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=-spacegroup&page=4133",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4131",
"results": [
{
"id": "jvasp-43400",
"created_at": "2022-09-04T14:38:10.483001Z",
"updated_at": "2022-09-04T14:38:10.483026Z",
"structure_string": "Ba2 Ti6 N2 O11\n1.0\n0.000000 3.945926 0.000000\n-7.606817 1.972964 -0.046175\n-1.457953 -0.000000 9.120372\nBa Ti N O\n2 6 2 11\ndirect\n0.545789 0.908420 0.764980 Ba\n0.454211 0.091580 0.235020 Ba\n0.121789 0.756420 0.087487 Ti\n0.172151 0.655697 0.441575 Ti\n0.242663 0.514672 0.757378 Ti\n0.757337 0.485328 0.242621 Ti\n0.827849 0.344303 0.558424 Ti\n0.878211 0.243580 0.912513 Ti\n0.703276 0.593448 0.420831 N\n0.296724 0.406552 0.579169 N\n0.873343 0.253314 0.382618 O\n0.837398 0.325206 0.090474 O\n0.362330 0.275341 0.890603 O\n0.243075 0.513851 0.230334 O\n0.074840 0.850318 0.288370 O\n0.637670 0.724659 0.109396 O\n0.162602 0.674795 0.909526 O\n0.126657 0.746686 0.617381 O\n0.925160 0.149682 0.711629 O\n0.756925 0.486149 0.769665 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Ba",
"Ti",
"N",
"O"
],
"chemical_system": "Ba-N-O-Ti",
"density": 4.641030212070092,
"density_atomic": 0.0766361392120499,
"volume": 274.0221547681784,
"volume_molar": 7.858095177964168,
"formula_full": "Ba2 Ti6 N2 O11",
"formula_reduced": "Ba2Ti6N2O11",
"formula_anonymous": "A2B2C6D11",
"energy_above_hull": 3.43630414,
"spacegroup": 12
},
{
"id": "jvasp-52093",
"created_at": "2022-09-04T14:38:10.336742Z",
"updated_at": "2022-09-04T14:38:10.336760Z",
"structure_string": "Tb6 Br7\n1.0\n3.693938 -0.000000 0.676528\n1.164653 9.735233 4.063801\n-0.042924 0.193167 10.657349\nTb Br\n6 7\ndirect\n0.128087 0.299780 0.444047 Tb\n0.871914 0.700220 0.555953 Tb\n0.319408 0.002073 0.359114 Tb\n0.680594 -0.002073 0.640887 Tb\n0.774363 0.300463 0.150812 Tb\n0.225638 0.699537 0.849188 Tb\n0.500000 0.500000 0.500000 Br\n0.048244 0.169793 0.733720 Br\n0.951757 0.830207 0.266280 Br\n0.163297 0.515325 0.158082 Br\n0.836704 0.484675 0.841918 Br\n0.397660 0.152450 0.052228 Br\n0.602340 0.847550 0.947772 Br\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Tb",
"Br"
],
"chemical_system": "Br-Tb",
"density": 6.59736574311006,
"density_atomic": 0.03413974756699022,
"volume": 380.7878184948773,
"volume_molar": 17.63967571284217,
"formula_full": "Tb6 Br7",
"formula_reduced": "Tb6Br7",
"formula_anonymous": "A6B7",
"energy_above_hull": 0.8280646153846155,
"spacegroup": 12
},
{
"id": "jvasp-109628",
"created_at": "2022-09-04T14:38:10.340491Z",
"updated_at": "2022-09-04T14:38:10.340526Z",
"structure_string": "Tl2 Cl6\n1.0\n6.541849 -0.000237 1.062306\n-3.524941 5.510951 1.062306\n0.075010 0.137015 6.309013\nTl Cl\n2 6\ndirect\n0.833609 0.166390 0.000001 Tl\n0.166391 0.833609 0.000001 Tl\n0.417592 0.074956 0.251976 Cl\n0.582408 0.925042 0.748025 Cl\n0.925043 0.582407 0.748025 Cl\n0.074956 0.417591 0.251976 Cl\n0.762744 0.762744 0.256890 Cl\n0.237255 0.237254 0.743111 Cl\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tl",
"Cl"
],
"chemical_system": "Cl-Tl",
"density": 4.575648702427816,
"density_atomic": 0.035470163622852956,
"volume": 225.5416717290164,
"volume_molar": 16.978046179973116,
"formula_full": "Tl2 Cl6",
