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=density&page=237",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=235",
"results": [
{
"id": "jvasp-117965",
"created_at": "2022-09-04T14:38:30.036507Z",
"updated_at": "2022-09-04T14:38:30.036532Z",
"structure_string": "Ca1 C2\n1.0\n6.552533 -0.289124 -0.771441\n1.657417 -3.723034 -0.126232\n2.860314 -0.616423 -2.349916\nCa C\n1 2\ndirect\n0.036222 0.192383 0.590724 Ca\n0.665352 0.565344 0.441910 C\n0.407109 0.819356 0.739514 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ca",
"C"
],
"chemical_system": "C-Ca",
"density": 2.2006008464864806,
"density_atomic": 0.06202395681720791,
"volume": 48.368407208223786,
"volume_molar": 9.70937855149741,
"formula_full": "Ca1 C2",
"formula_reduced": "CaC2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.3778234733333328,
"spacegroup": 12
},
{
"id": "jvasp-118359",
"created_at": "2022-09-04T14:38:51.271530Z",
"updated_at": "2022-09-04T14:38:51.271553Z",
"structure_string": "Ca1 Al1 H2\n1.0\n3.314651 0.000000 0.000000\n0.000000 3.314651 -0.000000\n0.000000 -0.000000 4.743869\nCa Al H\n1 1 2\ndirect\n0.500000 0.500000 0.561553 Ca\n0.000000 0.000000 0.007836 Al\n0.000000 0.000000 0.369617 H\n0.500000 0.500000 0.070993 H\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Al",
"H"
],
"chemical_system": "Al-Ca-H",
"density": 2.2007176106380038,
"density_atomic": 0.07674528217106104,
"volume": 52.120467693169964,
"volume_molar": 7.846919823132551,
"formula_full": "Ca1 Al1 H2",
"formula_reduced": "CaAlH2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.565260805,
"spacegroup": 99
},
{
"id": "jvasp-78314",
"created_at": "2022-09-04T14:37:08.779523Z",
"updated_at": "2022-09-04T14:37:08.779533Z",
"structure_string": "Mg1 Al1\n1.0\n3.012310 0.000000 0.000000\n0.000000 3.012310 -0.000000\n-0.000000 0.000000 4.264530\nMg Al\n1 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Al\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Al"
],
"chemical_system": "Al-Mg",
"density": 2.200807135164974,
"density_atomic": 0.051684401872096594,
"volume": 38.69639441604453,
"volume_molar": 11.651756703894907,
"formula_full": "Mg1 Al1",
"formula_reduced": "MgAl",
"formula_anonymous": "AB",
"energy_above_hull": 0.6185754857142858,
"spacegroup": 123
},
{
"id": "jvasp-115462",
"created_at": "2022-09-04T14:38:45.101681Z",
"updated_at": "2022-09-04T14:38:45.101700Z",
"structure_string": "Be1 B1 O1\n1.0\n3.438038 -0.000000 -0.000000\n-1.719019 2.977428 0.000000\n0.000000 0.000000 2.640087\nBe B O\n1 1 1\ndirect\n0.333333 0.666667 0.000000 Be\n0.000000 0.000000 0.000000 B\n0.666666 0.333333 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"B",
"O"
],
"chemical_system": "B-Be-O",
"density": 2.2010798781624943,
"density_atomic": 0.111007181349007,
"volume": 27.025278576959707,
"volume_molar": 5.425001055622128,
"formula_full": "Be1 B1 O1",
"formula_reduced": "BeBO",
"formula_anonymous": "ABC",
"energy_above_hull": 2.851557394444444,
"spacegroup": 187
},
{
"id": "jvasp-78791",
"created_at": "2022-09-04T14:37:10.875742Z",
"updated_at": "2022-09-04T14:37:10.875774Z",
"structure_string": "Sr1 Mg3\n1.0\n7.291263 0.043623 0.000000\n-1.803926 3.124492 0.000000\n0.000000 0.000000 5.297683\nSr Mg\n1 3\ndirect\n0.162185 0.662185 0.250000 Sr\n0.657965 0.657965 0.250000 Mg\n0.383665 0.383665 0.750000 Mg\n0.796182 0.296182 0.750000 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.2011675946366656,
"density_atomic": 0.03302891231403376,
"volume": 121.10601650967561,
"volume_molar": 18.232936957603762,
"formula_full": "Sr1 Mg3",
