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=406",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=404",
"results": [
{
"id": "jvasp-12909",
"created_at": "2022-09-04T14:36:47.869741Z",
"updated_at": "2022-09-04T14:36:47.869755Z",
"structure_string": "P12 Ru4\n1.0\n5.942021 -0.008682 0.004132\n1.784169 5.728670 0.005306\n2.763221 2.253785 7.369896\nP Ru\n12 4\ndirect\n0.829591 0.082807 0.319389 P\n0.170408 0.917192 0.680612 P\n0.193438 0.528954 0.447713 P\n0.806562 0.471046 0.552288 P\n0.340260 0.217889 0.657062 P\n0.659740 0.782110 0.342939 P\n0.678060 0.662357 0.765860 P\n0.321939 0.337642 0.234141 P\n0.682614 0.052744 0.941002 P\n0.317386 0.947255 0.058999 P\n0.152597 0.316793 0.913982 P\n0.847403 0.683207 0.086018 P\n0.276908 0.633506 0.956182 Ru\n0.723092 0.366493 0.043818 Ru\n0.227107 0.930898 0.371840 Ru\n0.772893 0.069101 0.628161 Ru\n",
"nsites": 16,
"nelements": 2,
"elements": [
"P",
"Ru"
],
"chemical_system": "P-Ru",
"density": 5.136319539585434,
"density_atomic": 0.06377944062170131,
"volume": 250.86453948227185,
"volume_molar": 9.442134802842617,
"formula_full": "P12 Ru4",
"formula_reduced": "P3Ru",
"formula_anonymous": "AB3",
"energy_above_hull": 3.222859250000001,
"spacegroup": 2
},
{
"id": "jvasp-107239",
"created_at": "2022-09-04T14:36:55.671843Z",
"updated_at": "2022-09-04T14:36:55.671870Z",
"structure_string": "Zn1 Co1\n1.0\n2.600356 -0.000000 0.000000\n-1.300178 2.251975 0.000000\n0.000000 -0.000000 4.148440\nZn Co\n1 1\ndirect\n0.666667 0.333333 -0.000000 Zn\n0.000000 0.000000 0.500000 Co\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zn",
"Co"
],
"chemical_system": "Co-Zn",
"density": 8.499364217858368,
"density_atomic": 0.08232823573387718,
"volume": 24.293002056608163,
"volume_molar": 7.314793893393193,
"formula_full": "Zn1 Co1",
"formula_reduced": "ZnCo",
"formula_anonymous": "AB",
"energy_above_hull": 0.8345336333333334,
"spacegroup": 187
},
{
"id": "jvasp-105203",
"created_at": "2022-09-04T14:36:48.463619Z",
"updated_at": "2022-09-04T14:36:48.463645Z",
"structure_string": "Mg5 In1\n1.0\n8.250938 0.058391 0.000000\n-7.636949 3.123842 0.000000\n0.000000 0.000000 5.190859\nMg In\n5 1\ndirect\n-0.000094 0.000094 0.000000 Mg\n0.332790 0.667209 -0.000000 Mg\n0.665452 0.334547 -0.000000 Mg\n0.445685 0.554314 0.500000 Mg\n0.111927 0.888072 0.500000 Mg\n0.777577 0.222423 0.500000 In\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"In"
],
"chemical_system": "In-Mg",
"density": 2.8834386577948075,
"density_atomic": 0.0440828968306231,
"volume": 136.1072078147091,
"volume_molar": 13.660946065179171,
"formula_full": "Mg5 In1",
"formula_reduced": "Mg5In",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0014733333333333,
"spacegroup": 38
},
{
"id": "jvasp-12405",
"created_at": "2022-09-04T14:37:05.320316Z",
"updated_at": "2022-09-04T14:37:05.320337Z",
