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=energy_above_hull&page=4098",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=4096",
"results": [
{
"id": "jvasp-51152",
"created_at": "2022-09-04T14:36:37.013908Z",
"updated_at": "2022-09-04T14:36:37.013928Z",
"structure_string": "Sr1 Zr2 Nb1\n1.0\n-0.000000 3.654292 3.654292\n3.654292 -0.000000 3.654292\n3.654292 3.654292 0.000000\nSr Zr Nb\n1 2 1\ndirect\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Zr\n0.500000 0.500000 0.500000 Nb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Zr",
"Nb"
],
"chemical_system": "Nb-Sr-Zr",
"density": 6.175687792464252,
"density_atomic": 0.040984557851037044,
"volume": 97.59773460380973,
"volume_molar": 14.693682391031627,
"formula_full": "Sr1 Zr2 Nb1",
"formula_reduced": "SrZr2Nb",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.5498586775,
"spacegroup": 216
},
{
"id": "jvasp-30619",
"created_at": "2022-09-04T14:37:12.280598Z",
"updated_at": "2022-09-04T14:37:12.280617Z",
"structure_string": "Mo2 N2\n1.0\n2.843882 0.019555 0.340291\n0.023536 2.841362 -0.360621\n0.723276 -0.682322 6.023113\nMo N\n2 2\ndirect\n0.489185 0.277658 0.041937 Mo\n0.280077 0.486758 0.459317 Mo\n0.736434 0.030401 0.546803 N\n0.032820 0.734013 0.954445 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mo",
"N"
],
"chemical_system": "Mo-N",
"density": 7.7266665129044,
"density_atomic": 0.08464296493186026,
"volume": 47.25732378609494,
"volume_molar": 7.114756394518996,
"formula_full": "Mo2 N2",
"formula_reduced": "MoN",
"formula_anonymous": "AB",
"energy_above_hull": 3.5501845750000003,
"spacegroup": 139
},
{
"id": "jvasp-29093",
"created_at": "2022-09-04T14:38:00.540198Z",
"updated_at": "2022-09-04T14:38:00.540216Z",
"structure_string": "Te6 Mo3 W1 S2\n1.0\n3.469145 -0.000000 -0.000000\n-1.734572 3.004173 0.000579\n-0.000000 0.006604 34.421836\nTe Mo W S\n6 3 1 2\ndirect\n0.333914 0.667829 0.730854 Te\n0.666095 0.332187 0.030226 Te\n0.666970 0.333937 0.412987 Te\n0.665813 0.331625 0.137705 Te\n0.666674 0.333345 0.520481 Te\n0.334291 0.668581 0.622949 Te\n0.332611 0.665220 0.083880 Mo\n0.333497 0.666990 0.466775 Mo\n0.666456 0.332909 0.275306 Mo\n0.667453 0.334903 0.676966 W\n0.333122 0.666244 0.318385 S\n0.333109 0.666218 0.232235 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"S"
],
"chemical_system": "Mo-S-Te-W",
"density": 6.023863977066817,
"density_atomic": 0.03345028635676579,
"volume": 358.74132352749893,
"volume_molar": 18.003256222594153,
"formula_full": "Te6 Mo3 W1 S2",
"formula_reduced": "Te6Mo3WS2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 3.550368691666667,
"spacegroup": 156
},
{
"id": "jvasp-16370",
"created_at": "2022-09-04T14:37:58.656749Z",
"updated_at": "2022-09-04T14:37:58.656770Z",
"structure_string": "Mn2 Al1 V1\n1.0\n3.556572 0.000000 2.053388\n1.185524 3.353168 2.053388\n0.000000 0.000000 4.106777\nMn Al V\n2 1 1\ndirect\n0.250000 0.250000 0.250001 Mn\n0.749999 0.750000 0.750002 Mn\n0.000000 0.000000 0.000000 Al\n0.499999 0.500000 0.500001 V\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Al",
"V"
],
"chemical_system": "Al-Mn-V",
"density": 6.3672900111804065,
"density_atomic": 0.08167176707617907,
"volume": 48.976533056631595,
"volume_molar": 7.373589400095713,
"formula_full": "Mn2 Al1 V1",
"formula_reduced": "Mn2AlV",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.550632870689655,
"spacegroup": 225
},
{
"id": "jvasp-103764",
"created_at": "2022-09-04T14:37:01.020292Z",
