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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=716",
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"results": [
{
"id": "jvasp-111850",
"created_at": "2022-09-04T14:38:42.312961Z",
"updated_at": "2022-09-04T14:38:42.312980Z",
"structure_string": "Sr6 Ir4 N8\n1.0\n7.364437 0.042641 -0.237745\n-5.903369 7.175533 0.000000\n0.011325 0.009317 5.551675\nSr Ir N\n6 4 8\ndirect\n0.236973 0.967076 0.056230 Sr\n0.763027 0.730102 0.443772 Sr\n0.763027 0.032924 0.943772 Sr\n0.236974 0.269898 0.556230 Sr\n0.000000 0.596677 0.750001 Sr\n0.000000 0.403323 0.250000 Sr\n0.532197 0.379686 0.086184 Ir\n0.467804 0.847490 0.413818 Ir\n0.532197 0.152510 0.586184 Ir\n0.467804 0.620314 0.913818 Ir\n0.328691 0.729823 0.075694 N\n0.214127 0.936973 0.540238 N\n0.785875 0.722847 0.959764 N\n0.785874 0.063026 0.459764 N\n0.214126 0.277152 0.040237 N\n0.671310 0.270177 0.924308 N\n0.328691 0.598868 0.575694 N\n0.671309 0.401131 0.424308 N\n",
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"volume": 294.8012800067363,
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"formula_full": "Sr6 Ir4 N8",
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{
"id": "jvasp-113165",
"created_at": "2022-09-04T14:38:42.382859Z",
"updated_at": "2022-09-04T14:38:42.382888Z",
"structure_string": "Mn4 Te6 O16\n1.0\n6.881833 0.008408 0.890336\n4.788764 4.942412 0.890336\n0.022639 0.009604 11.859313\nMn Te O\n4 6 16\ndirect\n0.971899 0.568420 0.850573 Mn\n0.431579 0.028101 0.649427 Mn\n0.028101 0.431579 0.149428 Mn\n0.568420 0.971898 0.350573 Mn\n0.159103 0.840897 0.250000 Te\n0.673468 0.058167 0.054191 Te\n0.840897 0.159103 0.750000 Te\n0.326532 0.941832 0.945809 Te\n0.058167 0.673468 0.554191 Te\n0.941833 0.326532 0.445809 Te\n-0.011140 0.240575 0.862552 O\n-0.016793 0.857052 0.854930 O\n0.142947 0.016793 0.645070 O\n0.016793 0.142947 0.145071 O\n0.857053 -0.016793 0.354930 O\n0.759424 0.011141 0.637448 O\n0.720398 0.751427 0.030178 O\n0.827776 0.558683 0.310279 O\n0.279602 0.248572 0.969822 O\n0.751427 0.720398 0.530178 O\n0.441317 0.172223 0.189721 O\n0.240576 -0.011141 0.362552 O\n0.558683 0.827776 0.810279 O\n0.172223 0.441317 0.689721 O\n0.248573 0.279601 0.469822 O\n0.011141 0.759424 0.137448 O\n",
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"volume": 402.774230367819,
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"formula_full": "Mn4 Te6 O16",
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"formula_anonymous": "A2B3C8",
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{
"id": "jvasp-111858",
"created_at": "2022-09-04T14:38:42.388065Z",
"updated_at": "2022-09-04T14:38:42.388092Z",
"structure_string": "Sr10 V4 N12\n1.0\n6.046044 0.008323 -1.039587\n-3.562041 5.503886 -0.000000\n-0.027232 -0.017624 13.677407\nSr V N\n10 4 12\ndirect\n0.137889 0.809617 0.997993 Sr\n0.862112 0.671728 0.502007 Sr\n0.862111 0.190384 0.002007 Sr\n0.137889 0.328273 0.497993 Sr\n0.315672 0.068737 0.718027 Sr\n0.684329 0.753064 0.781973 Sr\n0.684328 0.931264 0.281973 Sr\n0.315672 0.246937 0.218027 Sr\n0.000001 0.381839 0.750000 Sr\n0.000001 0.618162 0.250000 Sr\n0.551085 0.639772 0.073789 V\n0.448915 0.088687 0.426210 V\n0.551086 0.911314 0.573790 V\n0.448915 0.360229 0.926211 V\n0.452840 0.790287 0.433949 N\n0.881293 0.991605 0.628374 N\n0.118708 0.110312 0.871627 N\n0.118707 0.008396 0.371626 N\n0.881293 0.889689 0.128373 N\n0.298992 0.697113 0.641763 N\n0.701009 0.398122 0.858237 N\n0.701008 0.302888 0.358237 N\n0.298992 0.601879 0.141763 N\n0.547161 0.209714 0.566051 N\n0.452840 0.662555 0.933949 N\n0.547161 0.337446 0.066051 N\n",
