HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=100",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=98",
"results": [
{
"id": "jvasp-94404",
"created_at": "2022-09-04T14:36:10.693436Z",
"updated_at": "2022-09-04T14:36:10.693453Z",
"structure_string": "Mg4 Sn2\n1.0\n5.773721 -0.000000 -0.000000\n-2.886861 5.000190 -0.000000\n0.000000 0.000000 4.965222\nMg Sn\n4 2\ndirect\n0.668420 0.000000 0.500000 Mg\n0.000000 0.668420 0.500000 Mg\n0.331580 0.331580 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.000000 Sn\n0.666667 0.333333 0.000000 Sn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Sn"
],
"chemical_system": "Mg-Sn",
"density": 3.8765552397682623,
"density_atomic": 0.04185721012288002,
"volume": 143.3444795385509,
"volume_molar": 14.387343882501554,
"formula_full": "Mg4 Sn2",
"formula_reduced": "Mg2Sn",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2182399285714286,
"spacegroup": 189
},
{
"id": "jvasp-86860",
"created_at": "2022-09-04T14:35:46.956676Z",
"updated_at": "2022-09-04T14:35:46.956709Z",
"structure_string": "Te4 I4\n1.0\n4.139107 0.000031 0.915883\n2.027928 7.829131 0.646047\n0.015237 -0.064921 9.739766\nTe I\n4 4\ndirect\n0.699800 0.416687 0.183732 Te\n0.080578 0.679713 0.159123 Te\n0.919425 0.320286 0.840877 Te\n0.300202 0.583313 0.816268 Te\n0.654091 0.880540 0.811276 I\n0.106953 0.230763 0.555384 I\n0.893049 0.769237 0.444617 I\n0.345911 0.119460 0.188725 I\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Te",
"I"
],
"chemical_system": "I-Te",
"density": 5.356905639410836,
"density_atomic": 0.02535125596003735,
"volume": 315.5662193861662,
"volume_molar": 23.754802403056672,
"formula_full": "Te4 I4",
"formula_reduced": "TeI",
"formula_anonymous": "AB",
"energy_above_hull": 0.2181354125000001,
"spacegroup": 12
},
{
"id": "jvasp-90765",
"created_at": "2022-09-04T14:36:10.744710Z",
"updated_at": "2022-09-04T14:36:10.744736Z",
"structure_string": "Hf4 Mg4\n1.0\n6.575329 0.000000 0.000000\n-0.000000 6.575329 -0.000000\n-0.000000 -0.000000 6.575329\nHf Mg\n4 4\ndirect\n0.000000 0.000000 0.000000 Hf\n0.000000 0.500000 0.500000 Hf\n0.500000 0.000000 0.500000 Hf\n0.500000 0.500000 0.000000 Hf\n0.250000 0.250000 0.750000 Mg\n0.250000 0.750000 0.250000 Mg\n0.750000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Hf",
"Mg"
],
"chemical_system": "Hf-Mg",
"density": 4.738205235783463,
"density_atomic": 0.028140870228080365,
"volume": 284.2840301369643,
"volume_molar": 21.399980566311015,
"formula_full": "Hf4 Mg4",
"formula_reduced": "HfMg",
"formula_anonymous": "AB",
"energy_above_hull": 2.6142277142857147,
"spacegroup": 216
},
{
"id": "jvasp-90822",
"created_at": "2022-09-04T14:35:46.808590Z",
"updated_at": "2022-09-04T14:35:46.808616Z",
"structure_string": "Tl6 Ir2\n1.0\n5.718129 0.000000 -0.000000\n0.000000 5.718129 -0.000000\n-0.000000 0.000000 5.718129\nTl Ir\n6 2\ndirect\n0.000000 0.500000 0.750000 Tl\n0.500000 0.250000 0.000000 Tl\n0.750000 0.000000 0.500000 Tl\n0.000000 0.500000 0.250000 Tl\n0.500000 0.750000 0.000000 Tl\n0.250000 0.000000 0.500000 Tl\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tl",
