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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=920",
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"results": [
{
"id": "jvasp-91490",
"created_at": "2022-09-04T14:36:08.623731Z",
"updated_at": "2022-09-04T14:36:08.623763Z",
"structure_string": "Li4 Ta4 Si4 O20\n1.0\n7.517398 -0.014904 0.000000\n-3.701996 6.552322 0.000000\n0.000000 0.000000 7.917233\nLi Ta Si O\n4 4 4 20\ndirect\n0.751130 0.308654 0.434216 Li\n0.248870 0.691346 0.565783 Li\n0.751130 0.808654 0.065783 Li\n0.248870 0.191347 0.934216 Li\n0.748430 0.007466 0.739446 Ta\n0.748430 0.507466 0.760553 Ta\n0.251570 0.992534 0.260553 Ta\n0.251570 0.492534 0.239447 Ta\n0.749575 0.740498 0.387928 Si\n0.749575 0.240499 0.112072 Si\n0.250425 0.259502 0.612072 Si\n0.250425 0.759502 0.887928 Si\n0.055368 0.649533 0.757968 O\n0.245033 0.935133 0.006957 O\n0.055368 0.149533 0.742031 O\n0.260639 0.588730 0.010535 O\n0.248950 0.247206 0.171812 O\n0.754967 0.564867 0.506957 O\n0.751050 0.752794 0.828187 O\n0.245033 0.435133 0.493043 O\n0.739361 0.411271 0.989464 O\n0.751050 0.252795 0.671812 O\n0.944632 0.350467 0.242031 O\n0.260640 0.088730 0.489464 O\n0.754967 0.064868 0.993043 O\n0.739360 0.911271 0.510535 O\n0.557332 0.148172 0.245540 O\n0.944632 0.850467 0.257968 O\n0.248950 0.747206 0.328187 O\n0.442668 0.851828 0.754459 O\n0.442668 0.351828 0.745540 O\n0.557332 0.648172 0.254459 O\n",
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{
"id": "jvasp-116544",
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"updated_at": "2022-09-04T14:38:42.029279Z",
"structure_string": "Sr3 Li6 Si3 O12\n1.0\n5.036270 -0.000000 0.000000\n-2.518135 4.361538 0.000000\n-0.000000 -0.000000 12.486220\nSr Li Si O\n3 6 3 12\ndirect\n0.416019 0.000000 0.833333 Sr\n0.583981 0.583981 0.500000 Sr\n0.000000 0.416019 0.166667 Sr\n0.663436 0.591506 0.745896 Li\n0.928071 0.336565 0.412562 Li\n0.408494 0.071930 0.079229 Li\n0.336566 0.928071 0.587438 Li\n0.591506 0.663436 0.254104 Li\n0.071930 0.408495 0.920771 Li\n0.721523 0.721523 -0.000000 Si\n0.000000 0.278478 0.666667 Si\n0.278477 0.000000 0.333333 Si\n0.761055 0.068868 0.003418 O\n0.547927 0.512266 0.106813 O\n0.964341 0.452074 0.773480 O\n0.487735 0.035660 0.440146 O\n0.452075 0.964341 0.226520 O\n0.512266 0.547927 0.893188 O\n0.035660 0.487735 0.559855 O\n0.068869 0.761055 0.996582 O\n0.692188 0.931133 0.663248 O\n0.238946 0.307813 0.329915 O\n0.931133 0.692187 0.336752 O\n0.307813 0.238945 0.670085 O\n",
"nsites": 24,
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"elements": [
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],
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"density_atomic": 0.08750474294106961,
"volume": 274.2708474232407,
"volume_molar": 6.882073539780162,
"formula_full": "Sr3 Li6 Si3 O12",
"formula_reduced": "SrLi2SiO4",
"formula_anonymous": "ABC2D4",
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"spacegroup": 152
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{
"id": "jvasp-20967",
"created_at": "2022-09-04T14:38:34.620095Z",
"updated_at": "2022-09-04T14:38:34.620110Z",
"structure_string": "Li4 Si4 O10\n1.0\n4.817435 -0.000329 0.000130\n0.000430 5.412220 -2.148644\n-0.000214 0.011504 7.919721\nLi Si O\n4 4 10\ndirect\n0.596818 0.705366 0.113925 Li\n0.096818 0.591442 0.886076 Li\n0.096818 0.402179 0.113923 Li\n0.596819 0.288257 0.886077 Li\n0.094384 0.005783 0.705029 Si\n0.094383 0.987838 0.294971 Si\n0.594384 0.300754 0.294970 Si\n0.594384 0.692868 0.705030 Si\n0.534822 0.496810 0.500001 O\n0.931268 0.763790 0.726380 O\n0.431267 0.037411 0.273620 O\n0.431267 0.956210 0.726380 O\n0.931267 0.229831 0.273620 O\n-0.003376 0.735338 0.141470 O\n-0.003376 0.258283 0.858529 O\n0.496624 0.399755 0.141471 O\n0.496625 0.593869 0.858531 O\n0.034821 0.996809 0.499999 O\n",
"nsites": 18,
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"elements": [
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],
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"volume": 206.61010711054783,
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"formula_full": "Li4 Si4 O10",
"formula_reduced": "Li2Si2O5",
"formula_anonymous": "A2B2C5",
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"spacegroup": 37
},
{