"nsites": 26,
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"elements": [
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],
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"density": 4.551550783624268,
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"volume": 455.32388907660925,
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"formula_full": "Sr10 V4 N12",
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"formula_anonymous": "A2B5C6",
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{
"id": "jvasp-111907",
"created_at": "2022-09-04T14:38:42.618043Z",
"updated_at": "2022-09-04T14:38:42.618062Z",
"structure_string": "Li6 Cr2 P4 O16\n1.0\n5.073254 0.011147 0.648598\n2.908783 4.156562 0.648598\n0.079387 0.041451 12.985127\nLi Cr P O\n6 2 4 16\ndirect\n0.630933 0.702756 0.348810 Li\n0.054999 0.945001 0.750000 Li\n0.945001 0.054999 0.250000 Li\n0.702756 0.630934 0.848810 Li\n0.297244 0.369067 0.151191 Li\n0.369066 0.297244 0.651191 Li\n0.000000 0.000000 0.000000 Cr\n0.000000 -0.000000 0.500000 Cr\n0.363218 0.317969 0.887346 P\n0.636781 0.682031 0.112655 P\n0.317969 0.363218 0.387346 P\n0.682031 0.636782 0.612655 P\n0.182173 0.498816 0.788516 O\n0.972207 0.662540 0.583742 O\n0.498816 0.182173 0.288516 O\n0.662539 0.972208 0.083742 O\n0.337460 0.027792 0.916258 O\n0.817826 0.501184 0.211484 O\n0.027792 0.337460 0.416258 O\n0.733954 0.175636 0.869299 O\n0.451525 0.776670 0.524858 O\n0.824364 0.266046 0.630701 O\n0.776669 0.451526 0.024858 O\n0.266046 0.824364 0.130701 O\n0.548474 0.223330 0.475143 O\n0.501184 0.817827 0.711484 O\n0.175636 0.733954 0.369299 O\n0.223330 0.548474 0.975143 O\n",
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],
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"density_atomic": 0.10251583817143449,
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"formula_full": "Li6 Cr2 P4 O16",
"formula_reduced": "Li3Cr(PO4)2",
"formula_anonymous": "AB2C3D8",
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"spacegroup": 15
},
{
"id": "jvasp-116487",
"created_at": "2022-09-04T14:38:43.283523Z",
"updated_at": "2022-09-04T14:38:43.283551Z",
"structure_string": "U4 Si10 Os6\n1.0\n7.657862 0.000092 2.744234\n-1.409228 7.527080 2.744234\n-0.000434 -0.000523 5.799058\nU Si Os\n4 10 6\ndirect\n0.869170 0.594532 0.761377 U\n0.405468 0.130830 0.738622 U\n0.130830 0.405468 0.238622 U\n0.594532 0.869170 0.261377 U\n0.223351 0.776649 0.250000 Si\n0.776649 0.223351 0.750000 Si\n0.484648 0.515352 0.250000 Si\n0.515352 0.484648 0.750000 Si\n0.795194 0.204806 0.250000 Si\n0.261927 0.064390 0.336271 Si\n0.935609 0.738073 0.163729 Si\n0.738073 0.935610 0.663729 Si\n0.064391 0.261927 0.836271 Si\n0.204806 0.795195 0.749999 Si\n0.999772 0.000228 0.750000 Os\n0.252645 0.542876 0.636572 Os\n0.457125 0.747355 0.863427 Os\n0.747355 0.457124 0.363427 Os\n0.542875 0.252645 0.136572 Os\n0.000228 0.999772 0.249999 Os\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Os-Si-U",