"Ir"
],
"chemical_system": "Ir-Tl",
"density": 14.305762915477693,
"density_atomic": 0.04278860627918367,
"volume": 186.96565968524988,
"volume_molar": 14.0741689988854,
"formula_full": "Tl6 Ir2",
"formula_reduced": "Tl3Ir",
"formula_anonymous": "AB3",
"energy_above_hull": 0.805612225,
"spacegroup": 223
},
{
"id": "jvasp-14969",
"created_at": "2022-09-04T14:36:10.975220Z",
"updated_at": "2022-09-04T14:36:10.975230Z",
"structure_string": "Ti2 Rh2\n1.0\n3.411069 -0.000000 0.000000\n0.000000 4.180740 0.000000\n0.000000 0.000000 4.180740\nTi Rh\n2 2\ndirect\n0.500000 0.500000 0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n-0.000000 0.500000 0.500000 Rh\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Rh"
],
"chemical_system": "Rh-Ti",
"density": 8.398551804027717,
"density_atomic": 0.06709083043855511,
"volume": 59.62066610076298,
"volume_molar": 8.976101086593875,
"formula_full": "Ti2 Rh2",
"formula_reduced": "TiRh",
"formula_anonymous": "AB",
"energy_above_hull": 1.862020666666667,
"spacegroup": 123
},
{
"id": "jvasp-107933",
"created_at": "2022-09-04T14:35:46.812763Z",
"updated_at": "2022-09-04T14:35:46.812787Z",
"structure_string": "Hg3 Pt1\n1.0\n3.881993 -0.017486 -3.874202\n-0.680116 3.821991 -3.874202\n0.014716 0.017486 5.484441\nHg Pt\n3 1\ndirect\n0.750000 0.250000 0.500000 Hg\n0.250000 0.750000 0.500000 Hg\n0.499999 0.499999 -0.000001 Hg\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hg",
"Pt"
],
"chemical_system": "Hg-Pt",
"density": 16.169195507689377,
"density_atomic": 0.04887880156561437,
"volume": 81.8350669795053,
"volume_molar": 12.320557311365224,
"formula_full": "Hg3 Pt1",
"formula_reduced": "Hg3Pt",
"formula_anonymous": "AB3",
"energy_above_hull": 0.2747538375,
"spacegroup": 139
},
{
"id": "jvasp-14848",
"created_at": "2022-09-04T14:36:10.845500Z",
"updated_at": "2022-09-04T14:36:10.845525Z",
"structure_string": "Ho1 Cd1\n1.0\n3.697572 0.000000 -0.000000\n0.000000 3.697572 0.000000\n-0.000000 0.000000 3.697572\nHo Cd\n1 1\ndirect\n0.500000 0.500000 0.500000 Ho\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ho",
"Cd"
],
"chemical_system": "Cd-Ho",
"density": 9.109903097643592,
"density_atomic": 0.03956216750026904,
"volume": 50.55334746222889,
"volume_molar": 15.22196871533656,
"formula_full": "Ho1 Cd1",
"formula_reduced": "HoCd",
"formula_anonymous": "AB",
"energy_above_hull": 0.4272685222222222,
"spacegroup": 221
},
{
"id": "jvasp-28358",
"created_at": "2022-09-04T14:36:10.862615Z",
"updated_at": "2022-09-04T14:36:10.862649Z",
"structure_string": "V1 S2\n1.0\n3.055914 -0.023370 5.486339\n1.406826 2.712932 5.486339\n-0.038779 -0.023370 6.279892\nV S\n1 2\ndirect\n0.000000 0.000000 0.000000 V\n0.748055 0.748055 0.748056 S\n0.251945 0.251945 0.251945 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"V",
