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=484",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=482",
"results": [
{
"id": "jvasp-112535",
"created_at": "2022-09-04T14:38:42.106061Z",
"updated_at": "2022-09-04T14:38:42.106073Z",
"structure_string": "Rb4 S4 N2 O12\n1.0\n7.311946 0.099435 0.483811\n3.464633 6.439780 0.483811\n0.027724 0.016823 7.599310\nRb S N O\n4 4 2 12\ndirect\n0.294663 -0.009084 0.150538 Rb\n0.009084 0.705337 0.349462 Rb\n0.705337 0.009085 0.849462 Rb\n-0.009085 0.294663 0.650538 Rb\n0.778331 0.425681 0.142676 S\n0.574320 0.221669 0.357324 S\n0.221669 0.574319 0.857324 S\n0.425680 0.778331 0.642676 S\n0.562128 0.437872 0.250000 N\n0.437871 0.562128 0.750000 N\n0.631981 0.066610 0.222103 O\n0.933391 0.368020 0.277897 O\n0.637303 0.704783 0.567640 O\n0.295217 0.362696 0.932360 O\n0.362696 0.295218 0.432360 O\n0.848307 0.265770 0.010228 O\n0.265769 0.848307 0.510228 O\n0.151693 0.734230 -0.010228 O\n0.734230 0.151693 0.489772 O\n0.066609 0.631980 0.722103 O\n0.704782 0.637304 0.067640 O\n0.368019 0.933391 0.777897 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Rb",
"S",
"N",
"O"
],
"chemical_system": "N-O-Rb-S",
"density": 3.22728928595151,
"density_atomic": 0.061954936498013,
"volume": 355.0968049286206,
"volume_molar": 9.72019519412007,
"formula_full": "Rb4 S4 N2 O12",
"formula_reduced": "Rb2S2NO6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.24085675,
"spacegroup": 15
},
{
"id": "jvasp-112607",
"created_at": "2022-09-04T14:38:42.122680Z",
"updated_at": "2022-09-04T14:38:42.122709Z",
"structure_string": "Au2 Xe2 F18\n1.0\n5.539671 0.079596 -9.540145\n-0.333116 5.530219 -9.540145\n-0.073874 -0.079596 11.031630\nAu Xe F\n2 2 18\ndirect\n0.500000 -0.000000 0.500000 Au\n0.000000 0.500000 0.500000 Au\n0.154572 0.154572 -0.000000 Xe\n0.845427 0.845428 -0.000001 Xe\n0.237413 0.780313 0.149579 F\n0.762587 0.219687 0.850420 F\n0.630734 0.087833 0.850420 F\n0.087834 0.237413 0.457100 F\n0.369266 0.912166 0.149578 F\n0.912165 0.762587 0.542898 F\n0.780312 0.630734 0.542898 F\n0.219687 0.369266 0.457101 F\n0.026929 0.486067 0.165538 F\n0.251300 0.251300 -0.000000 F\n0.679471 0.138609 0.165538 F\n0.138609 0.973070 0.459137 F\n0.320529 0.861391 0.834461 F\n0.861391 0.026930 0.540862 F\n0.513933 0.679471 0.540862 F\n0.486067 0.320529 0.459137 F\n0.973071 0.513933 0.834461 F\n0.748699 0.748701 -0.000001 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Au",
"Xe",
"F"
],
"chemical_system": "Au-F-Xe",
"density": 5.025070281005324,
"density_atomic": 0.06667635217205703,
"volume": 329.95206371262526,
"volume_molar": 9.031898962408714,
"formula_full": "Au2 Xe2 F18",
"formula_reduced": "AuXeF9",
"formula_anonymous": "ABC9",
"energy_above_hull": 0.0,
"spacegroup": 87
},
{
"id": "jvasp-116663",
"created_at": "2022-09-04T14:38:43.683175Z",
"updated_at": "2022-09-04T14:38:43.683184Z",