"formula_reduced": "TlCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.10027453375,
"spacegroup": 12
},
{
"id": "jvasp-45989",
"created_at": "2022-09-04T14:38:10.409570Z",
"updated_at": "2022-09-04T14:38:10.409590Z",
"structure_string": "Dy2 Nb2 O8\n1.0\n4.014579 -0.006461 0.002900\n-1.997226 6.798755 0.013097\n-0.011010 -2.042973 6.911851\nDy Nb O\n2 2 8\ndirect\n0.799896 0.607671 0.211412 Dy\n0.190638 0.389638 0.788014 Dy\n0.897498 0.802760 0.793936 Nb\n0.092905 0.194551 0.205478 Nb\n0.945841 0.899967 0.131231 O\n0.861855 0.732547 0.527047 O\n0.236333 0.480633 0.138505 O\n0.371706 0.751738 0.810341 O\n0.618823 0.245553 0.189053 O\n0.754206 0.516681 0.860919 O\n0.128764 0.264839 0.472372 O\n0.044709 0.097343 0.868194 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Dy",
"Nb",
"O"
],
"chemical_system": "Dy-Nb-O",
"density": 5.62193674281394,
"density_atomic": 0.06359863346864007,
"volume": 188.68329939694527,
"volume_molar": 9.468978233580229,
"formula_full": "Dy2 Nb2 O8",
"formula_reduced": "DyNbO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.522743316666667,
"spacegroup": 12
},
{
"id": "jvasp-43057",
"created_at": "2022-09-04T14:38:10.420861Z",
"updated_at": "2022-09-04T14:38:10.420882Z",
"structure_string": "Li1 Co2 Ni1 O6\n1.0\n-2.822841 0.037408 -0.021126\n-0.078253 -5.773354 0.118621\n1.388443 1.525823 5.885003\nLi Co Ni O\n1 2 1 6\ndirect\n0.666650 0.833325 0.333329 Li\n0.338916 0.655460 0.677793 Co\n0.994419 0.011206 0.988874 Co\n0.666669 0.333336 0.333331 Ni\n0.178409 0.560130 0.356884 O\n0.154934 0.106542 0.309783 O\n0.837553 0.876805 0.675215 O\n0.828064 0.439559 0.655968 O\n0.495777 0.789861 0.991453 O\n0.505272 0.227106 0.010697 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"Co",
"Ni",
"O"
],
"chemical_system": "Co-Li-Ni-O",
"density": 4.820636647550929,
"density_atomic": 0.10386706375974136,
"volume": 96.27691048561226,
"volume_molar": 5.79793106882277,
"formula_full": "Li1 Co2 Ni1 O6",
"formula_reduced": "LiCo2NiO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.6023955200000004,
"spacegroup": 12
},
{
"id": "jvasp-5461",
"created_at": "2022-09-04T14:38:10.624996Z",
"updated_at": "2022-09-04T14:38:10.625013Z",
"structure_string": "Al2 Sb2 I12\n1.0\n6.896856 0.057715 2.377134\n2.925097 9.655246 1.807437\n0.096631 -0.023674 10.248752\nAl Sb I\n2 2 12\ndirect\n0.374415 0.795783 0.795782 Al\n0.625585 0.204218 0.204217 Al\n-0.000000 0.200494 0.799506 Sb\n0.000000 0.799507 0.200494 Sb\n0.066792 0.783285 0.454439 I\n0.933209 0.545561 0.216715 I\n0.933209 0.216715 0.545561 I\n0.066791 0.454439 0.783285 I\n0.533809 0.971638 0.290618 I\n0.466192 0.709382 0.028362 I\n0.466192 0.028362 0.709382 I\n0.533808 0.290618 0.971638 I\n0.018591 0.145055 0.145055 I\n0.981410 0.854945 0.854944 I\n0.442079 0.380140 0.380140 I\n0.557922 0.619860 0.619859 I\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Al",
"Sb",
"I"
],
"chemical_system": "Al-I-Sb",
"density": 4.453946933751461,
"density_atomic": 0.023575678172902726,
"volume": 678.6655248114977,
"volume_molar": 25.5438707460882,
"formula_full": "Al2 Sb2 I12",
"formula_reduced": "AlSbI6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.13751081875,
"spacegroup": 12
},
{
"id": "jvasp-43059",
"created_at": "2022-09-04T14:38:10.686887Z",
"updated_at": "2022-09-04T14:38:10.686911Z",