"S"
],
"chemical_system": "S-V",
"density": 3.6009870064181175,
"density_atomic": 0.056536111813285723,
"volume": 53.06342979346899,
"volume_molar": 10.651848114154934,
"formula_full": "V1 S2",
"formula_reduced": "VS2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.093258066666668,
"spacegroup": 166
},
{
"id": "jvasp-93336",
"created_at": "2022-09-04T14:36:10.875188Z",
"updated_at": "2022-09-04T14:36:10.875216Z",
"structure_string": "Sn2 O4\n1.0\n0.000000 0.000000 3.245587\n4.807768 0.000000 0.000000\n0.000000 4.807768 0.000000\nSn O\n2 4\ndirect\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.500000 0.193854 0.806146 O\n0.500000 0.806146 0.193854 O\n0.000000 0.306146 0.306146 O\n0.000000 0.693855 0.693855 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sn",
"O"
],
"chemical_system": "O-Sn",
"density": 6.671714366894782,
"density_atomic": 0.07997808298222663,
"volume": 75.02055283487313,
"volume_molar": 7.529738817743716,
"formula_full": "Sn2 O4",
"formula_reduced": "SnO2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.9537629,
"spacegroup": 136
},
{
"id": "jvasp-97892",
"created_at": "2022-09-04T14:35:49.085591Z",
"updated_at": "2022-09-04T14:35:49.085620Z",
"structure_string": "Tl20 Se12\n1.0\n8.553487 0.000000 -0.000000\n-0.000000 8.553487 -0.000000\n-0.000000 -0.000000 12.875290\nTl Se\n20 12\ndirect\n0.419634 0.878935 0.097310 Tl\n0.750000 0.750000 0.281763 Tl\n0.621066 0.419634 0.097310 Tl\n0.080367 0.621066 0.097310 Tl\n0.919634 0.378935 0.902690 Tl\n0.750000 0.750000 0.781804 Tl\n0.580367 0.121065 0.902690 Tl\n0.378948 0.919656 0.402682 Tl\n0.250000 0.250000 0.718237 Tl\n0.250000 0.250000 0.218196 Tl\n0.080344 0.878949 0.597318 Tl\n0.621052 0.080344 0.597318 Tl\n0.580345 0.378948 0.402682 Tl\n0.878949 0.419656 0.597318 Tl\n0.121065 0.919634 0.902690 Tl\n0.919656 0.121052 0.402682 Tl\n0.419656 0.621052 0.597318 Tl\n0.378935 0.580367 0.902690 Tl\n0.121052 0.580345 0.402682 Tl\n0.878935 0.080367 0.097310 Tl\n0.590176 0.409854 0.749997 Se\n0.090176 0.909854 0.250003 Se\n0.250000 0.250000 0.982338 Se\n0.250000 0.250000 0.482332 Se\n0.590147 0.090176 0.250003 Se\n0.750000 0.750000 0.517668 Se\n0.409854 0.909825 0.749997 Se\n0.750000 0.750000 0.017662 Se\n0.090146 0.590176 0.749997 Se\n0.909825 0.090146 0.749997 Se\n0.409825 0.590146 0.250003 Se\n0.909854 0.409825 0.250003 Se\n",
"nsites": 32,
"nelements": 2,
"elements": [
"Tl",
"Se"
],
"chemical_system": "Se-Tl",
"density": 8.87607976615886,
"density_atomic": 0.033970861385311295,
"volume": 941.98376770736,
"volume_molar": 17.727371383652702,
"formula_full": "Tl20 Se12",
"formula_reduced": "Tl5Se3",
"formula_anonymous": "A3B5",
"energy_above_hull": 0.0933816375,
"spacegroup": 130
},
{
"id": "jvasp-5362",
"created_at": "2022-09-04T14:36:11.058575Z",
"updated_at": "2022-09-04T14:36:11.058601Z",