"structure_string": "Pr2 Mn3 Sb3 O14\n1.0\n6.334739 -0.026860 3.502028\n1.980434 6.017269 3.502028\n-0.016102 -0.011600 7.331903\nPr Mn Sb O\n2 3 3 14\ndirect\n0.500000 -0.000000 0.000000 Pr\n-0.000000 0.500000 0.000000 Pr\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 -0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Sb\n-0.000000 0.500000 0.500000 Sb\n0.500000 -0.000000 0.500000 Sb\n0.434873 0.818775 0.416866 O\n0.829485 0.414446 0.825117 O\n0.414446 0.829485 0.825117 O\n0.818775 0.434873 0.416866 O\n0.825509 0.825509 0.447443 O\n0.412079 0.412079 0.848401 O\n0.181225 0.565127 0.583134 O\n0.170515 0.585554 0.174883 O\n0.585554 0.170515 0.174883 O\n0.897471 0.897472 0.855593 O\n0.174491 0.174491 0.552557 O\n0.587921 0.587921 0.151599 O\n0.565127 0.181225 0.583134 O\n0.102528 0.102528 0.144407 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Pr",
"Mn",
"Sb",
"O"
],
"chemical_system": "Mn-O-Pr-Sb",
"density": 6.134994977184828,
"density_atomic": 0.07846383445305559,
"volume": 280.3839520889393,
"volume_molar": 7.675052846930402,
"formula_full": "Pr2 Mn3 Sb3 O14",
"formula_reduced": "Pr2Mn3Sb3O14",
"formula_anonymous": "A2B3C3D14",
"energy_above_hull": 3.0630985783699054,
"spacegroup": 12
},
{
"id": "jvasp-112050",
"created_at": "2022-09-04T14:38:42.135133Z",
"updated_at": "2022-09-04T14:38:42.135159Z",
"structure_string": "Zn1 H10 C7 O4\n1.0\n4.394879 -0.028929 -0.031519\n-2.071913 4.394709 -0.422681\n0.069396 0.019199 9.579146\nZn H C O\n1 10 7 4\ndirect\n0.643178 0.281117 0.173590 Zn\n0.937388 0.499942 0.490298 H\n0.607772 0.429015 0.714528 H\n0.938965 0.393395 0.802976 H\n0.334814 0.928189 0.748035 H\n-0.002189 0.953751 0.659978 H\n0.529627 0.549543 0.951804 H\n0.741502 0.915521 0.888977 H\n0.279052 0.017220 0.420094 H\n0.625806 0.055221 0.523090 H\n0.289846 0.494242 0.575579 H\n0.548559 0.771489 0.335955 C\n0.405254 0.885595 0.459522 C\n0.173533 0.644564 0.550513 C\n0.098371 0.791293 0.686034 C\n0.845896 0.560106 0.775886 C\n0.767418 0.709596 0.911612 C\n0.046801 0.797450 0.022365 C\n0.284868 0.067378 0.025696 O\n0.727801 0.958345 0.250513 O\n0.497944 0.492427 0.326270 O\n0.049375 0.600660 0.101681 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 2.0122383148123846,
"density_atomic": 0.1192496596365321,
"volume": 184.48689972831005,
"volume_molar": 5.0500276297267686,
"formula_full": "Zn1 H10 C7 O4",
"formula_reduced": "ZnH10C7O4",
"formula_anonymous": "AB4C7D10",
"energy_above_hull": 4.366563836363636,
"spacegroup": 1
},
{
"id": "jvasp-116625",
"created_at": "2022-09-04T14:38:43.913537Z",
"updated_at": "2022-09-04T14:38:43.913553Z",
"structure_string": "Er10 In8 Pt4\n1.0\n3.613331 -0.000000 0.000000\n0.000000 8.013089 0.000000\n0.000000 -0.000000 18.074882\nEr In Pt\n10 8 4\ndirect\n-0.000000 0.116373 0.415423 Er\n-0.000000 0.883627 0.584577 Er\n-0.000000 0.383627 0.915423 Er\n-0.000000 0.616374 0.084577 Er\n-0.000000 0.245420 0.220686 Er\n-0.000000 0.754580 0.779314 Er\n-0.000000 0.254580 0.720686 Er\n-0.000000 0.745420 0.279314 Er\n0.000000 0.000000 0.000000 Er\n-0.000000 0.500000 0.500000 Er\n0.500000 0.790367 0.433958 In\n0.500000 0.209633 0.566042 In\n0.500000 0.709633 0.933958 In\n0.500000 0.290367 0.066042 In\n0.500000 0.425888 0.353047 In\n0.500000 0.074112 0.853047 In\n0.500000 0.574112 0.646953 In\n0.500000 0.925888 0.146953 In\n0.500000 0.472129 0.803496 Pt\n0.500000 0.027871 0.303496 Pt\n0.500000 0.972129 0.696504 Pt\n0.500000 0.527871 0.196504 Pt\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Er",
