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=478",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=476",
"results": [
{
"id": "jvasp-119486",
"created_at": "2022-09-04T14:38:49.876700Z",
"updated_at": "2022-09-04T14:38:49.876734Z",
"structure_string": "Sm4 U4 Se6 O8\n1.0\n3.978779 -0.000000 0.000000\n0.000000 7.046214 0.000000\n-0.000000 -0.000000 14.956055\nSm U Se O\n4 4 6 8\ndirect\n-0.000000 0.707429 0.152885 Sm\n-0.000000 0.292570 0.847115 Sm\n-0.000000 0.207429 0.347115 Sm\n-0.000000 0.792570 0.652885 Sm\n0.500000 0.792432 0.424134 U\n0.500000 0.207567 0.575866 U\n0.500000 0.292433 0.075866 U\n0.500000 0.707567 0.924134 U\n0.000000 0.000000 0.000000 Se\n-0.000000 0.500000 0.500000 Se\n0.500000 0.996886 0.777762 Se\n0.500000 0.003113 0.222238 Se\n0.500000 0.496887 0.722238 Se\n0.500000 0.503113 0.277762 Se\n-0.000000 0.887488 0.388861 O\n-0.000000 0.112511 0.611139 O\n-0.000000 0.387489 0.111139 O\n-0.000000 0.612511 0.888861 O\n0.500000 0.638015 0.067220 O\n0.500000 0.361985 0.932780 O\n0.500000 0.138015 0.432780 O\n0.500000 0.861985 0.567220 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Sm",
"U",
"Se",
"O"
],
"chemical_system": "O-Se-Sm-U",
"density": 8.535644345006675,
"density_atomic": 0.0524686610073943,
"volume": 419.297911888767,
"volume_molar": 11.477595662582873,
"formula_full": "Sm4 U4 Se6 O8",
"formula_reduced": "Sm2U2Se3O4",
"formula_anonymous": "A2B2C3D4",
"energy_above_hull": 2.911084895454545,
"spacegroup": 55
},
{
"id": "jvasp-119070",
"created_at": "2022-09-04T14:38:50.640380Z",
"updated_at": "2022-09-04T14:38:50.640403Z",
"structure_string": "Ti4 Cr8 Si10\n1.0\n6.776134 -0.003213 -5.978118\n-0.569256 4.592145 -7.761575\n-0.006577 0.003213 9.036251\nTi Cr Si\n4 8 10\ndirect\n0.742915 0.358093 0.384822 Ti\n0.257083 0.641906 0.615175 Ti\n0.973268 0.858092 0.115175 Ti\n0.026731 0.141907 0.884822 Ti\n0.188528 0.436582 0.751944 Cr\n0.684636 0.936582 0.748052 Cr\n0.315362 0.063417 0.251945 Cr\n0.811471 0.563417 0.248053 Cr\n0.692257 0.942258 0.249998 Cr\n0.692257 0.442258 0.749998 Cr\n0.307741 0.557741 0.249999 Cr\n0.307741 0.057741 0.749999 Cr\n0.352776 0.935240 0.417532 Si\n0.418419 0.212013 0.206406 Si\n0.581579 0.787986 0.793591 Si\n0.005604 0.712012 0.293592 Si\n0.994394 0.287987 0.706405 Si\n-0.000000 0.250000 0.249999 Si\n-0.000001 0.749999 0.749998 Si\n0.517706 0.435241 0.082465 Si\n0.482292 0.564758 0.917532 Si\n0.647223 0.064759 0.582465 Si\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ti",
"Cr",
"Si"
],
"chemical_system": "Cr-Si-Ti",
"density": 5.246209774267512,
"density_atomic": 0.07824625894520082,
"volume": 281.16360189702533,
"volume_molar": 7.696394487329498,
"formula_full": "Ti4 Cr8 Si10",
"formula_reduced": "Ti2Cr4Si5",
"formula_anonymous": "A2B4C5",
"energy_above_hull": 4.629668115151516,
"spacegroup": 72
},
{
"id": "jvasp-119122",
"created_at": "2022-09-04T14:38:51.164954Z",
"updated_at": "2022-09-04T14:38:51.164980Z",
