844295 3.785286 -1.146317\nSc Ag Hg\n1 2 1\ndirect\n0.000000 0.000000 -0.000000 Sc\n0.732011 0.014037 0.013996 Ag\n0.267988 -0.014035 -0.013995 Ag\n0.500000 0.000000 0.000000 Hg\n",
"nsites": 4,
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"elements": [
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"Ag",
"Hg"
],
"chemical_system": "Ag-Hg-Sc",
"density": 9.72873973918171,
"density_atomic": 0.050804324053079795,
"volume": 78.73345575508188,
"volume_molar": 11.85359882695838,
"formula_full": "Sc1 Ag2 Hg1",
"formula_reduced": "ScAg2Hg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0636035925,
"spacegroup": 12
},
{
"id": "jvasp-85038",
"created_at": "2022-09-04T14:37:15.753691Z",
"updated_at": "2022-09-04T14:37:15.753715Z",
"structure_string": "Sc1 Ag1 Hg2\n1.0\n-9.925669 -0.000000 -5.730588\n-10.247632 0.012168 6.288243\n-6.730170 9.961054 0.195820\nSc Ag Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 -0.000000 0.000000 Ag\n0.742212 -0.000000 0.000000 Hg\n0.257788 -0.000000 0.000000 Hg\n",
"nsites": 4,
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"elements": [
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"density": 0.7626877308506245,
"density_atomic": 0.0033162301673996977,
"volume": 1206.18889464372,
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"formula_full": "Sc1 Ag1 Hg2",
"formula_reduced": "ScAgHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1163304275,
"spacegroup": 71
},
{
"id": "jvasp-10532",
"created_at": "2022-09-04T14:37:19.234127Z",
"updated_at": "2022-09-04T14:37:19.234151Z",
"structure_string": "Ag4 Hg2 S4\n1.0\n0.000000 4.178237 -0.018728\n7.942840 0.000000 0.000000\n0.000000 -2.320955 -6.312035\nAg Hg S\n4 2 4\ndirect\n0.387333 0.149493 0.599234 Ag\n0.612667 0.649493 0.900768 Ag\n0.387333 0.350507 0.099233 Ag\n0.612667 0.850507 0.400768 Ag\n-0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.189036 0.873883 0.730817 S\n0.810964 0.373883 0.769185 S\n0.810964 0.126117 0.269184 S\n0.189036 0.626117 0.230816 S\n",
"nsites": 10,
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"elements": [
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"Hg",
"S"
],
"chemical_system": "Ag-Hg-S",
"density": 7.604656490125824,
"density_atomic": 0.04765917555766921,
"volume": 209.82318479050613,
"volume_molar": 12.635847535199192,
"formula_full": "Ag4 Hg2 S4",
"formula_reduced": "Ag2HgS2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.3237538240000001,
"spacegroup": 14
},
{
"id": "jvasp-41826",
"created_at": "2022-09-04T14:37:32.334042Z",
"updated_at": "2022-09-04T14:37:32.334062Z",
"structure_string": "Pr1 Ag1 Hg2\n1.0\n-0.000001 3.625784 3.625783\n3.625782 -0.000000 3.625782\n3.625783 3.625785 -0.000001\nPr Ag Hg\n1 1 2\ndirect\n0.750000 0.749999 0.750000 Pr\n0.249999 0.249999 0.249999 Ag\n0.000000 0.000000 0.000000 Hg\n0.500000 0.499999 0.500000 Hg\n",
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"density": 11.321327507322396,
"density_atomic": 0.04195892866428787,
"volume": 95.33131868079569,
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"formula_full": "Pr1 Ag1 Hg2",
"formula_reduced": "PrAgHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-38418",
"created_at": "2022-09-04T14:38:01.041099Z",
"updated_at": "2022-09-04T14:38:01.041117Z",
"structure_string": "Pr2 Ag1 Hg1\n1.0\n-0.000000 3.802364 3.802364\n3.802364 -0.000000 3.802364\n3.802364 3.802364 -0.000000\nPr Ag Hg\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.499998 0.499998 0.499998 Pr\n0.250000 0.250000 0.250000 Ag\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
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"elements": [
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"density": 8.914794153238693,
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"volume": 109.9489444041312,
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"formula_full": "Pr2 Ag1 Hg1",
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"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-42098",
"created_at": "2022-09-04T14:37:46.422211Z",
"updated_at": "2022-09-04T14:37:46.422221Z",
"structure_string": "Pm1 Ag1 Hg2\n1.0\n-0.000000 3.587451 3.587451\n3.587451 -0.000000 3.587451\n3.587451 3.587451 -0.000000\nPm Ag Hg\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Pm\n0.250001 0.250001 0.250001 Ag\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n",
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],
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"volume": 92.3395873194938,
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"formula_full": "Pm1 Ag1 Hg2",
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"formula_anonymous": "ABC2",
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}
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}