"In",
"Pt"
],
"chemical_system": "Er-In-Pt",
"density": 10.69757186963944,
"density_atomic": 0.04203775324863803,
"volume": 523.3391011617105,
"volume_molar": 14.325553329125908,
"formula_full": "Er10 In8 Pt4",
"formula_reduced": "Er5(In2Pt)2",
"formula_anonymous": "A2B4C5",
"energy_above_hull": 1.0344802436363636,
"spacegroup": 55
},
{
"id": "jvasp-112744",
"created_at": "2022-09-04T14:38:43.804490Z",
"updated_at": "2022-09-04T14:38:43.804528Z",
"structure_string": "Li4 V6 O12\n1.0\n4.948832 -0.022917 0.653787\n-0.768218 6.495269 -0.797132\n0.032849 -0.080043 6.588369\nLi V O\n4 6 12\ndirect\n-0.000019 0.669869 0.669861 Li\n0.500019 0.169861 0.169870 Li\n-0.000034 0.330122 0.330149 Li\n0.500034 0.830147 0.830121 Li\n0.750009 0.249969 0.749972 V\n0.249993 0.750032 0.250029 V\n0.750002 0.907118 0.407116 V\n0.750002 0.592808 0.092806 V\n0.249998 0.092886 0.592886 V\n0.249997 0.407190 0.907190 V\n0.127421 0.031566 0.313436 O\n0.627420 0.531526 0.813378 O\n0.872585 0.968434 0.686573 O\n0.372574 0.468475 0.186615 O\n0.372578 0.813438 0.531563 O\n0.384754 0.132920 0.867131 O\n0.115253 0.367134 0.632917 O\n0.615254 0.867078 0.132872 O\n0.884739 0.632868 0.367083 O\n0.127425 0.686618 0.968473 O\n0.872580 0.313374 0.031531 O\n0.627415 0.186569 0.468438 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Li",
"V",
"O"
],
"chemical_system": "Li-O-V",
"density": 4.1300503325822575,
"density_atomic": 0.10414395464617765,
"volume": 211.24605911830002,
"volume_molar": 5.78251592275311,
"formula_full": "Li4 V6 O12",
"formula_reduced": "Li2V3O6",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 2.9565966909090906,
"spacegroup": 12
},
{
"id": "jvasp-57115",
"created_at": "2022-09-04T14:38:35.239136Z",
"updated_at": "2022-09-04T14:38:35.239162Z",
"structure_string": "Nd4 Zr4 O14\n1.0\n6.516747 0.000000 3.762446\n2.172248 6.144048 3.762446\n-0.000000 -0.000000 7.524890\nNd Zr O\n4 4 14\ndirect\n0.500000 0.500000 0.500000 Nd\n0.000000 0.500000 0.500000 Nd\n0.500000 0.500000 0.000000 Nd\n0.500000 -0.000000 0.500000 Nd\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.000000 0.500000 0.000000 Zr\n0.500000 -0.000000 0.000000 Zr\n0.882729 0.367272 0.367272 O\n0.875001 0.875000 0.875001 O\n0.117272 0.117272 0.632728 O\n0.125000 0.125000 0.125000 O\n0.632729 0.632728 0.117272 O\n0.632728 0.117272 0.632728 O\n0.367272 0.882728 0.882728 O\n0.882729 0.882728 0.367272 O\n0.117272 0.632728 0.117272 O\n0.882729 0.367272 0.882728 O\n0.367272 0.882728 0.367272 O\n0.117272 0.632728 0.632728 O\n0.632728 0.117272 0.117272 O\n0.367272 0.367272 0.882728 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Nd",
"Zr",
"O"
],
"chemical_system": "Nd-O-Zr",
"density": 6.425519475031474,
"density_atomic": 0.07301919898647218,
"volume": 301.2906236355155,
"volume_molar": 8.247338841823897,
"formula_full": "Nd4 Zr4 O14",
"formula_reduced": "Nd2Zr2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.863065136363636,
"spacegroup": 227
},
{
"id": "jvasp-30674",
"created_at": "2022-09-04T14:38:31.295590Z",
"updated_at": "2022-09-04T14:38:31.295600Z",