"structure_string": "Y3 Sn4 Bi1 O14\n1.0\n6.449330 -0.000156 3.690000\n2.139972 6.083944 3.690000\n-0.000220 -0.000156 7.430340\nY Sn Bi O\n3 4 1 14\ndirect\n0.000000 0.499999 0.500000 Y\n0.500000 0.499999 0.000000 Y\n0.500000 -0.000001 0.500000 Y\n0.000000 0.000000 0.000000 Sn\n0.500000 -0.000000 0.000000 Sn\n0.000000 -0.000000 0.500000 Sn\n-0.000000 0.500000 0.000000 Sn\n0.500000 0.499999 0.500000 Bi\n0.087905 0.087905 0.662472 O\n0.662621 0.662620 0.081447 O\n0.662472 0.087905 0.087905 O\n0.081447 0.662620 0.662621 O\n0.337380 0.918552 0.337380 O\n0.912095 0.337527 0.912095 O\n0.918553 0.337379 0.337380 O\n0.337380 0.337379 0.918553 O\n0.337529 0.912093 0.912095 O\n0.087905 0.662471 0.087905 O\n0.629873 0.629871 0.629873 O\n0.370128 0.370127 0.370128 O\n0.912095 0.912093 0.337529 O\n0.662621 0.081446 0.662621 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Y",
"Sn",
"Bi",
"O"
],
"chemical_system": "Bi-O-Sn-Y",
"density": 6.689440628510044,
"density_atomic": 0.07545698342441721,
"volume": 291.5568447291122,
"volume_molar": 7.980892538637171,
"formula_full": "Y3 Sn4 Bi1 O14",
"formula_reduced": "Y3Sn4BiO14",
"formula_anonymous": "AB3C4D14",
"energy_above_hull": 2.4867493840909094,
"spacegroup": 166
},
{
"id": "jvasp-119397",
"created_at": "2022-09-04T14:38:51.121881Z",
"updated_at": "2022-09-04T14:38:51.121916Z",
"structure_string": "Li2 Mn4 B4 O12\n1.0\n5.149711 0.001980 0.089847\n2.450512 4.529182 -0.090201\n0.084727 -0.141665 10.405046\nLi Mn B O\n2 4 4 12\ndirect\n0.513683 0.545527 0.255792 Li\n0.454439 0.486345 0.755814 Li\n0.951774 0.714963 0.625534 Mn\n0.015749 0.317169 0.386456 Mn\n0.285048 0.048222 0.125531 Mn\n0.682829 0.984259 0.886460 Mn\n0.004435 0.361461 0.877227 B\n0.638535 0.995560 0.377221 B\n0.329060 0.036502 0.634659 B\n0.963506 0.670943 0.134658 B\n0.299942 0.791307 0.641093 O\n0.208709 0.700041 0.141080 O\n0.941355 0.438661 0.196091 O\n0.561338 0.058656 0.696093 O\n0.406293 0.973301 0.315801 O\n0.138127 0.281514 0.567311 O\n0.829282 0.750738 0.444725 O\n0.249260 0.170692 0.944724 O\n0.718484 0.861896 0.067321 O\n0.667773 0.240660 0.370575 O\n0.026698 0.593699 0.815808 O\n0.759323 0.332245 0.870590 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.2105658787105296,
"density_atomic": 0.09071974389322378,
"volume": 242.505093774226,
"volume_molar": 6.638180953297222,
"formula_full": "Li2 Mn4 B4 O12",
"formula_reduced": "LiMn2(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 3.3914873317659358,
"spacegroup": 15
},
{
"id": "jvasp-116553",
"created_at": "2022-09-04T14:38:49.816186Z",
"updated_at": "2022-09-04T14:38:49.816213Z",
"structure_string": "Ag10 Te2 P2 O8\n1.0\n7.008026 -0.000000 0.000000\n0.000000 7.008026 0.000000\n-0.000000 -0.000000 7.399950\nAg Te P O\n10 2 2 8\ndirect\n0.779941 0.720060 0.199709 Ag\n0.220059 0.720060 0.199709 Ag\n0.779941 0.279941 0.199709 Ag\n0.220059 0.279941 0.199709 Ag\n0.720060 0.779941 0.800291 Ag\n0.279941 0.779941 0.800291 Ag\n0.720060 0.220059 0.800291 Ag\n0.279941 0.220059 0.800291 Ag\n-0.000000 0.500000 0.464981 Ag\n0.500000 0.000000 0.535018 Ag\n0.500000 0.000000 0.019347 Te\n-0.000000 0.500000 -0.019347 Te\n0.500000 0.500000 0.500000 P\n0.000000 0.000000 0.500000 P\n0.500000 0.316462 0.379645 O\n0.500000 0.683539 0.379645 O\n0.816462 0.000000 0.379645 O\n0.183539 0.000000 0.379645 O\n-0.000000 0.183539 0.620355 O\n-0.000000 0.816462 0.620355 O\n0.683539 0.500000 0.620355 O\n0.316462 0.500000 0.620355 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Ag",