"updated_at": "2022-09-04T14:37:01.020319Z",
"structure_string": "H6 C4 F2\n1.0\n5.094879 0.000000 -0.692515\n0.000000 2.558617 0.000000\n0.007085 0.000000 6.861460\nH C F\n6 4 2\ndirect\n0.152687 0.000000 0.487621 H\n0.448949 0.500001 0.288903 H\n0.198650 0.500001 0.085154 H\n0.652731 0.500001 -0.012444 H\n0.948717 0.000000 0.788635 H\n0.698224 0.000000 0.585011 H\n0.126159 0.000000 0.326246 C\n0.234498 0.500001 0.247089 C\n0.626017 0.500001 0.826178 C\n0.734247 0.000000 0.746942 C\n0.844202 0.000000 0.268695 F\n0.344024 0.500001 0.768807 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"H",
"C",
"F"
],
"chemical_system": "C-F-H",
"density": 1.709353727037275,
"density_atomic": 0.13414194680152533,
"volume": 89.45747609996329,
"volume_molar": 4.489379275902623,
"formula_full": "H6 C4 F2",
"formula_reduced": "H3C2F",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.5506500470833333,
"spacegroup": 8
},
{
"id": "jvasp-15599",
"created_at": "2022-09-04T14:35:55.663397Z",
"updated_at": "2022-09-04T14:35:55.663426Z",
"structure_string": "Nd1 Co2 B2\n1.0\n3.386713 -0.000000 -1.175287\n-0.407859 3.362064 -1.175287\n0.041531 0.046874 5.586905\nNd Co B\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.249999 0.749998 0.499999 Co\n0.749999 0.249999 0.499999 Co\n0.662197 0.662197 0.324395 B\n0.337801 0.337801 0.675603 B\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Nd",
"Co",
"B"
],
"chemical_system": "B-Co-Nd",
"density": 7.3630754628125406,
"density_atomic": 0.07814016129693178,
"volume": 63.987582275394246,
"volume_molar": 7.706844547090105,
"formula_full": "Nd1 Co2 B2",
"formula_reduced": "Nd(CoB)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.5506856933333326,
"spacegroup": 139
},
{
"id": "jvasp-37224",
"created_at": "2022-09-04T14:37:57.117746Z",
"updated_at": "2022-09-04T14:37:57.117758Z",
"structure_string": "Si3 Ru1\n1.0\n0.000000 3.041082 3.041082\n3.041082 -0.000000 3.041082\n3.041082 3.041082 0.000000\nSi Ru\n3 1\ndirect\n0.000000 0.000000 0.000000 Si\n0.499999 0.499999 0.499999 Si\n0.250000 0.250000 0.250000 Si\n0.750001 0.750001 0.750001 Ru\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Si",
"Ru"
],
"chemical_system": "Ru-Si",
"density": 5.471069525295284,
"density_atomic": 0.07111244382311335,
"volume": 56.2489458237392,
"volume_molar": 8.468476733804291,
"formula_full": "Si3 Ru1",
"formula_reduced": "Si3Ru",
"formula_anonymous": "AB3",
"energy_above_hull": 3.5507065749999995,
"spacegroup": 225
},
{
"id": "jvasp-90189",
"created_at": "2022-09-04T14:36:18.071653Z",
"updated_at": "2022-09-04T14:36:18.071673Z",
"structure_string": "Zr6 Cu1 Bi2\n1.0\n0.000000 0.000000 -3.815986\n-3.926570 -6.801017 0.000000\n-3.926710 6.801098 0.000000\nZr Cu Bi\n6 1 2\ndirect\n0.500001 0.605535 -0.000000 Zr\n0.500001 0.394443 0.394460 Zr\n0.500001 0.999983 0.605540 Zr\n0.000000 0.238036 -0.000000 Zr\n0.000000 0.761948 0.761960 Zr\n0.000000 0.999987 0.238039 Zr\n0.500001 -0.000001 0.000000 Cu\n0.000000 0.333318 0.666666 Bi\n0.000000 0.666652 0.333334 Bi\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Zr",
"Cu",
"Bi"
],
"chemical_system": "Bi-Cu-Zr",
"density": 8.382377121517544,
"density_atomic": 0.04415787930763559,
"volume": 203.81413557701714,
"volume_molar": 13.637749036916901,
"formula_full": "Zr6 Cu1 Bi2",
"formula_reduced": "Zr6CuBi2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.5509006722222227,
"spacegroup": 189
},
{
"id": "jvasp-28653",
"created_at": "2022-09-04T14:36:52.499275Z",
"updated_at": "2022-09-04T14:36:52.499301Z",