"formula_reduced": "SrMg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1310807352941176,
"spacegroup": 25
},
{
"id": "jvasp-20791",
"created_at": "2022-09-04T14:38:35.225808Z",
"updated_at": "2022-09-04T14:38:35.225838Z",
"structure_string": "P16 S28\n1.0\n0.000000 6.766485 0.213237\n17.435255 0.000000 0.000000\n0.000000 -6.102717 -9.099381\nP S\n16 28\ndirect\n0.436680 0.619026 0.718225 P\n0.420355 0.832499 0.505322 P\n0.579645 0.167502 0.494677 P\n0.420355 0.667502 0.005322 P\n-0.000118 0.961576 0.227210 P\n0.000117 0.461576 0.272790 P\n0.000117 0.038424 0.772790 P\n-0.000118 0.538425 0.727210 P\n0.579645 0.332499 -0.005323 P\n0.883959 0.291618 0.357182 P\n0.883959 0.208382 0.857182 P\n0.116040 0.708383 0.642818 P\n0.436680 0.880974 0.218225 P\n0.563320 0.380974 0.281775 P\n0.563320 0.119026 0.781775 P\n0.116041 0.791618 0.142818 P\n0.268953 0.989201 0.194182 S\n0.822152 0.633517 0.583392 S\n0.177848 0.133517 0.916607 S\n0.177848 0.366483 0.416607 S\n0.822152 0.866483 0.083392 S\n0.224262 0.742262 0.353061 S\n0.775738 0.257739 0.646939 S\n0.775738 0.242262 0.146939 S\n0.668639 0.635749 0.956840 S\n0.331360 0.135749 0.543159 S\n0.731047 0.489201 0.305818 S\n0.224262 0.757739 0.853061 S\n0.731046 0.010799 0.805818 S\n0.215139 0.954389 0.808860 S\n0.582309 0.804573 0.714941 S\n0.417690 0.304573 0.785059 S\n0.417691 0.195427 0.285059 S\n0.582310 0.695428 0.214941 S\n0.784861 0.045612 0.191139 S\n0.215139 0.545612 0.308860 S\n0.331360 0.364251 0.043159 S\n0.784861 0.454388 0.691139 S\n0.176490 0.924990 0.455584 S\n0.823510 0.424990 0.044415 S\n0.823510 0.075010 0.544415 S\n0.176489 0.575010 0.955584 S\n0.268953 0.510799 0.694181 S\n0.668640 0.864252 0.456840 S\n",
"nsites": 44,
"nelements": 2,
"elements": [
"P",
"S"
],
"chemical_system": "P-S",
"density": 2.201907504159929,
"density_atomic": 0.041872296881805514,
"volume": 1050.8141008887196,
"volume_molar": 14.382160063965253,
"formula_full": "P16 S28",
"formula_reduced": "P4S7",
"formula_anonymous": "A4B7",
"energy_above_hull": 2.7509765454545456,
"spacegroup": 14
},
{
"id": "jvasp-117463",
"created_at": "2022-09-04T14:38:34.919379Z",
"updated_at": "2022-09-04T14:38:34.919407Z",
"structure_string": "Ba1 B1 P1\n1.0\n4.828432 -0.180116 0.000000\n-1.053564 5.264021 0.000000\n0.000000 0.000000 5.352585\nBa B P\n1 1 1\ndirect\n-0.239316 -0.208300 0.000000 Ba\n0.358835 0.158205 0.000000 B\n0.152508 0.385631 0.000000 P\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"B",
"P"
],
"chemical_system": "B-Ba-P",
"density": 2.2026247598360897,
"density_atomic": 0.02221716128800865,
"volume": 135.0307521789114,
"volume_molar": 27.105806551669374,
"formula_full": "Ba1 B1 P1",
"formula_reduced": "BaBP",
"formula_anonymous": "ABC",
"energy_above_hull": 2.201838017777778,
"spacegroup": 6
},
{
"id": "jvasp-37846",
"created_at": "2022-09-04T14:37:47.767867Z",
"updated_at": "2022-09-04T14:37:47.767892Z",
"structure_string": "Ca7 H12 Cl2\n1.0\n4.647592 -8.049864 -0.000000\n4.647592 8.049865 0.000000\n-0.000000 -0.000000 3.662031\nCa H Cl\n7 12 2\ndirect\n0.666667 0.333333 0.000000 Ca\n0.077619 0.439014 0.000000 Ca\n0.560985 0.638603 0.000000 Ca\n0.361397 0.922381 0.000000 Ca\n0.781418 0.050956 0.500000 Ca\n0.269537 0.218582 0.500000 Ca\n0.949044 0.730463 0.500000 Ca\n0.227969 0.942641 0.500000 H\n0.714673 0.772031 0.500000 H\n0.882077 0.447805 0.500000 H\n0.552194 0.434271 0.500000 H\n0.057358 0.285327 0.500000 H\n0.565728 0.117923 0.500000 H\n0.784375 0.608653 0.000000 H\n0.090363 0.698141 0.000000 H\n0.301859 0.392222 0.000000 H\n0.824278 0.215625 0.000000 H\n0.391346 0.175721 0.000000 H\n0.607777 0.909637 0.000000 H\n0.000000 0.000000 0.000000 Cl\n0.333333 0.666667 0.500000 Cl\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Ca",