"structure_string": "Zn2 Sn8 O12\n1.0\n3.121387 -0.000000 -0.000000\n-1.560693 6.197230 0.000000\n-0.000000 0.000000 16.757347\nZn Sn O\n2 8 12\ndirect\n0.660582 0.321162 0.750000 Zn\n0.339420 0.678838 0.250000 Zn\n0.872689 0.745378 0.041691 Sn\n0.411003 0.822001 0.665575 Sn\n0.127311 0.254621 0.958309 Sn\n0.588999 0.177999 0.334426 Sn\n0.872689 0.745378 0.458309 Sn\n0.127311 0.254621 0.541691 Sn\n0.588999 0.177999 0.165574 Sn\n0.411003 0.822001 0.834425 Sn\n0.839311 0.678621 0.604393 O\n0.160690 0.321380 0.395607 O\n0.160690 0.321380 0.104393 O\n0.839311 0.678621 0.895607 O\n0.044543 0.089086 0.658871 O\n0.500000 0.000000 0.500000 O\n0.955459 0.910914 0.158871 O\n0.044543 0.089086 0.841130 O\n0.500000 0.000000 0.000000 O\n0.252272 0.504544 0.750000 O\n0.955459 0.910914 0.341129 O\n0.747728 0.495455 0.250000 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Zn",
"Sn",
"O"
],
"chemical_system": "O-Sn-Zn",
"density": 6.518583813268176,
"density_atomic": 0.06786911500219402,
"volume": 324.15333542051934,
"volume_molar": 8.87316824420846,
"formula_full": "Zn2 Sn8 O12",
"formula_reduced": "Zn(Sn2O3)2",
"formula_anonymous": "AB4C6",
"energy_above_hull": 1.4902152909090909,
"spacegroup": 63
},
{
"id": "jvasp-45301",
"created_at": "2022-09-04T14:38:35.194622Z",
"updated_at": "2022-09-04T14:38:35.194645Z",
"structure_string": "Rb6 Ti2 F14\n1.0\n8.080440 0.000000 0.000000\n0.000000 8.080440 0.000000\n0.000000 0.000000 5.982473\nRb Ti F\n6 2 14\ndirect\n0.188986 0.688986 0.500000 Rb\n0.688986 0.811014 0.500000 Rb\n0.311014 0.188986 0.500000 Rb\n0.811014 0.311014 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Rb\n0.000000 0.500000 0.000000 Ti\n0.500000 0.000000 0.000000 Ti\n0.334787 0.165213 0.000000 F\n0.834787 0.334787 0.000000 F\n0.500000 0.500000 0.500000 F\n0.000000 0.000000 0.500000 F\n0.614611 0.114611 0.227568 F\n0.114611 0.385389 0.227568 F\n0.114611 0.385389 0.772432 F\n0.385389 0.885389 0.227568 F\n0.885389 0.614611 0.772432 F\n0.665213 0.834787 0.000000 F\n0.614611 0.114611 0.772432 F\n0.385389 0.885389 0.772432 F\n0.885389 0.614611 0.227568 F\n0.165213 0.665213 0.000000 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Rb",
"Ti",
"F"
],
"chemical_system": "F-Rb-Ti",
"density": 3.717639760765164,
"density_atomic": 0.056321201874417345,
"volume": 390.6166642014259,
"volume_molar": 10.692493341012,
"formula_full": "Rb6 Ti2 F14",
"formula_reduced": "Rb3TiF7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 0.0,
"spacegroup": 127
},
{
"id": "jvasp-59220",
"created_at": "2022-09-04T14:38:35.099386Z",
"updated_at": "2022-09-04T14:38:35.099395Z",
"structure_string": "Li2 V2 P4 O14\n1.0\n6.323501 0.036644 -0.004064\n0.925084 6.325099 0.037914\n2.655700 0.243835 6.217075\nLi V P O\n2 2 4 14\ndirect\n0.706312 0.005373 0.828655 Li\n0.293686 0.994625 0.171346 Li\n0.908479 0.356141 0.214705 V\n0.091520 0.643858 0.785296 V\n0.216053 0.129170 0.764798 P\n0.347878 0.395668 0.348901 P\n0.652121 0.604331 0.651100 P\n0.783946 0.870829 0.235202 P\n0.639144 0.788142 0.473693 O\n0.779314 0.687149 0.772512 O\n0.612445 0.958776 0.137363 O\n0.400460 0.587007 0.794735 O\n0.221686 0.597465 0.468777 O\n0.778313 0.402534 0.531223 O\n0.360855 0.211857 0.526308 O\n0.053488 0.328983 0.881785 O\n0.220685 0.312850 0.227488 O\n0.064988 0.969599 0.748454 O\n0.935011 0.030400 0.251547 O\n0.599539 0.412992 0.205265 O\n0.387554 0.041223 0.862638 O\n0.946511 0.671015 0.118216 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 3.098675720759783,