"Te",
"P",
"O"
],
"chemical_system": "Ag-O-P-Te",
"density": 6.9624793330459385,
"density_atomic": 0.060534434085414764,
"volume": 363.42951466198156,
"volume_molar": 9.948289516513348,
"formula_full": "Ag10 Te2 P2 O8",
"formula_reduced": "Ag5TePO4",
"formula_anonymous": "ABC4D5",
"energy_above_hull": 1.256220324242424,
"spacegroup": 129
},
{
"id": "jvasp-117250",
"created_at": "2022-09-04T14:38:49.910304Z",
"updated_at": "2022-09-04T14:38:49.910320Z",
"structure_string": "Sr6 Co2 Ru2 O12\n1.0\n6.785507 -0.000378 -0.252883\n-0.205939 6.648975 -0.338540\n-0.024311 0.004792 6.616460\nSr Co Ru O\n6 2 2 12\ndirect\n0.610148 0.882649 0.250998 Sr\n0.888137 0.247631 0.613347 Sr\n0.246787 0.616800 0.881661 Sr\n0.111857 0.752364 0.386652 Sr\n0.753212 0.383200 0.118338 Sr\n0.389853 0.117348 0.749004 Sr\n0.733172 0.734415 0.759765 Co\n0.266835 0.265583 0.240235 Co\n0.499995 0.500002 0.500002 Ru\n0.000001 0.000000 -0.000000 Ru\n0.939712 0.078474 0.282107 O\n0.592167 0.463643 0.792596 O\n0.785951 0.599250 0.472303 O\n0.453261 0.785245 0.590511 O\n0.715957 0.028074 0.898759 O\n0.546740 0.214761 0.409486 O\n0.060290 0.921521 0.717893 O\n0.407828 0.536366 0.207408 O\n0.214048 0.400746 0.527698 O\n0.094018 0.288334 0.969952 O\n0.905989 0.711664 0.030057 O\n0.284046 0.971928 0.101232 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Sr",
"Co",
"Ru",
"O"
],
"chemical_system": "Co-O-Ru-Sr",
"density": 5.773113545228215,
"density_atomic": 0.07370616832348575,
"volume": 298.48248118726195,
"volume_molar": 8.170470527744287,
"formula_full": "Sr6 Co2 Ru2 O12",
"formula_reduced": "Sr3CoRuO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 2.0588537572727272,
"spacegroup": 2
},
{
"id": "jvasp-119334",
"created_at": "2022-09-04T14:38:50.830319Z",
"updated_at": "2022-09-04T14:38:50.830338Z",
"structure_string": "Li4 Mn4 O2 F12\n1.0\n5.058270 -0.069523 -0.943272\n1.219624 4.909512 0.943318\n-0.021264 0.027361 10.880660\nLi Mn O F\n4 4 2 12\ndirect\n0.432597 0.910907 0.709393 Li\n0.089095 0.567406 0.209393 Li\n0.109479 0.484754 0.801882 Li\n0.515247 0.890518 0.301884 Li\n0.085655 0.587844 0.499582 Mn\n0.678542 0.420159 0.940283 Mn\n0.412154 0.914347 0.999583 Mn\n0.579838 0.321457 0.440284 Mn\n0.345453 0.648014 0.918559 O\n0.351986 0.654548 0.418559 O\n0.858824 0.554698 0.341402 F\n0.356518 0.251620 0.293848 F\n0.018835 0.191847 0.946389 F\n0.356915 0.180780 0.562844 F\n0.445301 0.141175 0.841402 F\n0.219165 0.666360 0.657734 F\n0.333639 0.780836 0.157734 F\n0.748377 0.643480 0.793847 F\n0.839419 0.404413 0.578086 F\n0.819221 0.643089 0.062844 F\n0.595587 0.160586 0.078086 F\n0.808152 -0.018836 0.446389 F\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.111149685494266,
"density_atomic": 0.08121981984687805,
"volume": 270.8698448417654,
"volume_molar": 7.414619696711234,
"formula_full": "Li4 Mn4 O2 F12",
"formula_reduced": "Li2Mn2OF6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 1.0157990616144197,
"spacegroup": 9
},
{
"id": "jvasp-119502",
"created_at": "2022-09-04T14:38:50.850697Z",
"updated_at": "2022-09-04T14:38:50.850724Z",
