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=updated_at&page=3517",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=3515",
"results": [
{
"id": "jvasp-12710",
"created_at": "2022-09-04T14:38:11.554902Z",
"updated_at": "2022-09-04T14:38:11.554929Z",
"structure_string": "Ni2 H4 Se2 O10\n1.0\n5.059000 -0.039829 -1.610594\n-1.291343 4.891574 -1.610594\n-0.009740 -0.012543 7.555105\nNi H Se O\n2 4 2 10\ndirect\n0.000000 0.000000 0.500000 Ni\n0.500000 0.499999 0.000000 Ni\n0.632126 0.031198 0.199372 H\n0.468802 0.867873 0.300630 H\n0.367874 0.968801 0.800630 H\n0.531198 0.132126 0.699372 H\n0.913845 0.586155 0.750001 Se\n0.086155 0.413845 0.250000 Se\n0.195470 0.293653 0.432011 O\n0.809473 0.239540 0.652069 O\n0.739541 0.309473 0.152069 O\n0.190527 0.760459 0.347932 O\n0.375576 0.124424 0.750001 O\n0.624424 0.875575 0.250001 O\n0.793654 0.695469 0.932012 O\n0.804531 0.706346 0.567991 O\n0.206347 0.304530 0.067990 O\n0.260460 0.690527 0.847933 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ni",
"H",
"Se",
"O"
],
"chemical_system": "H-Ni-O-Se",
"density": 3.9144541273984186,
"density_atomic": 0.09658311865486338,
"volume": 186.36797248515458,
"volume_molar": 6.235189797007822,
"formula_full": "Ni2 H4 Se2 O10",
"formula_reduced": "NiH2SeO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 2.4902170296296298,
"spacegroup": 15
},
{
"id": "jvasp-13052",
"created_at": "2022-09-04T14:38:11.555374Z",
"updated_at": "2022-09-04T14:38:11.555400Z",
"structure_string": "Rb2 Mn2 Br6\n1.0\n3.715175 -6.434873 0.000000\n3.715175 6.434873 0.000000\n0.000000 0.000000 6.404964\nRb Mn Br\n2 2 6\ndirect\n0.333334 0.666668 0.750000 Rb\n0.666668 0.333334 0.250000 Rb\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.666968 0.833484 0.250000 Br\n0.833484 0.666968 0.750000 Br\n0.833484 0.166517 0.750000 Br\n0.166517 0.833484 0.250000 Br\n0.166517 0.333033 0.250000 Br\n0.333033 0.166517 0.750000 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Mn",
"Br"
],
"chemical_system": "Br-Mn-Rb",
"density": 4.122222289050936,
"density_atomic": 0.03265382460175344,
"volume": 306.24284052358826,
"volume_molar": 18.442374923752805,
"formula_full": "Rb2 Mn2 Br6",
"formula_reduced": "RbMnBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.4270487268505745,
"spacegroup": 194
},
{
"id": "jvasp-9884",
"created_at": "2022-09-04T14:38:11.557213Z",
"updated_at": "2022-09-04T14:38:11.557229Z",
"structure_string": "Mg2 Cu4 O8\n1.0\n4.852598 0.000000 -2.547676\n-1.337562 4.664615 -2.547676\n0.374012 0.496331 6.607634\nMg Cu O\n2 4 8\ndirect\n0.375000 0.624999 0.749999 Mg\n0.625000 0.375000 0.249999 Mg\n-0.000000 -0.000000 0.500000 Cu\n0.000000 0.500000 -0.000000 Cu\n0.500000 -0.000000 0.499999 Cu\n0.000000 0.000000 0.000000 Cu\n0.746593 0.770048 0.493182 O\n0.776868 0.253408 0.006816 O\n0.229951 0.253408 0.006816 O\n0.253408 0.229951 0.506816 O\n0.253408 0.776867 0.506815 O\n0.223132 0.746591 0.993182 O\n0.746592 0.223132 0.493183 O\n0.770049 0.746591 0.993182 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Cu",
"O"
],
"chemical_system": "Cu-Mg-O",
"density": 4.4200794504148515,
"density_atomic": 0.08650559689512312,
"volume": 161.83923933815745,
"volume_molar": 6.9615619984693815,
"formula_full": "Mg2 Cu4 O8",
"formula_reduced": "Mg(CuO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.11736485,
"spacegroup": 141
},
{
"id": "jvasp-36756",
"created_at": "2022-09-04T14:38:11.557692Z",
"updated_at": "2022-09-04T14:38:11.557720Z",
"structure_string": "Li2 Ag2 O4\n1.0\n0.000000 4.708445 0.063284\n3.674462 0.000000 0.000000\n0.000000 -0.787030 -5.280700\nLi Ag O\n2 2 4\ndirect\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Ag\n0.249289 0.319352 0.252992 O\n0.750710 0.680647 0.747009 O\n0.249289 0.180647 0.752992 O\n0.750710 0.819352 0.247009 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Ag",
"O"
],