"structure_string": "As16 S12\n1.0\n7.995669 0.000000 0.000000\n0.000000 9.053899 0.000000\n0.000000 0.000000 10.274676\nAs S\n16 12\ndirect\n0.590591 0.641732 0.277179 As\n0.250000 0.159398 0.440319 As\n0.750000 0.840602 0.559682 As\n0.750000 0.340602 0.940319 As\n0.250000 0.531749 0.574323 As\n0.750000 0.468251 0.425677 As\n0.250000 0.031749 0.925678 As\n0.750000 0.968251 0.074323 As\n0.250000 0.659398 0.059682 As\n0.909409 0.641732 0.277179 As\n0.090591 0.858268 0.777179 As\n0.590591 0.141732 0.222821 As\n0.409409 0.858268 0.777179 As\n0.909409 0.141732 0.222821 As\n0.090591 0.358268 0.722821 As\n0.409409 0.358268 0.722821 As\n0.035598 0.667816 0.912227 S\n0.535598 0.332184 0.087773 S\n0.535598 0.832184 0.412227 S\n0.035598 0.167816 0.587774 S\n0.964403 0.332184 0.087773 S\n0.750000 0.595220 0.613937 S\n0.250000 0.404780 0.386064 S\n0.250000 0.904780 0.113937 S\n0.750000 0.095220 0.886064 S\n0.964403 0.832184 0.412227 S\n0.464402 0.667816 0.912227 S\n0.464402 0.167816 0.587774 S\n",
"nsites": 28,
"nelements": 2,
"elements": [
"As",
"S"
],
"chemical_system": "As-S",
"density": 3.535213099770801,
"density_atomic": 0.037644318822609574,
"volume": 743.8041350128749,
"volume_molar": 15.997475710419918,
"formula_full": "As16 S12",
"formula_reduced": "As4S3",
"formula_anonymous": "A3B4",
"energy_above_hull": 2.422713857142857,
"spacegroup": 62
},
{
"id": "jvasp-97720",
"created_at": "2022-09-04T14:36:12.400497Z",
"updated_at": "2022-09-04T14:36:12.400512Z",
"structure_string": "Si12 O24\n1.0\n8.711579 0.000000 -3.080009\n-4.355790 7.544449 -3.080009\n-0.000000 -0.000000 9.240025\nSi O\n12 24\ndirect\n0.249243 0.624622 0.124622 Si\n0.624622 0.500000 0.375378 Si\n0.875378 0.500000 0.124622 Si\n0.875378 0.375378 0.750757 Si\n0.624622 0.124622 0.249243 Si\n0.124622 0.875379 0.500000 Si\n0.500000 0.124622 0.875379 Si\n0.500000 0.375378 0.624622 Si\n0.750757 0.875379 0.375378 Si\n0.375378 0.750757 0.875379 Si\n0.124622 0.249243 0.624622 Si\n0.375378 0.624622 0.500000 Si\n0.262337 0.631169 0.631169 O\n0.368831 0.631169 -0.000000 O\n0.500000 0.912451 0.087549 O\n0.631169 0.000000 0.368831 O\n0.000000 0.631169 0.368831 O\n0.912451 0.087549 0.500000 O\n0.368831 0.737663 0.368831 O\n0.500000 0.587549 0.412451 O\n0.824902 0.412451 0.912451 O\n0.737663 0.368831 0.368831 O\n0.631169 0.368831 -0.000000 O\n0.087549 0.500000 0.912451 O\n0.000000 0.368831 0.631169 O\n0.412451 0.500000 0.587549 O\n0.587549 0.175098 0.087549 O\n0.587549 0.412451 0.500000 O\n0.631169 0.631169 0.262337 O\n0.087549 0.587549 0.175098 O\n0.368831 0.368831 0.737663 O\n0.631169 0.262337 0.631169 O\n0.912451 0.824902 0.412451 O\n0.412451 0.912451 0.824902 O\n0.175098 0.087549 0.587549 O\n0.368831 0.000000 0.631169 O\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 1.9714864509245769,
"density_atomic": 0.05927955681269586,
"volume": 607.2919896103189,
"volume_molar": 10.158882899593882,
"formula_full": "Si12 O24",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.9949085333333332,
"spacegroup": 211
}
]
}