"H",
"Cl"
],
"chemical_system": "Ca-Cl-H",
"density": 2.2031365702862487,
"density_atomic": 0.07663915665423239,
"volume": 274.0113659489268,
"volume_molar": 7.857785788496706,
"formula_full": "Ca7 H12 Cl2",
"formula_reduced": "Ca7(H6Cl)2",
"formula_anonymous": "A2B7C12",
"energy_above_hull": 1.6447881464285714,
"spacegroup": 174
},
{
"id": "jvasp-78360",
"created_at": "2022-09-04T14:37:58.518263Z",
"updated_at": "2022-09-04T14:37:58.518276Z",
"structure_string": "K1 S1\n1.0\n3.674202 -0.552322 0.644395\n0.441638 3.689142 0.644395\n-0.724705 -0.552321 3.659208\nK S\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.499999 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"K",
"S"
],
"chemical_system": "K-S",
"density": 2.2037027280663253,
"density_atomic": 0.037297337324709766,
"volume": 53.62313085752063,
"volume_molar": 16.146302100794436,
"formula_full": "K1 S1",
"formula_reduced": "KS",
"formula_anonymous": "AB",
"energy_above_hull": 0.2717149999999999,
"spacegroup": 221
},
{
"id": "jvasp-48240",
"created_at": "2022-09-04T14:36:17.692197Z",
"updated_at": "2022-09-04T14:36:17.692221Z",
"structure_string": "Li1 V1 P3 H1 O10\n1.0\n4.659379 4.386331 0.094946\n-4.659379 4.386331 -0.094946\n-2.564361 0.000000 5.695354\nLi V P H O\n1 1 3 1 10\ndirect\n0.179685 0.179685 0.500000 Li\n0.655270 0.655270 -0.000000 V\n0.189225 0.548074 0.098343 P\n0.559890 0.559890 0.500000 P\n0.548074 0.189225 0.901656 P\n0.229971 0.229971 0.000000 H\n0.330886 0.652540 0.941731 O\n0.655216 0.968957 0.974625 O\n0.592943 0.705441 0.655588 O\n0.305180 0.581109 0.356960 O\n0.293559 0.184985 0.848292 O\n0.184985 0.293559 0.151707 O\n0.581109 0.305180 0.643039 O\n0.705441 0.592943 0.344411 O\n0.968957 0.655216 0.025374 O\n0.652540 0.330886 0.058269 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Li",
"V",
"P",
"H",
"O"
],
"chemical_system": "H-Li-O-P-V",
"density": 2.203872842547956,
"density_atomic": 0.06810411162007532,
"volume": 234.9344205421456,
"volume_molar": 8.842550936711477,
"formula_full": "Li1 V1 P3 H1 O10",
"formula_reduced": "LiVP3HO10",
"formula_anonymous": "ABCD3E10",
"energy_above_hull": 3.03880973125,
"spacegroup": 5
},
{
"id": "jvasp-115763",
"created_at": "2022-09-04T14:38:39.792322Z",
"updated_at": "2022-09-04T14:38:39.792350Z",
"structure_string": "Na1 C1 O1\n1.0\n3.816339 0.000000 -0.000000\n-1.908169 3.305046 0.000000\n-0.000000 0.000000 3.046346\nNa C O\n1 1 1\ndirect\n0.333334 0.666668 0.000000 Na\n0.000000 0.000000 0.000000 C\n0.666667 0.333334 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Na",
"C",
"O"
],
"chemical_system": "C-Na-O",
"density": 2.20401465579535,
"density_atomic": 0.0780760030541555,
"volume": 38.42409809220285,
"volume_molar": 7.7131775762431,
"formula_full": "Na1 C1 O1",
"formula_reduced": "NaCO",
"formula_anonymous": "ABC",
"energy_above_hull": 2.7771575,
"spacegroup": 187
},
{
"id": "jvasp-16365",
"created_at": "2022-09-04T14:37:56.448849Z",
"updated_at": "2022-09-04T14:37:56.448877Z",
"structure_string": "Li1 Al3\n1.0\n4.045571 -0.000000 -0.000000\n-0.000000 4.045571 -0.000000\n-0.000000 -0.000000 4.045571\nLi Al\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Al"
],
"chemical_system": "Al-Li",
"density": 2.2040803116360275,
"density_atomic": 0.060411623753355036,
"volume": 66.2124232305187,
"volume_molar": 9.96851331887194,
"formula_full": "Li1 Al3",
"formula_reduced": "LiAl3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.4031996000000002,
"spacegroup": 221
}
]
}