"structure_string": "Dy4 Mn2 Sb2 O14\n1.0\n6.371322 -0.034455 -3.494182\n-2.051542 5.855534 -3.782609\n-0.016659 0.034455 7.266551\nDy Mn Sb O\n4 2 2 14\ndirect\n0.000000 0.500000 -0.000000 Dy\n-0.000000 -0.000000 0.500000 Dy\n-0.000000 0.499999 0.499999 Dy\n0.500000 0.500000 0.000000 Dy\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 -0.000000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.590508 0.917084 0.255737 O\n0.161346 0.334770 0.244263 O\n0.580682 0.330682 0.250000 O\n0.167540 0.917539 0.249999 O\n0.409492 0.665229 0.326576 O\n0.838654 0.082916 0.173425 O\n0.832460 0.082460 0.750000 O\n0.838653 0.665229 0.755737 O\n0.419318 0.669317 0.749999 O\n0.161346 0.917083 0.826575 O\n0.126163 0.376162 0.749999 O\n0.873837 0.623837 0.250000 O\n0.409492 0.082915 0.744262 O\n0.590507 0.334770 0.673424 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Dy",
"Mn",
"Sb",
"O"
],
"chemical_system": "Dy-Mn-O-Sb",
"density": 7.51195637186928,
"density_atomic": 0.08108581329670972,
"volume": 271.31749816083686,
"volume_molar": 7.426873475343639,
"formula_full": "Dy4 Mn2 Sb2 O14",
"formula_reduced": "Dy2MnSbO7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.5624509855799364,
"spacegroup": 74
},
{
"id": "jvasp-34417",
"created_at": "2022-09-04T14:38:16.511390Z",
"updated_at": "2022-09-04T14:38:16.511409Z",
"structure_string": "Ba3 Si6 N4 O9\n1.0\n3.654241 -6.329331 0.000000\n3.654241 6.329331 -0.000000\n0.000000 -0.000000 6.838524\nBa Si N O\n3 6 4 9\ndirect\n0.333333 0.666667 0.690989 Ba\n0.000000 0.000000 0.557118 Ba\n0.666667 0.333333 0.748311 Ba\n0.926992 0.378098 0.256657 Si\n0.213534 0.253143 0.043941 Si\n0.746857 0.960391 0.043941 Si\n0.039609 0.786466 0.043941 Si\n0.451106 0.073008 0.256657 Si\n0.621902 0.548894 0.256657 Si\n0.868854 0.575194 0.192895 N\n0.706339 0.131146 0.192895 N\n0.424806 0.293661 0.192895 N\n0.000000 0.000000 0.094666 N\n0.118718 0.411432 0.102669 O\n0.292714 0.881282 0.102669 O\n0.280068 0.287498 0.815846 O\n0.712501 0.992570 0.815846 O\n0.390838 0.013827 0.483586 O\n0.007430 0.719931 0.815846 O\n0.986173 0.377012 0.483586 O\n0.622987 0.609161 0.483586 O\n0.588568 0.707286 0.102669 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Ba",
"Si",
"N",
"O"
],
"chemical_system": "Ba-N-O-Si",
"density": 4.097162682830391,
"density_atomic": 0.06954650591459337,
"volume": 316.3350870138194,
"volume_molar": 8.659156460563947,
"formula_full": "Ba3 Si6 N4 O9",
"formula_reduced": "Ba3Si6N4O9",
"formula_anonymous": "A3B4C6D9",
"energy_above_hull": 3.370708818636364,
"spacegroup": 143
},
{
"id": "jvasp-46393",
"created_at": "2022-09-04T14:38:09.415505Z",
"updated_at": "2022-09-04T14:38:09.415525Z",
"structure_string": "Tm6 Ta2 O14\n1.0\n5.196062 3.727923 0.000000\n-5.196062 3.727923 0.000000\n0.000000 0.000000 7.360370\nTm Ta O\n6 2 14\ndirect\n0.999588 0.464375 0.490817 Tm\n0.535625 0.000411 0.509183 Tm\n0.464906 0.464906 0.750000 Tm\n0.535093 0.535093 0.250000 Tm\n0.000411 0.535625 0.990817 Tm\n0.464375 0.999588 0.009183 Tm\n0.001861 0.001861 0.250000 Ta\n0.998139 0.998139 0.750000 Ta\n0.311634 0.052059 0.296593 O\n0.947940 0.688365 0.703407 O\n0.629357 0.370642 0.000000 O\n0.915360 0.667951 0.274945 O\n0.332048 0.084639 0.725055 O\n0.084639 0.332048 0.774945 O\n0.052059 0.311634 0.203407 O\n0.370642 0.629357 0.500000 O\n0.688365 0.947940 0.796593 O\n0.639680 0.360319 0.500000 O\n0.360319 0.639680 0.000000 O\n0.073435 0.926564 0.000000 O\n0.667951 0.915360 0.225055 O\n0.926564 0.073435 0.500000 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Tm",
