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=nsites&page=3498",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=3496",
"results": [
{
"id": "jvasp-29802",
"created_at": "2022-09-04T14:37:29.104518Z",
"updated_at": "2022-09-04T14:37:29.104533Z",
"structure_string": "Te2 H4 O8\n1.0\n5.237916 0.000000 -2.500352\n0.000000 4.922497 0.000000\n0.212132 0.000000 5.272531\nTe H O\n2 4 8\ndirect\n0.998506 0.500566 0.523362 Te\n0.998506 0.999435 0.023362 Te\n0.388988 0.297735 0.515953 H\n0.604894 0.761900 0.742103 H\n0.604894 0.738101 0.242104 H\n0.388988 0.202265 0.015954 H\n0.338696 0.357892 0.667404 O\n0.661820 0.857014 0.923032 O\n0.661820 0.642986 0.423032 O\n0.338696 0.142108 0.167404 O\n0.880468 0.188339 0.670839 O\n0.114704 0.683367 0.879567 O\n0.114704 0.816634 0.379567 O\n0.880468 0.311662 0.170839 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Te",
"H",
"O"
],
"chemical_system": "H-O-Te",
"density": 4.640766503888942,
"density_atomic": 0.10104226416083845,
"volume": 138.5558817022834,
"volume_molar": 5.960021590978993,
"formula_full": "Te2 H4 O8",
"formula_reduced": "Te(HO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.424578823809523,
"spacegroup": 7
},
{
"id": "jvasp-29801",
"created_at": "2022-09-04T14:37:29.069549Z",
"updated_at": "2022-09-04T14:37:29.069579Z",
"structure_string": "Te2 H4 O8\n1.0\n5.284627 0.000000 -2.689460\n0.000000 4.914617 0.000000\n0.016334 0.000000 5.279042\nTe H O\n2 4 8\ndirect\n-0.000000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n0.398089 0.259016 0.806912 H\n0.601910 0.759017 0.693087 H\n0.601911 0.740984 0.193087 H\n0.398089 0.240984 0.306912 H\n0.341284 0.362290 0.626205 O\n0.658715 0.862290 0.873794 O\n0.658716 0.637711 0.373795 O\n0.341284 0.137710 0.126205 O\n0.883606 0.182805 0.634526 O\n0.116393 0.682806 0.865473 O\n0.116393 0.817195 0.365473 O\n0.883607 0.317195 0.134527 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Te",
"H",
"O"
],
"chemical_system": "H-O-Te",
"density": 4.682439972272784,
"density_atomic": 0.10194961030665506,
"volume": 137.32274167492437,
"volume_molar": 5.906977713682234,
"formula_full": "Te2 H4 O8",
"formula_reduced": "Te(HO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.4235573952380944,
"spacegroup": 14
},
{
"id": "jvasp-9658",
"created_at": "2022-09-04T14:37:28.589825Z",
"updated_at": "2022-09-04T14:37:28.589843Z",
"structure_string": "Y2 V4 O8\n1.0\n5.138421 0.107136 -2.545816\n-1.382551 4.931096 -2.582641\n-0.046990 -0.015051 6.365147\nY V O\n2 4 8\ndirect\n0.875000 0.125001 0.750001 Y\n0.125000 0.875001 0.250000 Y\n0.500000 0.000000 -0.000000 V\n0.500000 0.500001 0.000000 V\n0.000000 0.500000 0.500001 V\n0.500000 0.500001 0.500000 V\n0.727670 0.518427 0.851511 O\n0.123841 0.833085 0.851511 O\n0.272331 0.481575 0.148490 O\n0.876159 0.166916 0.148489 O\n0.518435 0.123842 0.351509 O\n0.833074 0.727668 0.351509 O\n0.166927 0.272333 0.648492 O\n0.481565 0.876160 0.648492 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Y",
"V",
"O"
],
"chemical_system": "O-V-Y",
"density": 5.242870278009437,
"density_atomic": 0.08674445586903445,
"volume": 161.3935998530788,
"volume_molar": 6.94239268627397,
"formula_full": "Y2 V4 O8",