"density_atomic": 0.0885437487029247,
"volume": 248.46474564582462,
"volume_molar": 6.801316691712514,
"formula_full": "Li2 V2 P4 O14",
"formula_reduced": "LiVP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.850773609090909,
"spacegroup": 2
},
{
"id": "jvasp-48562",
"created_at": "2022-09-04T14:37:03.656906Z",
"updated_at": "2022-09-04T14:37:03.656934Z",
"structure_string": "Mn8 O2 F12\n1.0\n7.193126 0.000000 -0.000000\n-0.000000 7.193126 0.000000\n0.000000 -0.000000 5.190811\nMn O F\n8 2 12\ndirect\n0.500000 0.750246 0.805161 Mn\n0.250246 0.000000 0.305161 Mn\n0.749755 0.000000 0.305161 Mn\n0.500000 0.249755 0.805161 Mn\n0.000000 0.250246 0.694839 Mn\n0.750246 0.500000 0.194839 Mn\n0.249755 0.500000 0.194839 Mn\n0.000000 0.749755 0.694839 Mn\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.912223 F\n0.000000 0.500000 0.412223 F\n0.708813 0.291187 0.500000 F\n0.291187 0.291187 0.500000 F\n0.208813 0.208813 0.000000 F\n0.208813 0.791188 0.000000 F\n0.500000 0.000000 0.587776 F\n0.500000 0.000000 0.087776 F\n0.791188 0.791188 0.000000 F\n0.291187 0.708813 0.500000 F\n0.791188 0.208813 0.000000 F\n0.708813 0.708813 0.500000 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.324703417768942,
"density_atomic": 0.08191286741424815,
"volume": 268.57807197423614,
"volume_molar": 7.351886156719368,
"formula_full": "Mn8 O2 F12",
"formula_reduced": "Mn4OF6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 1.8313476509561128,
"spacegroup": 137
},
{
"id": "jvasp-50830",
"created_at": "2022-09-04T14:36:42.282143Z",
"updated_at": "2022-09-04T14:36:42.282170Z",
"structure_string": "Na12 Mg2 O8\n1.0\n3.800395 -6.582476 -0.000000\n3.800395 6.582476 0.000000\n0.000000 0.000000 5.872160\nNa Mg O\n12 2 8\ndirect\n0.140145 0.859854 0.612315 Na\n0.859854 0.140145 0.112315 Na\n0.280290 0.140145 0.112315 Na\n0.925337 0.462668 0.788575 Na\n0.537331 0.462668 0.788575 Na\n0.140145 0.280290 0.612315 Na\n0.537331 0.074661 0.788575 Na\n0.462668 0.537331 0.288575 Na\n0.074661 0.537331 0.288575 Na\n0.719708 0.859854 0.612315 Na\n0.462668 0.925337 0.288575 Na\n0.859854 0.719708 0.112315 Na\n0.333332 0.666666 0.891239 Mg\n0.666666 0.333332 0.391239 Mg\n0.380996 0.190498 0.502659 O\n0.190498 0.809501 0.002659 O\n0.333332 0.666666 0.557366 O\n0.619002 0.809501 0.002659 O\n0.190498 0.380996 0.002659 O\n0.809501 0.619002 0.502659 O\n0.666666 0.333332 0.057366 O\n0.809501 0.190498 0.502659 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Na",
"Mg",
"O"
],
"chemical_system": "Mg-Na-O",
"density": 2.5574368609130005,
"density_atomic": 0.07488188742395405,
"volume": 293.79601338630783,
"volume_molar": 8.042186124269046,
"formula_full": "Na12 Mg2 O8",
"formula_reduced": "Na6MgO4",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.4015377727272727,
"spacegroup": 186
}
]
}