"density": 11.79431986606271,
"density_atomic": 0.0598286143839643,
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{
"id": "jvasp-112793",
"created_at": "2022-09-04T14:38:43.768623Z",
"updated_at": "2022-09-04T14:38:43.768647Z",
"structure_string": "Ca6 Mn2 Co2 O12\n1.0\n6.319990 -0.016608 -0.231706\n-0.246115 6.348508 -0.236927\n-0.016924 -0.017507 6.323961\nCa Mn Co O\n6 2 2 12\ndirect\n0.884778 0.249954 0.615200 Ca\n0.612603 0.887735 0.246429 Ca\n0.253630 0.612276 0.887408 Ca\n0.115202 0.750021 0.384783 Ca\n0.387427 0.112259 0.753595 Ca\n0.746396 0.387711 0.112614 Ca\n0.499958 0.500024 0.500011 Mn\n0.000013 0.000028 0.999964 Mn\n0.756860 0.749880 0.743277 Co\n0.243228 0.249992 0.256796 Co\n0.911136 0.713023 0.042279 O\n0.209627 0.417892 0.544214 O\n0.418536 0.549480 0.213419 O\n0.542317 0.213056 0.411146 O\n0.581416 0.450490 0.786606 O\n0.955756 0.082142 0.290317 O\n0.790328 0.582197 0.455826 O\n0.088837 0.286979 0.957695 O\n0.286585 0.950521 0.081477 O\n0.044280 0.917951 0.709635 O\n0.457661 0.786949 0.588836 O\n0.713444 0.049455 0.918478 O\n",
"nsites": 22,
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"elements": [
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],
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"density_atomic": 0.08673192841557267,
"volume": 253.65514640223208,
"volume_molar": 6.943395436966587,
"formula_full": "Ca6 Mn2 Co2 O12",
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"spacegroup": 15
},
{
"id": "jvasp-116861",
"created_at": "2022-09-04T14:38:43.570501Z",
"updated_at": "2022-09-04T14:38:43.570528Z",
"structure_string": "Li2 Cr4 O8\n1.0\n5.761688 0.007614 0.821509\n2.809616 5.030225 0.821509\n0.683785 0.401899 4.941536\nLi Cr O\n2 4 8\ndirect\n0.647046 0.352954 0.250000 Li\n0.352954 0.647046 0.750001 Li\n0.370693 0.120472 0.758440 Cr\n0.629307 0.879528 0.241561 Cr\n0.879528 0.629306 0.741562 Cr\n0.120472 0.370694 0.258439 Cr\n0.722069 0.985036 0.512660 O\n0.525129 0.759945 0.979170 O\n0.277931 0.014965 0.487341 O\n0.759945 0.525129 0.479170 O\n0.985036 0.722068 0.012660 O\n0.474871 0.240055 0.020831 O\n0.240055 0.474871 0.520831 O\n0.014964 0.277932 0.987341 O\n",
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"elements": [
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],
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"density_atomic": 0.10049043652456084,
"volume": 139.3167398230802,
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"formula_full": "Li2 Cr4 O8",
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"spacegroup": 15
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{
"id": "jvasp-112764",
"created_at": "2022-09-04T14:38:43.616542Z",
"updated_at": "2022-09-04T14:38:43.616550Z",