"structure_string": "Te6 Mo3 W1 S2\n1.0\n3.466957 -0.000000 0.000000\n-1.733479 3.002498 0.000112\n0.000000 0.001647 39.225524\nTe Mo W S\n6 3 1 2\ndirect\n0.333402 0.666803 0.328942 Te\n0.333376 0.666752 0.704912 Te\n0.666512 0.333022 0.422409 Te\n0.666597 0.333191 0.516730 Te\n0.333472 0.666944 0.234048 Te\n0.333460 0.666922 0.610611 Te\n0.333261 0.666523 0.094046 Mo\n0.333223 0.666445 0.469572 Mo\n0.666748 0.333495 0.657811 Mo\n0.666772 0.333544 0.281519 W\n0.666676 0.333350 0.056124 S\n0.666509 0.333017 0.132024 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"S"
],
"chemical_system": "Mo-S-Te-W",
"density": 5.292448339716412,
"density_atomic": 0.029388763286468868,
"volume": 408.3193254179914,
"volume_molar": 20.49130377246159,
"formula_full": "Te6 Mo3 W1 S2",
"formula_reduced": "Te6Mo3WS2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 3.550932025,
"spacegroup": 156
},
{
"id": "jvasp-8682",
"created_at": "2022-09-04T14:36:33.984425Z",
"updated_at": "2022-09-04T14:36:33.984445Z",
"structure_string": "Au1 C1 N1\n1.0\n1.701852 -2.947694 0.000000\n1.701852 2.947694 -0.000000\n0.000000 -0.000000 5.096735\nAu C N\n1 1 1\ndirect\n0.000000 0.000000 0.019031 Au\n0.000000 0.000000 0.399259 C\n0.000000 0.000000 0.627709 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Au",
"C",
"N"
],
"chemical_system": "Au-C-N",
"density": 7.240965911942167,
"density_atomic": 0.05866715374746986,
"volume": 51.13593907952934,
"volume_molar": 10.264927434390348,
"formula_full": "Au1 C1 N1",
"formula_reduced": "AuCN",
"formula_anonymous": "ABC",
"energy_above_hull": 3.5510636066666663,
"spacegroup": 183
},
{
"id": "jvasp-15419",
"created_at": "2022-09-04T14:36:55.814938Z",
"updated_at": "2022-09-04T14:36:55.814972Z",
"structure_string": "Zr4 Sn2 C2\n1.0\n1.692858 -2.932115 0.000000\n1.692858 2.932115 -0.000000\n0.000000 0.000000 14.678843\nZr Sn C\n4 2 2\ndirect\n0.333334 0.666667 0.085188 Zr\n0.333334 0.666667 0.414812 Zr\n0.666667 0.333334 0.585188 Zr\n0.666667 0.333334 0.914812 Zr\n0.333334 0.666667 0.750000 Sn\n0.666667 0.333334 0.250000 Sn\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zr",
"Sn",
"C"
],
"chemical_system": "C-Sn-Zr",
"density": 7.1373022990921156,
"density_atomic": 0.05489927838466354,
"volume": 145.7214053697808,
"volume_molar": 10.969435186022997,
"formula_full": "Zr4 Sn2 C2",
"formula_reduced": "Zr2SnC",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.551205175,
"spacegroup": 194
},
{
"id": "jvasp-29107",
"created_at": "2022-09-04T14:35:50.914414Z",
"updated_at": "2022-09-04T14:35:50.914441Z",
"structure_string": "Te6 Mo3 W1 S2\n1.0\n3.477378 0.000003 0.000000\n-1.738685 3.011358 -0.000018\n-0.000002 -0.000233 38.874838\nTe Mo W S\n6 3 1 2\ndirect\n0.333354 0.666710 0.704762 Te\n0.666645 0.333287 0.046784 Te\n0.666646 0.333291 0.421726 Te\n0.666645 0.333290 0.141497 Te\n0.666645 0.333287 0.517156 Te\n0.333353 0.666708 0.610268 Te\n0.333318 0.666636 0.093976 Mo\n0.666686 0.333372 0.281812 Mo\n0.666675 0.333351 0.657632 Mo\n0.333320 0.666639 0.469554 W\n0.333358 0.666717 0.319887 S\n0.333356 0.666715 0.243692 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"S"
],
"chemical_system": "Mo-S-Te-W",
"density": 5.308520062962021,
"density_atomic": 0.029478008951188225,
"volume": 407.0831249108598,
"volume_molar": 20.42926566028217,
"formula_full": "Te6 Mo3 W1 S2",
"formula_reduced": "Te6Mo3WS2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 3.551256191666667,
"spacegroup": 156
}
]
}