"chemical_system": "Ag-Li-O",
"density": 5.347328842304541,
"density_atomic": 0.087740087705014,
"volume": 91.17839073624303,
"volume_molar": 6.863613791049195,
"formula_full": "Li2 Ag2 O4",
"formula_reduced": "LiAgO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.073536065,
"spacegroup": 14
},
{
"id": "jvasp-28695",
"created_at": "2022-09-04T14:38:11.562779Z",
"updated_at": "2022-09-04T14:38:11.562810Z",
"structure_string": "Te2 Mo2 W2 Se2 S4\n1.0\n3.312071 -0.000000 0.000000\n-1.656034 2.868301 -0.000026\n0.000000 -0.000349 34.660863\nTe Mo W Se S\n2 2 2 2 4\ndirect\n0.333358 0.666716 0.717829 Te\n0.333336 0.666673 0.607446 Te\n0.333322 0.666642 0.099005 Mo\n0.666676 0.333352 0.662676 Mo\n0.333340 0.666679 0.461539 W\n0.666682 0.333363 0.279718 W\n0.666668 0.333334 0.412912 Se\n0.666638 0.333275 0.510178 Se\n0.333353 0.666707 0.324002 S\n0.666616 0.333229 0.054989 S\n0.666662 0.333322 0.143070 S\n0.333353 0.666706 0.235385 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.551994336273427,
"density_atomic": 0.03644328454228104,
"volume": 329.2787725013576,
"volume_molar": 16.524692644026608,
"formula_full": "Te2 Mo2 W2 Se2 S4",
"formula_reduced": "TeMoWSeS2",
"formula_anonymous": "ABCDE2",
"energy_above_hull": 3.6105295055555553,
"spacegroup": 156
},
{
"id": "jvasp-53399",
"created_at": "2022-09-04T14:38:11.564973Z",
"updated_at": "2022-09-04T14:38:11.565000Z",
"structure_string": "Ba2 C2 O6\n1.0\n5.469723 -0.282214 7.376912\n2.734862 4.073757 5.515752\n-0.000000 -0.282214 7.376912\nBa C O\n2 2 6\ndirect\n0.249999 0.500001 0.500000 Ba\n0.749999 0.500001 0.500000 Ba\n0.000000 0.000000 0.000000 C\n0.499999 0.000000 0.000000 C\n-0.000001 0.762574 0.237426 O\n0.237426 0.000001 0.762573 O\n0.762573 0.237427 0.000000 O\n0.262573 0.000000 0.237426 O\n0.499999 0.237428 0.762573 O\n0.737425 0.762575 -0.000000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"C",
"O"
],
"chemical_system": "Ba-C-O",
"density": 3.7906856342686277,
"density_atomic": 0.05784057151882765,
"volume": 172.88902473491132,
"volume_molar": 10.411620428127575,
"formula_full": "Ba2 C2 O6",
"formula_reduced": "BaCO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.310023294,
"spacegroup": 167
},
{
"id": "jvasp-11721",
"created_at": "2022-09-04T14:38:11.565436Z",
"updated_at": "2022-09-04T14:38:11.565461Z",
"structure_string": "V2 B2 O6\n1.0\n4.211110 -0.003558 3.595796\n1.655810 3.871919 3.595796\n-0.005395 -0.003558 5.537434\nV B O\n2 2 6\ndirect\n0.500000 0.499999 0.500001 V\n0.000000 0.000000 0.000000 V\n0.749999 0.749999 0.750001 B\n0.250000 0.250000 0.250000 B\n0.451385 0.048613 0.750001 O\n0.750000 0.451386 0.048615 O\n0.951386 0.249999 0.548615 O\n0.548614 0.951386 0.250001 O\n0.249999 0.548613 0.951387 O\n0.048614 0.750000 0.451387 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"V",
"B",
"O"
],
"chemical_system": "B-O-V",
"density": 4.030692833861909,
"density_atomic": 0.11058425875291948,
"volume": 90.4287835608067,
"volume_molar": 5.445748633587519,
"formula_full": "V2 B2 O6",
"formula_reduced": "VBO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.919631456666667,
"spacegroup": 167
},
{
"id": "jvasp-19043",
"created_at": "2022-09-04T14:38:11.566169Z",
"updated_at": "2022-09-04T14:38:11.566195Z",
"structure_string": "Sr4 Hf4 O12\n1.0\n5.783475 -0.000000 0.000000\n0.000000 5.808851 0.000000\n0.000000 0.000000 8.182323\nSr Hf O\n4 4 12\ndirect\n0.005582 0.526023 0.250000 Sr\n0.505583 0.973977 0.750000 Sr\n0.494418 0.026023 0.250000 Sr\n0.994418 0.473977 0.750000 Sr\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.000000 Hf\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.500000 Hf\n0.431125 0.514551 0.750000 O\n0.931126 0.985448 0.250000 O\n0.217928 0.281983 0.036183 O\n0.717928 0.218017 0.963816 O\n0.282072 0.781983 0.463817 O\n0.717928 0.218017 0.536183 O\n0.782073 0.718017 0.963816 O\n0.282072 0.781983 0.036183 O\n0.568875 0.485448 0.250000 O\n0.217928 0.281983 0.463817 O\n0.782073 0.718017 0.536183 O\n0.068875 0.014551 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sr",