"structure_string": "Mg2 Co2 F10\n1.0\n4.786126 0.008383 1.759759\n1.001834 4.680107 1.759759\n-0.023392 -0.018948 7.053535\nMg Co F\n2 2 10\ndirect\n0.534566 0.465434 0.750000 Mg\n0.465435 0.534565 0.250000 Mg\n0.000000 0.000000 0.000000 Co\n0.000000 -0.000000 0.500000 Co\n0.102090 0.897910 0.250000 F\n0.897910 0.102090 0.749999 F\n0.199851 0.285130 0.367184 F\n0.714870 0.800150 0.132816 F\n0.722582 0.327452 0.032464 F\n0.672548 0.277418 0.467536 F\n0.277418 0.672547 0.967535 F\n0.327452 0.722582 0.532464 F\n0.285130 0.199850 0.867184 F\n0.800150 0.714870 0.632815 F\n",
"nsites": 14,
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"elements": [
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],
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"density": 3.7402586590311375,
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"volume": 158.25548722372312,
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"formula_full": "Mg2 Co2 F10",
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"spacegroup": 15
},
{
"id": "jvasp-112729",
"created_at": "2022-09-04T14:38:43.671570Z",
"updated_at": "2022-09-04T14:38:43.671591Z",
"structure_string": "Ca10 Co4 N12\n1.0\n5.689586 0.000543 -1.049648\n-3.358270 5.189481 -0.000000\n-0.025403 -0.016439 12.441819\nCa Co N\n10 4 12\ndirect\n0.000000 0.368700 0.750000 Ca\n0.000000 0.631299 0.250000 Ca\n0.128077 0.803822 0.999356 Ca\n0.871923 0.675746 0.500644 Ca\n0.871923 0.196177 0.000644 Ca\n0.128077 0.324253 0.499356 Ca\n0.319240 0.051323 0.723861 Ca\n0.680761 0.732083 0.776139 Ca\n0.680761 0.948676 0.276139 Ca\n0.319240 0.267916 0.223861 Ca\n0.542852 0.659692 0.064659 Co\n0.457149 0.116841 0.435341 Co\n0.542852 0.883157 0.564659 Co\n0.457149 0.340307 0.935341 Co\n0.105110 0.014452 0.371263 N\n0.286644 0.676023 0.644392 N\n0.713357 0.389380 0.855608 N\n0.713357 0.323976 0.355608 N\n0.286644 0.610619 0.144392 N\n0.569142 0.233474 0.575204 N\n0.430859 0.664332 0.924796 N\n0.430859 0.766525 0.424796 N\n0.569142 0.335667 0.075204 N\n0.894891 0.985547 0.628737 N\n0.105110 0.090657 0.871263 N\n0.894891 0.909342 0.128737 N\n",
"nsites": 26,
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],
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"density_atomic": 0.07080928283515944,
"volume": 367.1834957081366,
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"formula_full": "Ca10 Co4 N12",
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"formula_anonymous": "A2B5C6",
"energy_above_hull": 3.2793948769230763,
"spacegroup": 15
},
{
"id": "jvasp-116796",
"created_at": "2022-09-04T14:38:43.680083Z",
"updated_at": "2022-09-04T14:38:43.680104Z",
"structure_string": "Mn6 Pb6 O18\n1.0\n5.522675 0.000000 0.181267\n2.761337 4.782095 0.090633\n-0.050725 0.000000 13.596629\nMn Pb O\n6 6 18\ndirect\n0.000000 0.000000 0.000000 Mn\n-0.000000 -0.000000 0.500000 Mn\n0.672618 0.674137 0.844907 Mn\n0.653244 0.674137 0.655093 Mn\n0.327380 0.325864 0.155093 Mn\n0.346754 0.325864 0.344907 Mn\n0.329222 0.341824 0.591492 Pb\n0.328951 0.341824 0.908508 Pb\n0.670776 0.658177 0.408508 Pb\n0.990883 0.018231 0.750000 Pb\n0.009116 0.981770 0.250000 Pb\n0.671047 0.658177 0.091492 Pb\n0.788857 0.328889 0.582090 O\n0.206766 0.167147 0.438500 O\n0.626088 0.167147 0.061500 O\n0.288695 0.828257 0.595152 O\n0.883045 0.828257 0.904848 O\n0.711303 0.171744 0.404848 O\n0.116953 0.171744 0.095152 O\n0.882251 0.328889 0.917910 O\n0.039749 0.473303 0.261214 O\n0.117747 0.671112 0.082090 O\n0.513050 0.526698 0.761214 O\n0.960249 0.526698 0.738786 O\n0.486948 0.473303 0.238786 O\n0.373911 0.832854 0.938500 O\n0.513282 0.973434 0.750000 O\n0.486716 0.026567 0.250000 O\n0.211141 0.671112 0.417910 O\n0.793232 0.832854 0.561500 O\n",