"Ta",
"O"
],
"chemical_system": "O-Ta-Tm",
"density": 9.314519107642072,
"density_atomic": 0.07715281576859827,
"volume": 285.1483744414958,
"volume_molar": 7.805471128963063,
"formula_full": "Tm6 Ta2 O14",
"formula_reduced": "Tm3TaO7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 2.70285695,
"spacegroup": 20
},
{
"id": "jvasp-59268",
"created_at": "2022-09-04T14:38:09.266006Z",
"updated_at": "2022-09-04T14:38:09.266033Z",
"structure_string": "Tm4 Ti4 O14\n1.0\n7.112039 0.000000 0.000000\n3.556019 6.159206 0.000000\n3.556019 2.053069 5.806956\nTm Ti O\n4 4 14\ndirect\n0.500000 0.500000 0.500000 Tm\n0.500000 -0.000000 0.500000 Tm\n-0.000000 0.500000 0.500000 Tm\n0.500000 0.500000 0.000000 Tm\n0.500000 0.000000 0.000000 Ti\n-0.000000 0.500000 0.000000 Ti\n-0.000000 -0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.082799 0.082800 0.667201 O\n0.082799 0.667201 0.082800 O\n0.375000 0.375000 0.375000 O\n0.667200 0.667201 0.082800 O\n0.332799 0.332800 0.917201 O\n0.917200 0.332800 0.332800 O\n0.332799 0.917201 0.917201 O\n0.667200 0.082800 0.082800 O\n0.625000 0.625000 0.625000 O\n0.917200 0.917201 0.332800 O\n0.917200 0.332800 0.917201 O\n0.667200 0.082800 0.667201 O\n0.332799 0.917201 0.332800 O\n0.082799 0.667201 0.667201 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Tm",
"Ti",
"O"
],
"chemical_system": "O-Ti-Tm",
"density": 7.123355901560539,
"density_atomic": 0.08648788687646147,
"volume": 254.37088122438007,
"volume_molar": 6.962987508992991,
"formula_full": "Tm4 Ti4 O14",
"formula_reduced": "Tm2Ti2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.667330878787879,
"spacegroup": 227
},
{
"id": "jvasp-55288",
"created_at": "2022-09-04T14:38:09.196132Z",
"updated_at": "2022-09-04T14:38:09.196156Z",
"structure_string": "Sr6 Tb2 Rh2 O12\n1.0\n6.823463 -0.005498 -0.227643\n-0.235182 6.819411 -0.227643\n-0.005316 -0.005498 6.827257\nTb Sr Rh O\n2 6 2 12\ndirect\n0.250000 0.250000 0.250000 Tb\n0.749999 0.749999 0.750001 Tb\n0.750000 0.380241 0.119760 Sr\n0.119759 0.750000 0.380242 Sr\n0.380240 0.119759 0.750000 Sr\n0.880240 0.249999 0.619760 Sr\n0.249999 0.619759 0.880242 Sr\n0.619759 0.880241 0.250001 Sr\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.500001 Rh\n0.088850 0.292044 0.954623 O\n0.792043 0.588850 0.454623 O\n0.545378 0.207956 0.411150 O\n0.411150 0.545378 0.207957 O\n0.207956 0.411149 0.545378 O\n0.707955 0.045377 0.911150 O\n0.911150 0.707956 0.045379 O\n0.045378 0.911149 0.707957 O\n0.454622 0.792043 0.588851 O\n0.588850 0.454621 0.792045 O\n0.954621 0.088850 0.292044 O\n0.292044 0.954622 0.088851 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Tb",
"Sr",
"Rh",
"O"
],
"chemical_system": "O-Rh-Sr-Tb",
"density": 6.489173662813764,
"density_atomic": 0.06925643945442643,
"volume": 317.6599919560823,
"volume_molar": 8.695423569909071,
"formula_full": "Sr6 Tb2 Rh2 O12",
"formula_reduced": "Sr3TbRhO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.624424666363636,
"spacegroup": 167
}
]
}