"Hf",
"O"
],
"chemical_system": "Hf-O-Sr",
"density": 7.589840408731365,
"density_atomic": 0.07275691513801869,
"volume": 274.8879602998605,
"volume_molar": 8.277069950775259,
"formula_full": "Sr4 Hf4 O12",
"formula_reduced": "SrHfO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.853119962,
"spacegroup": 62
},
{
"id": "jvasp-14741",
"created_at": "2022-09-04T14:38:11.567679Z",
"updated_at": "2022-09-04T14:38:11.567734Z",
"structure_string": "Ti1 N1\n1.0\n2.604148 -0.000000 1.503505\n0.868050 2.455213 1.503505\n0.000000 0.000000 3.007010\nTi N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500001 0.499999 0.500002 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ti",
"N"
],
"chemical_system": "N-Ti",
"density": 5.343988006814602,
"density_atomic": 0.10402561349300549,
"volume": 19.226034174116904,
"volume_molar": 5.789094202655116,
"formula_full": "Ti1 N1",
"formula_reduced": "TiN",
"formula_anonymous": "AB",
"energy_above_hull": 2.0368607916666672,
"spacegroup": 225
},
{
"id": "jvasp-38183",
"created_at": "2022-09-04T14:38:11.568457Z",
"updated_at": "2022-09-04T14:38:11.568490Z",
"structure_string": "Rb3 Tl1\n1.0\n0.000000 4.738295 4.738295\n4.738295 0.000000 4.738295\n4.738295 4.738295 -0.000000\nRb Tl\n3 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500002 0.500002 0.500002 Rb\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Tl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Tl"
],
"chemical_system": "Rb-Tl",
"density": 3.5962738042796505,
"density_atomic": 0.018800253625685843,
"volume": 212.76308711787806,
"volume_molar": 32.032231478900115,
"formula_full": "Rb3 Tl1",
"formula_reduced": "Rb3Tl",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0001599999999999,
"spacegroup": 225
},
{
"id": "jvasp-46500",
"created_at": "2022-09-04T14:38:11.581319Z",
"updated_at": "2022-09-04T14:38:11.581349Z",
"structure_string": "Li1 Al2 Fe1 O6\n1.0\n4.901620 0.021512 -0.047411\n2.459826 4.239764 0.047411\n-0.883921 1.526993 4.885337\nLi Al Fe O\n1 2 1 6\ndirect\n0.500001 0.499999 0.500000 Li\n0.330954 0.330953 0.000000 Al\n0.669047 0.669045 0.000000 Al\n0.000000 0.000000 0.000000 Fe\n0.081412 0.595358 0.201090 O\n0.256625 0.743375 0.800979 O\n0.595360 0.081410 0.798910 O\n0.404642 0.918588 0.201090 O\n0.743377 0.256623 0.199022 O\n0.918591 0.404639 0.798910 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"Al",
"Fe",
"O"
],
"chemical_system": "Al-Fe-Li-O",
"density": 3.513201210881948,
"density_atomic": 0.09944743594974502,
"volume": 100.55563428556792,
"volume_molar": 6.0556018387877195,
"formula_full": "Li1 Al2 Fe1 O6",
"formula_reduced": "LiAl2FeO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.39655921,
"spacegroup": 12
},
{
"id": "jvasp-13246",
"created_at": "2022-09-04T14:38:11.587515Z",
"updated_at": "2022-09-04T14:38:11.587532Z",
"structure_string": "Pr4 S4 O4\n1.0\n0.000000 5.727050 -0.005394\n5.752010 0.000000 -0.000000\n-0.000000 -1.447666 -6.886364\nPr S O\n4 4 4\ndirect\n0.714188 0.000022 0.321324 Pr\n0.285811 0.999978 0.678675 Pr\n0.214188 0.499978 0.321324 Pr\n0.785811 0.500022 0.678674 Pr\n0.853911 0.000058 0.880554 S\n0.353911 0.499942 0.880554 S\n0.146088 0.999942 0.119445 S\n0.646088 0.500058 0.119445 S\n0.499985 0.756100 0.499981 O\n0.999985 0.743900 0.499980 O\n0.000015 0.256100 0.500019 O\n0.500015 0.243900 0.500018 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Pr",
"S",
"O"
],
"chemical_system": "O-Pr-S",
"density": 5.531973622564351,
"density_atomic": 0.05288770034595437,
"volume": 226.8958552083828,
"volume_molar": 11.386656482712171,
"formula_full": "Pr4 S4 O4",
"formula_reduced": "PrSO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8838177833333336,
"spacegroup": 12
}
]
}