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"density": 8.604007147537411,
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"volume": 359.13035074955326,
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"formula_full": "Mn6 Pb6 O18",
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"spacegroup": 15
},
{
"id": "jvasp-112864",
"created_at": "2022-09-04T14:38:44.011549Z",
"updated_at": "2022-09-04T14:38:44.011561Z",
"structure_string": "Na4 Fe4 B4 O12\n1.0\n4.943602 -0.000216 0.958308\n0.000373 8.950508 0.000832\n0.019209 -0.000926 5.546486\nNa Fe B O\n4 4 4 12\ndirect\n-0.000008 0.335241 0.749958 Na\n0.500003 0.835222 0.750022 Na\n0.499994 0.164755 0.249985 Na\n0.000011 0.664781 0.250038 Na\n0.500010 0.499998 0.499974 Fe\n0.499997 0.499998 0.000021 Fe\n-0.000011 0.000001 0.500027 Fe\n0.000002 0.000002 0.999979 Fe\n0.000001 0.331660 0.249964 B\n0.500001 0.831674 0.250030 B\n0.499991 0.168338 0.749974 B\n0.000005 0.668326 0.750034 B\n0.214759 0.407694 0.314696 O\n0.500012 0.323278 0.749919 O\n-0.000031 0.823270 0.750021 O\n0.000028 0.176718 0.249982 O\n0.499998 0.676732 0.250075 O\n0.285204 0.092321 0.685263 O\n0.785244 0.592294 0.685305 O\n0.714748 0.092327 0.814740 O\n0.214807 0.592336 0.814768 O\n0.785209 0.407657 0.185222 O\n0.285229 0.907676 0.185274 O\n0.714787 0.907693 0.314741 O\n",
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],
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"density": 3.727767567585427,
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"volume": 245.25476347697995,
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"spacegroup": 15
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{
"id": "jvasp-116849",
"created_at": "2022-09-04T14:38:44.046611Z",
"updated_at": "2022-09-04T14:38:44.046638Z",
"structure_string": "Li2 V4 F14\n1.0\n8.888676 0.013806 0.295887\n7.586146 4.632402 0.295887\n-0.087722 -0.024739 5.471252\nLi V F\n2 4 14\ndirect\n0.500000 0.000000 0.000000 Li\n0.000001 0.500000 0.500000 Li\n0.149975 0.639883 0.800127 V\n0.639883 0.149975 0.300127 V\n0.360118 0.850025 0.699873 V\n0.850026 0.360118 0.199873 V\n0.644670 0.501067 0.896638 F\n0.501068 0.644669 0.396638 F\n0.209510 0.069826 0.006431 F\n0.069826 0.209510 0.506431 F\n0.617617 0.795975 0.688813 F\n0.795975 0.617616 0.188813 F\n0.930175 0.790490 0.493569 F\n0.382384 0.204026 0.311187 F\n0.107104 0.892897 0.750000 F\n0.790491 0.930175 0.993569 F\n0.498933 0.355331 0.603363 F\n0.355331 0.498933 0.103363 F\n0.204026 0.382384 0.811187 F\n0.892897 0.107104 0.250000 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 3.57177761842231,
"density_atomic": 0.08895205545969437,
"volume": 224.84022315889402,
"volume_molar": 6.770097361863358,
"formula_full": "Li2 V4 F14",
"formula_reduced": "LiV2F7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 0.69831103775,
"spacegroup": 15
}
]
}