"structure_string": "Li2 Cr6 O16\n1.0\n1.960487 4.573546 0.074813\n-0.017171 -0.011272 12.311334\n4.975981 -0.020480 0.074813\nLi Cr O\n2 6 16\ndirect\n-0.000001 0.000001 -0.000001 Li\n0.000000 0.499999 0.000000 Li\n0.641884 0.127659 0.641883 Cr\n0.641862 0.627645 0.641861 Cr\n0.358140 0.372353 0.358139 Cr\n0.358117 0.872341 0.358116 Cr\n0.000012 0.250006 0.000012 Cr\n-0.000012 0.749994 -0.000012 Cr\n0.780995 0.635024 0.268686 O\n0.781015 0.135037 0.268708 O\n0.731292 0.864963 0.218985 O\n0.731316 0.364975 0.219007 O\n0.268686 0.635024 0.780994 O\n0.268708 0.135037 0.781014 O\n0.228749 0.770733 0.228748 O\n0.259829 0.985836 0.259828 O\n0.771230 0.729253 0.771229 O\n0.771252 0.229268 0.771251 O\n0.219007 0.364975 0.731315 O\n0.259852 0.485848 0.259852 O\n0.740149 0.514150 0.740149 O\n0.740173 0.014165 0.740172 O\n0.228772 0.270745 0.228771 O\n0.218985 0.864963 0.731291 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O",
"density": 3.442261919614233,
"density_atomic": 0.08550583736963434,
"volume": 280.682591251052,
"volume_molar": 7.042958639147415,
"formula_full": "Li2 Cr6 O16",
"formula_reduced": "LiCr3O8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 3.323447516666667,
"spacegroup": 12
},
{
"id": "jvasp-46461",
"created_at": "2022-09-04T14:38:10.678215Z",
"updated_at": "2022-09-04T14:38:10.678234Z",
"structure_string": "Li4 Cr2 Fe2 O8\n1.0\n-2.867713 0.000912 -0.002728\n-0.001555 -4.924232 0.009398\n1.424500 0.867096 9.530493\nLi Cr Fe O\n4 2 2 8\ndirect\n0.994888 -0.000028 -0.000385 Li\n0.746179 0.244738 0.502457 Li\n0.494865 0.499920 0.999602 Li\n0.243368 0.755375 0.496742 Li\n0.869678 0.624480 0.749159 Cr\n0.119967 0.375531 0.250048 Cr\n0.370123 0.124971 0.750053 Fe\n0.619517 0.875017 0.249142 Fe\n0.926693 0.306924 0.863249 O\n0.176256 0.056643 0.362683 O\n0.562667 0.189743 0.135391 O\n0.677077 0.561812 0.364331 O\n0.312553 0.438195 0.634876 O\n0.813379 0.943357 0.636510 O\n0.062951 0.693060 0.135947 O\n0.426974 0.810252 0.863812 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Fe",
"O"
],
"chemical_system": "Cr-Fe-Li-O",
"density": 4.582854743514303,
"density_atomic": 0.11888215522605423,
"volume": 134.58706203278385,
"volume_molar": 5.0656389502267265,
"formula_full": "Li4 Cr2 Fe2 O8",
"formula_reduced": "Li2CrFeO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.5555633625,
"spacegroup": 12
},
{
"id": "jvasp-44219",
"created_at": "2022-09-04T14:38:10.684432Z",
"updated_at": "2022-09-04T14:38:10.684452Z",
"structure_string": "Li1 Cr1 Co2 O6\n1.0\n2.856904 0.000794 -0.000629\n-0.001836 5.834908 0.078192\n-1.426509 -1.548788 5.872254\nLi Cr Co O\n1 1 2 6\ndirect\n0.666671 0.833290 0.333308 Li\n0.666536 0.333311 0.333339 Cr\n0.337931 0.659813 0.675788 Co\n0.995482 0.006880 0.990883 Co\n0.506089 0.221281 0.012044 O\n0.174269 0.563762 0.348633 O\n0.158943 0.102881 0.318046 O\n0.838510 0.876526 0.676922 O\n0.827326 0.445417 0.654622 O\n0.494888 0.790167 0.989743 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Co",
"O"
],
"chemical_system": "Co-Cr-Li-O",
"density": 4.611583120933323,
"density_atomic": 0.10180210369695475,
"volume": 98.22979719326895,
"volume_molar": 5.915536655241186,
"formula_full": "Li1 Cr1 Co2 O6",