"formula_reduced": "YV2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.0831011214285717,
"spacegroup": 88
},
{
"id": "jvasp-50155",
"created_at": "2022-09-04T14:37:13.565651Z",
"updated_at": "2022-09-04T14:37:13.565679Z",
"structure_string": "Cd2 Ag4 O8\n1.0\n-6.892728 0.000000 0.000000\n-3.446364 0.000000 6.303271\n3.446364 4.839070 0.000000\nCd Ag O\n2 4 8\ndirect\n0.875000 0.250000 0.250000 Cd\n0.125000 0.750000 0.750000 Cd\n0.496125 0.007752 0.250000 Ag\n0.746125 0.507752 0.750000 Ag\n0.253875 0.492248 0.250000 Ag\n0.503876 0.992248 0.750000 Ag\n0.917768 0.505573 0.163845 O\n0.740505 0.005573 0.663845 O\n0.746076 0.994427 0.163845 O\n0.576660 0.505573 0.336155 O\n0.253925 0.005573 0.836155 O\n0.423340 0.494427 0.663845 O\n0.259496 0.994427 0.336155 O\n0.082232 0.494427 0.836155 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cd",
"Ag",
"O"
],
"chemical_system": "Ag-Cd-O",
"density": 6.194507034444375,
"density_atomic": 0.06658999941141162,
"volume": 210.24177990307658,
"volume_molar": 9.04361137292333,
"formula_full": "Cd2 Ag4 O8",
"formula_reduced": "Cd(AgO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.1258926099999995,
"spacegroup": 70
},
{
"id": "jvasp-34341",
"created_at": "2022-09-04T14:37:15.496374Z",
"updated_at": "2022-09-04T14:37:15.496394Z",
"structure_string": "Mg4 Si2 O8\n1.0\n4.753876 -0.000033 -0.000058\n0.000000 5.291152 -3.043863\n-0.000097 -0.009687 6.103902\nMg Si O\n4 2 8\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 -0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.500000 -0.000000 0.500000 Mg\n0.097775 0.666670 0.333340 Si\n0.902225 0.333330 0.666659 Si\n0.241927 0.333326 0.666653 O\n0.741696 0.190207 0.809804 O\n0.741696 0.619596 0.809804 O\n0.258332 0.809810 0.619622 O\n0.758073 0.666674 0.333347 O\n0.258304 0.809792 0.190196 O\n0.258304 0.380403 0.190196 O\n0.741669 0.190189 0.380378 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Si",
"O"
],
"chemical_system": "Mg-O-Si",
"density": 3.0460914084926576,
"density_atomic": 0.0912681138255971,
"volume": 153.3942076063103,
"volume_molar": 6.5982964998133085,
"formula_full": "Mg4 Si2 O8",
"formula_reduced": "Mg2SiO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.4015000999999998,
"spacegroup": 164
},
{
"id": "jvasp-10877",
"created_at": "2022-09-04T14:37:15.808762Z",
"updated_at": "2022-09-04T14:37:15.808786Z",
"structure_string": "Ba4 Ge2 Se8\n1.0\n0.000000 7.097853 0.045375\n7.112894 0.000000 0.000000\n0.000000 -2.947405 -8.719041\nBa Ge Se\n4 2 8\ndirect\n0.717434 0.250000 0.924262 Ba\n0.282566 0.750000 0.075738 Ba\n0.782579 0.250000 0.451370 Ba\n0.217421 0.750000 0.548630 Ba\n0.792480 0.750000 0.709905 Ge\n0.207520 0.250000 0.290095 Ge\n0.011619 0.011098 0.771903 Se\n0.988381 0.511097 0.228097 Se\n0.988381 0.988902 0.228097 Se\n0.011619 0.488902 0.771903 Se\n0.627913 0.750000 0.437158 Se\n0.372087 0.250000 0.562841 Se\n0.588869 0.750000 0.871765 Se\n0.411131 0.250000 0.128235 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ba",
"Ge",
"Se"
],
"chemical_system": "Ba-Ge-Se",
"density": 5.013925426052604,
"density_atomic": 0.031873188948819464,
"volume": 439.2406427383395,
"volume_molar": 18.894064129165375,
"formula_full": "Ba4 Ge2 Se8",
"formula_reduced": "Ba2GeSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.7549644795238095,