"structure_string": "Tb7 O12\n1.0\n6.534622 -0.015295 -1.087743\n-1.281306 6.407790 -1.087743\n-0.012569 -0.015294 6.624523\nTb O\n7 12\ndirect\n0.000000 0.000000 0.000000 Tb\n0.301380 0.138605 0.608305 Tb\n0.608305 0.301381 0.138604 Tb\n0.861395 0.391696 0.698620 Tb\n0.698619 0.861397 0.391695 Tb\n0.391694 0.698621 0.861396 Tb\n0.138604 0.608305 0.301380 Tb\n0.062936 0.935426 0.326041 O\n0.935426 0.326041 0.062937 O\n0.179063 0.436028 0.578467 O\n0.064573 0.673960 0.937064 O\n0.326041 0.062937 0.935426 O\n0.421532 0.820937 0.563972 O\n0.563972 0.421534 0.820937 O\n0.820936 0.563973 0.421533 O\n0.578467 0.179064 0.436028 O\n0.436027 0.578468 0.179064 O\n0.937064 0.064575 0.673960 O\n0.673959 0.937064 0.064574 O\n",
"nsites": 19,
"nelements": 2,
"elements": [
"Tb",
"O"
],
"chemical_system": "O-Tb",
"density": 7.81888084310007,
"density_atomic": 0.06858275378397283,
"volume": 277.0375779871372,
"volume_molar": 8.78083837077904,
"formula_full": "Tb7 O12",
"formula_reduced": "Tb7O12",
"formula_anonymous": "A7B12",
"energy_above_hull": 2.403853726315789,
"spacegroup": 148
},
{
"id": "jvasp-51357",
"created_at": "2022-09-04T14:37:05.490773Z",
"updated_at": "2022-09-04T14:37:05.490792Z",
"structure_string": "Yb4 S6\n1.0\n2.996746 3.720932 8.599055\n-2.470486 3.210859 3.980480\n-3.237267 -6.366314 -1.744018\nYb S\n4 6\ndirect\n0.165725 0.192994 0.732220 Yb\n0.834273 0.807007 0.267779 Yb\n0.433503 0.693001 0.267784 Yb\n0.566496 0.307000 0.732216 Yb\n0.567654 0.828311 0.757370 S\n0.884340 0.250001 0.768679 S\n0.189718 0.671690 0.757375 S\n0.432345 0.171690 0.242629 S\n0.115659 0.750000 0.231320 S\n0.810281 0.328311 0.242625 S\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Yb",
"S"
],
"chemical_system": "S-Yb",
"density": 6.682360575636431,
"density_atomic": 0.04549445029615515,
"volume": 219.80702997625022,
"volume_molar": 13.237088745545183,
"formula_full": "Yb4 S6",
"formula_reduced": "Yb2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.204292,
"spacegroup": 15
},
{
"id": "jvasp-101793",
"created_at": "2022-09-04T14:36:59.664545Z",
"updated_at": "2022-09-04T14:36:59.664582Z",
"structure_string": "H8 C12\n1.0\n3.694712 -0.071368 -0.376541\n-1.048974 6.779705 -1.848566\n-0.261401 0.030618 7.089037\nH C\n8 12\ndirect\n0.071935 0.507946 0.634156 H\n0.225833 0.037636 0.165939 H\n0.012413 0.457298 0.312867 H\n0.858514 0.927603 0.781075 H\n0.726747 0.175490 0.029253 H\n0.572895 0.644006 0.499269 H\n0.357596 0.789736 0.917748 H\n0.511443 0.321229 0.447747 H\n0.370721 0.012002 0.299091 C\n0.051960 0.496403 0.782731 C\n0.706909 0.147731 0.637760 C\n0.206951 0.646870 0.138630 C\n0.377434 0.817503 0.309254 C\n0.552517 0.792254 0.487554 C\n0.713622 0.953232 0.647922 C\n0.032371 0.468833 0.164287 C\n0.213126 0.656764 0.943709 C\n0.871214 0.308467 0.003305 C\n0.877390 0.318361 0.808386 C\n0.531819 0.172983 0.459463 C\n",
"nsites": 20,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.431338895738077,