"formula_reduced": "LiCr(CoO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 3.0204220200000003,
"spacegroup": 12
},
{
"id": "jvasp-10006",
"created_at": "2022-09-04T14:38:10.837451Z",
"updated_at": "2022-09-04T14:38:10.837478Z",
"structure_string": "Ba3 Y2 Cu2 Pt1 O10\n1.0\n5.855283 0.000000 0.000000\n-2.927642 6.059377 -1.707238\n0.000000 -0.009960 7.460535\nBa Y Cu Pt O\n3 2 2 1 10\ndirect\n0.000000 0.000000 0.000000 Ba\n0.847187 0.694374 0.460705 Ba\n0.152813 0.305626 0.539294 Ba\n0.311263 0.622526 0.126236 Y\n0.688737 0.377474 0.873763 Y\n0.410588 0.821174 0.800262 Cu\n0.589412 0.178826 0.199738 Cu\n0.500000 -0.000000 0.500000 Pt\n0.297209 0.036771 0.718715 O\n0.666844 0.333687 0.550170 O\n0.702791 0.963229 0.281284 O\n0.087209 0.632441 0.873014 O\n0.454768 0.367560 0.126985 O\n0.912791 0.367560 0.126985 O\n0.545232 0.632441 0.873014 O\n0.333156 0.666314 0.449829 O\n0.739561 0.036771 0.718715 O\n0.260439 0.963229 0.281284 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Ba",
"Y",
"Cu",
"Pt",
"O"
],
"chemical_system": "Ba-Cu-O-Pt-Y",
"density": 6.727385630026477,
"density_atomic": 0.06802836871532775,
"volume": 264.59549655413605,
"volume_molar": 8.852396248395014,
"formula_full": "Ba3 Y2 Cu2 Pt1 O10",
"formula_reduced": "Ba3Y2Cu2PtO10",
"formula_anonymous": "AB2C2D3E10",
"energy_above_hull": 2.030793117222222,
"spacegroup": 12
},
{
"id": "jvasp-11735",
"created_at": "2022-09-04T14:38:10.920889Z",
"updated_at": "2022-09-04T14:38:10.920916Z",
"structure_string": "Li4 Mn2 O6\n1.0\n4.864806 -0.000967 -0.820750\n-2.633774 4.090180 -0.820750\n-0.001993 -0.003654 5.008280\nLi Mn O\n4 2 6\ndirect\n0.338807 0.661194 0.500000 Li\n0.661195 0.338806 0.500000 Li\n0.500001 0.500000 0.000000 Li\n0.000001 0.000001 0.500000 Li\n0.167141 0.832860 0.000000 Mn\n0.832861 0.167139 0.000000 Mn\n0.068447 0.424262 0.774718 O\n0.575740 0.931554 0.225282 O\n0.779193 0.779192 0.771350 O\n0.220809 0.220809 0.228651 O\n0.424262 0.068446 0.774718 O\n0.931555 0.575739 0.225282 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.8947180010720968,
"density_atomic": 0.1204668330588294,
"volume": 99.61248001049266,
"volume_molar": 4.999003133965609,
"formula_full": "Li4 Mn2 O6",
"formula_reduced": "Li2MnO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.0130546235632187,
"spacegroup": 12
},
{
"id": "jvasp-46370",
"created_at": "2022-09-04T14:38:11.001284Z",
"updated_at": "2022-09-04T14:38:11.001308Z",
"structure_string": "V2 Si2 O7\n1.0\n3.154708 4.161252 -0.018724\n-3.154708 4.161252 0.018724\n-0.939252 0.000000 4.564364\nV Si O\n2 2 7\ndirect\n0.687326 0.687326 -0.000000 V\n0.312673 0.312673 0.000000 V\n0.230412 0.769588 0.405629 Si\n0.769588 0.230411 0.594370 Si\n0.075450 0.596757 0.207965 O\n0.403243 0.924550 0.207965 O\n0.399723 0.600276 0.728492 O\n0.000000 -0.000000 0.500000 O\n0.600276 0.399723 0.271507 O\n0.596757 0.075449 0.792034 O\n0.924550 0.403243 0.792034 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"V",
"Si",
"O"
],
"chemical_system": "O-Si-V",
"density": 3.746538998488474,
"density_atomic": 0.09190306284795036,
"volume": 119.69133192219093,
"volume_molar": 6.552709532611956,
"formula_full": "V2 Si2 O7",
"formula_reduced": "V2Si2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 3.2664054636363637,
"spacegroup": 12
}
]
}