"spacegroup": 11
},
{
"id": "jvasp-58595",
"created_at": "2022-09-04T14:37:29.474571Z",
"updated_at": "2022-09-04T14:37:29.474597Z",
"structure_string": "Mg2 Ni4 O8\n1.0\n5.790305 -0.073922 0.031583\n2.831135 5.051512 0.031583\n2.899600 1.674085 4.735027\nMg Ni O\n2 4 8\ndirect\n0.124999 0.625000 0.625000 Mg\n0.625000 0.125001 0.625000 Mg\n0.997689 0.997689 0.002310 Ni\n0.252311 0.252312 0.247689 Ni\n0.625000 0.625000 0.124999 Ni\n0.625000 0.625001 0.625000 Ni\n0.389357 0.389358 0.373532 O\n0.405912 0.854459 0.369814 O\n0.389357 0.389358 0.847753 O\n0.854459 0.405913 0.369814 O\n0.395541 0.844088 0.880185 O\n0.844088 0.395542 0.880185 O\n0.860643 0.860643 0.402246 O\n0.860643 0.860644 0.876467 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Ni",
"O"
],
"chemical_system": "Mg-Ni-O",
"density": 4.919288434115641,
"density_atomic": 0.10081828805794277,
"volume": 138.8636949672648,
"volume_molar": 5.973262268189801,
"formula_full": "Mg2 Ni4 O8",
"formula_reduced": "Mg(NiO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.5598896928571429,
"spacegroup": 74
},
{
"id": "jvasp-10857",
"created_at": "2022-09-04T14:37:15.051110Z",
"updated_at": "2022-09-04T14:37:15.051132Z",
"structure_string": "Zn2 Cr4 Se8\n1.0\n6.468109 0.000000 3.734364\n2.156036 6.098192 3.734364\n0.000000 0.000000 7.468730\nZn Cr Se\n2 4 8\ndirect\n0.125000 0.125000 0.125000 Zn\n0.875001 0.875000 0.874999 Zn\n0.500000 -0.000000 0.500000 Cr\n0.000000 0.500000 0.500000 Cr\n0.500000 0.500000 0.499999 Cr\n0.500000 0.500000 -0.000001 Cr\n0.260114 0.260114 0.260113 Se\n0.739887 0.739886 0.280340 Se\n0.280342 0.739886 0.739886 Se\n0.739887 0.280341 0.739886 Se\n0.719659 0.260114 0.260113 Se\n0.260114 0.719658 0.260113 Se\n0.260114 0.260114 0.719658 Se\n0.739887 0.739886 0.739885 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zn",
"Cr",
"Se"
],
"chemical_system": "Cr-Se-Zn",
"density": 5.470305457272093,
"density_atomic": 0.04752289095132722,
"volume": 294.59487248658235,
"volume_molar": 12.672084209203216,
"formula_full": "Zn2 Cr4 Se8",
"formula_reduced": "Zn(CrSe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.127796952380953,
"spacegroup": 227
},
{
"id": "jvasp-21839",
"created_at": "2022-09-04T14:37:33.187520Z",
"updated_at": "2022-09-04T14:37:33.187545Z",
"structure_string": "Sr6 Cr2 N6\n1.0\n3.870265 -6.703497 0.000000\n3.870265 6.703497 -0.000000\n-0.000000 -0.000000 5.243598\nSr Cr N\n6 2 6\ndirect\n0.913427 0.270758 0.250000 Sr\n0.270758 0.357332 0.750000 Sr\n0.642669 0.913427 0.750000 Sr\n0.357332 0.086574 0.250000 Sr\n0.729243 0.642669 0.250000 Sr\n0.086574 0.729243 0.750000 Sr\n0.333334 0.666668 0.250000 Cr\n0.666668 0.333334 0.750000 Cr\n0.880682 0.314653 0.750000 N\n0.314653 0.433972 0.250000 N\n0.566030 0.880682 0.250000 N\n0.433971 0.119319 0.750000 N\n0.685349 0.566030 0.750000 N\n0.119319 0.685348 0.250000 N\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sr",
"Cr",
"N"
],
"chemical_system": "Cr-N-Sr",
"density": 4.3560732328949205,
"density_atomic": 0.051454875177719614,
"volume": 272.0830621325094,
"volume_molar": 11.703732132669982,
"formula_full": "Sr6 Cr2 N6",
"formula_reduced": "Sr3CrN3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.8780608685714286,