"density_atomic": 0.11327440127408152,
"volume": 176.56239869772085,
"volume_molar": 5.3164180894045785,
"formula_full": "H8 C12",
"formula_reduced": "H2C3",
"formula_anonymous": "A2B3",
"energy_above_hull": 4.955298000000001,
"spacegroup": 15
},
{
"id": "jvasp-11417",
"created_at": "2022-09-04T14:37:05.226539Z",
"updated_at": "2022-09-04T14:37:05.226558Z",
"structure_string": "Sn6 N8\n1.0\n5.594475 0.000000 3.229972\n1.864825 5.274522 3.229972\n-0.000000 -0.000000 6.459944\nSn N\n6 8\ndirect\n0.500000 0.000000 0.499999 Sn\n-0.000000 0.500000 0.500000 Sn\n0.500000 0.500000 -0.000000 Sn\n0.500000 0.500000 0.499999 Sn\n0.875000 0.875000 0.874999 Sn\n0.125000 0.125000 0.125000 Sn\n0.740950 0.740950 0.740949 N\n0.259050 0.259050 0.722849 N\n0.259050 0.722850 0.259050 N\n0.722850 0.259050 0.259049 N\n0.740950 0.277150 0.740949 N\n0.277150 0.740950 0.740950 N\n0.259050 0.259050 0.259050 N\n0.740950 0.740950 0.277149 N\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Sn",
"N"
],
"chemical_system": "N-Sn",
"density": 7.180759208737362,
"density_atomic": 0.07344408708903666,
"volume": 190.62119981187493,
"volume_molar": 8.199626407908545,
"formula_full": "Sn6 N8",
"formula_reduced": "Sn3N4",
"formula_anonymous": "A3B4",
"energy_above_hull": 3.5827754428571423,
"spacegroup": 227
},
{
"id": "jvasp-107467",
"created_at": "2022-09-04T14:36:59.702992Z",
"updated_at": "2022-09-04T14:36:59.703011Z",
"structure_string": "Na2 Hg6\n1.0\n6.692038 0.000000 0.000000\n-3.346019 5.795475 0.000000\n0.000000 -0.000000 5.225918\nNa Hg\n2 6\ndirect\n0.666667 0.333334 0.250000 Na\n0.333334 0.666667 0.750000 Na\n0.832301 0.167700 0.750000 Hg\n0.335399 0.167700 0.750000 Hg\n0.832301 0.664602 0.750000 Hg\n0.167700 0.832301 0.250000 Hg\n0.664601 0.832301 0.250000 Hg\n0.167700 0.335399 0.250000 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Na",
"Hg"
],
"chemical_system": "Hg-Na",
"density": 10.237222037934234,
"density_atomic": 0.039471166458856365,
"volume": 202.6795941877972,
"volume_molar": 15.257063067232407,
"formula_full": "Na2 Hg6",
"formula_reduced": "NaHg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-9072",
"created_at": "2022-09-04T14:37:05.384207Z",
"updated_at": "2022-09-04T14:37:05.384233Z",
"structure_string": "Ca6 N4\n1.0\n5.437737 -0.006232 3.662536\n1.945718 5.077716 3.662536\n-0.009073 -0.006232 6.556147\nCa N\n6 4\ndirect\n0.750000 0.450446 0.049554 Ca\n0.049554 0.750001 0.450446 Ca\n0.450446 0.049555 0.750000 Ca\n0.950446 0.250001 0.549554 Ca\n0.250000 0.549555 0.950446 Ca\n0.549555 0.950447 0.250000 Ca\n0.853962 0.853962 0.853961 N\n0.646040 0.646040 0.646039 N\n0.146040 0.146040 0.146040 N\n0.353961 0.353961 0.353961 N\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ca",
"N"
],
"chemical_system": "Ca-N",
"density": 2.7148407061829323,
"density_atomic": 0.05514144895378043,
"volume": 181.35178145902552,
"volume_molar": 10.921259550230099,
"formula_full": "Ca6 N4",
"formula_reduced": "Ca3N2",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.714913552,
"spacegroup": 167
},
{
"id": "jvasp-79357",
"created_at": "2022-09-04T14:37:04.025846Z",
"updated_at": "2022-09-04T14:37:04.025870Z",
"structure_string": "Ti3 Ag1\n1.0\n0.000000 0.000000 4.074660\n4.074485 0.000000 -0.000000\n0.000000 4.074485 0.000000\nTi Ag\n3 1\ndirect\n0.000000 0.500001 0.500001 Ti\n0.500000 0.500001 0.000000 Ti\n0.500000 0.000000 0.500001 Ti\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Ag"
],
"chemical_system": "Ag-Ti",
"density": 6.173011344024387,
"density_atomic": 0.059132081765303164,
"volume": 67.64517467651669,
"volume_molar": 10.184219090919273,
"formula_full": "Ti3 Ag1",
"formula_reduced": "Ti3Ag",
"formula_anonymous": "AB3",
"energy_above_hull": 2.820745565,
"spacegroup": 221
},
{
"id": "jvasp-50518",
"created_at": "2022-09-04T14:37:05.311301Z",
"updated_at": "2022-09-04T14:37:05.311329Z",
"structure_string": "Ti8 O16\n1.0\n2.968152 -5.140989 0.000000\n2.968152 5.140989 -0.000000\n0.000000 -0.000000 8.993922\nTi O\n8 16\ndirect\n0.335832 0.167916 0.210981 Ti\n0.832083 0.664167 0.210981 Ti\n0.167916 0.335832 0.710981 Ti\n0.664167 0.832083 0.710981 Ti\n0.666667 0.333333 0.490627 Ti\n0.832084 0.167916 0.210981 Ti\n0.333333 0.666667 0.990627 Ti\n0.167916 0.832084 0.710981 Ti\n0.170869 0.829130 0.102466 O\n0.333333 0.666667 0.597741 O\n0.476337 0.523663 0.838401 O\n0.047325 0.523663 0.838401 O\n0.829130 0.658260 0.602466 O\n0.170870 0.341739 0.102466 O\n0.952674 0.476337 0.338402 O\n0.000000 0.000000 0.313936 O\n0.829130 0.170869 0.602466 O\n0.000000 0.000000 0.813936 O\n0.476337 0.952674 0.838401 O\n0.666667 0.333333 0.097741 O\n0.523663 0.047325 0.338402 O\n0.341739 0.170870 0.602466 O\n0.523663 0.476337 0.338402 O\n0.658260 0.829130 0.102466 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Ti",
"O"
],
"chemical_system": "O-Ti",
"density": 3.8653427152344952,
"density_atomic": 0.08743781915974165,
"volume": 274.480770799578,
"volume_molar": 6.887340990284818,
"formula_full": "Ti8 O16",
"formula_reduced": "TiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.511578444444445,
"spacegroup": 186
},
{
"id": "jvasp-18652",
"created_at": "2022-09-04T14:37:04.024220Z",
"updated_at": "2022-09-04T14:37:04.024231Z",
"structure_string": "Sm1 Cd2\n1.0\n2.509388 -4.346387 0.000000\n2.509388 4.346387 -0.000000\n0.000000 -0.000000 3.410049\nSm Cd\n1 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.333333 0.666668 0.500000 Cd\n0.666668 0.333333 0.500001 Cd\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Sm",
"Cd"
],
"chemical_system": "Cd-Sm",
"density": 8.375375101104737,
"density_atomic": 0.040330576462156084,
"volume": 74.38524968307927,
"volume_molar": 14.931948135308291,
"formula_full": "Sm1 Cd2",
"formula_reduced": "SmCd2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2057209861111111,
"spacegroup": 191
}
]
}