"spacegroup": 176
},
{
"id": "jvasp-51003",
"created_at": "2022-09-04T14:37:15.976199Z",
"updated_at": "2022-09-04T14:37:15.976221Z",
"structure_string": "Mo2 H4 O8\n1.0\n3.746579 0.071035 -0.361701\n1.719003 5.670622 -0.345795\n0.711786 2.251872 6.887882\nMo H O\n2 4 8\ndirect\n0.231165 0.120939 0.767368 Mo\n0.853876 0.906024 0.211467 Mo\n0.680472 0.621365 0.812399 H\n0.788697 0.480226 0.167555 H\n0.251521 0.623713 0.811914 H\n0.353418 0.351581 0.174461 H\n0.194293 0.206518 0.526538 O\n0.897050 0.812080 0.451731 O\n0.300735 0.943901 0.135036 O\n0.760718 0.045170 0.835619 O\n0.077287 0.403700 0.822700 O\n0.935530 0.598644 0.160989 O\n0.414923 0.728809 0.808960 O\n0.621683 0.257290 0.170824 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mo",
"H",
"O"
],
"chemical_system": "H-Mo-O",
"density": 3.6230597776325446,
"density_atomic": 0.0943048780380407,
"volume": 148.4546747873708,
"volume_molar": 6.385821057496929,
"formula_full": "Mo2 H4 O8",
"formula_reduced": "Mo(HO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.159858557142857,
"spacegroup": 1
},
{
"id": "jvasp-34178",
"created_at": "2022-09-04T14:37:29.126003Z",
"updated_at": "2022-09-04T14:37:29.126017Z",
"structure_string": "Al4 Fe2 O8\n1.0\n5.017822 0.000000 2.897041\n1.672607 4.730848 2.897041\n-0.000000 -0.000000 5.794081\nAl Fe O\n4 2 8\ndirect\n0.500000 0.500000 0.500000 Al\n0.500000 0.500000 -0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.875000 0.875000 0.874999 Fe\n0.125000 0.125000 0.125000 Fe\n0.735006 0.735006 0.735005 O\n0.264994 0.264994 0.705017 O\n0.264994 0.705017 0.264994 O\n0.705017 0.264994 0.264994 O\n0.735006 0.294983 0.735006 O\n0.294983 0.735006 0.735005 O\n0.264994 0.264994 0.264994 O\n0.735006 0.735006 0.294983 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Al",
"Fe",
"O"
],
"chemical_system": "Al-Fe-O",
"density": 4.196664422738448,
"density_atomic": 0.10178627651562233,
"volume": 137.54309990749348,
"volume_molar": 5.91645648721192,
"formula_full": "Al4 Fe2 O8",
"formula_reduced": "Al2FeO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.3037335857142853,
"spacegroup": 227
},
{
"id": "jvasp-56439",
"created_at": "2022-09-04T14:37:07.899151Z",
"updated_at": "2022-09-04T14:37:07.899178Z",
"structure_string": "Np6 Se8\n1.0\n7.109834 -0.000000 -2.513706\n-3.554917 6.157297 -2.513706\n0.000000 0.000000 7.541118\nNp Se\n6 8\ndirect\n0.125000 0.750000 0.875000 Np\n0.625000 0.375000 0.249999 Np\n0.375000 0.250000 0.625000 Np\n0.749999 0.875000 0.124999 Np\n0.250000 0.625000 0.375000 Np\n0.874999 0.125000 0.750000 Np\n0.649454 0.649455 0.649454 Se\n-0.000000 0.850546 0.500000 Se\n0.850545 0.500000 -0.000001 Se\n-0.000000 0.350546 0.500000 Se\n0.500000 -0.000000 0.850545 Se\n0.500000 -0.000000 0.350545 Se\n0.350545 0.500000 -0.000000 Se\n0.149454 0.149455 0.149454 Se\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Np",
"Se"
],
"chemical_system": "Np-Se",
"density": 10.329910797071735,
"density_atomic": 0.04240750634548257,
"volume": 330.13023416056956,
"volume_molar": 14.200648137476504,
"formula_full": "Np6 Se8",
"formula_reduced": "Np3Se4",
"formula_anonymous": "A3B4",
"energy_above_hull": 4.182830495238095,
"spacegroup": 220
}
]
}