"id": "jvasp-21530",
"created_at": "2022-09-04T14:35:51.956892Z",
"updated_at": "2022-09-04T14:35:51.956919Z",
"structure_string": "Li4 Si2 O6\n1.0\n4.708958 0.000000 0.000000\n0.000000 4.663768 -2.678341\n0.000000 0.004695 5.407833\nLi Si O\n4 2 6\ndirect\n0.007160 0.831066 0.349088 Li\n0.507160 0.168936 0.650912 Li\n0.507160 0.518024 0.349088 Li\n0.007160 0.481978 0.650912 Li\n0.501200 0.826734 0.000000 Si\n0.001200 0.173266 0.000000 Si\n0.856178 0.882906 0.000000 O\n0.416551 0.542139 0.707465 O\n0.416551 0.834674 0.292536 O\n0.356177 0.117094 0.000000 O\n0.916551 0.165328 0.707465 O\n0.916551 0.457863 0.292536 O\n",
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"formula_full": "Li4 Si2 O6",
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"spacegroup": 36
},
{
"id": "jvasp-10870",
"created_at": "2022-09-04T14:38:29.216900Z",
"updated_at": "2022-09-04T14:38:29.216927Z",
"structure_string": "Li8 Si2 O8\n1.0\n5.022365 0.004164 0.000936\n1.858880 4.669313 -0.004312\n2.453927 0.045953 7.100265\nLi Si O\n8 2 8\ndirect\n0.762661 0.735057 0.006199 Li\n0.237341 0.264941 0.993802 Li\n0.510215 0.761908 0.445219 Li\n0.489788 0.238090 0.554782 Li\n0.080741 0.250524 0.408382 Li\n0.919262 0.749474 0.591618 Li\n0.610817 0.212758 0.194472 Li\n0.389185 0.787240 0.805529 Li\n0.158775 0.782347 0.235629 Si\n0.841227 0.217650 0.764371 Si\n0.637971 0.010257 0.806431 O\n0.362031 0.989741 0.193569 O\n0.301041 0.518639 0.374073 O\n0.698961 0.481359 0.625927 O\n0.817168 0.969108 0.369313 O\n0.182834 0.030890 0.630688 O\n0.151520 0.665056 0.044525 O\n0.848482 0.334942 0.955475 O\n",
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],
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"density_atomic": 0.1081447274418032,
"volume": 166.44362074597197,
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"formula_full": "Li8 Si2 O8",
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"formula_anonymous": "AB4C4",
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"spacegroup": 2
},
{
"id": "jvasp-24767",
"created_at": "2022-09-04T14:38:04.816631Z",
"updated_at": "2022-09-04T14:38:04.816658Z",
"structure_string": "Li16 Si2 O12\n1.0\n2.705688 -4.686390 -0.000000\n2.705688 4.686390 -0.000000\n0.000000 0.000000 10.601726\nLi Si O\n16 2 12\ndirect\n0.000000 0.691420 0.730053 Li\n0.308580 0.000000 0.230053 Li\n0.691420 0.000000 0.730053 Li\n0.308581 0.308581 0.730053 Li\n0.604580 0.604580 0.870651 Li\n0.604580 0.000000 0.370651 Li\n0.000000 0.604580 0.370651 Li\n0.000000 0.395420 0.870651 Li\n0.000000 0.308580 0.230053 Li\n0.395421 0.395421 0.370651 Li\n0.666667 0.333333 0.588485 Li\n0.333333 0.666667 0.088484 Li\n0.666667 0.333333 0.088484 Li\n0.333333 0.666667 0.588485 Li\n0.691420 0.691420 0.230053 Li\n0.395420 0.000000 0.870651 Li\n0.000000 0.000000 0.500341 Si\n0.000000 0.000000 0.000340 Si\n0.290655 0.000000 0.047057 O\n0.290655 0.290655 0.547057 O\n0.709346 0.709346 0.047057 O\n0.333333 0.666667 0.280784 O\n0.666667 0.333333 0.280784 O\n0.709346 0.000000 0.547057 O\n0.000000 0.000000 0.341540 O\n0.000000 0.000000 0.841540 O\n0.000000 0.709346 0.547057 O\n0.000000 0.290655 0.047057 O\n0.333333 0.666667 0.780784 O\n0.666667 0.333333 0.780784 O\n",
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],
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"volume": 268.85784579649516,
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"formula_full": "Li16 Si2 O12",
"formula_reduced": "Li8SiO6",
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"spacegroup": 185
},
{
"id": "jvasp-93665",
"created_at": "2022-09-04T14:35:52.789924Z",
"updated_at": "2022-09-04T14:35:52.789940Z",
"structure_string": "Li1 Ti1 Se2 O2\n1.0\n-1.725621 -2.988097 0.004767\n-1.724959 2.987715 -0.000000\n0.016088 0.009288 -9.219921\nLi Ti Se O\n1 1 2 2\ndirect\n-0.000000 -0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Ti\n0.335307 0.667654 0.171729 Se\n0.664692 0.332346 0.828271 Se\n0.334668 0.667335 0.564051 O\n0.665331 0.332665 0.435948 O\n",
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],
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"density_atomic": 0.06311991719871751,
"volume": 95.05715891721592,
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"formula_full": "Li1 Ti1 Se2 O2",
"formula_reduced": "LiTi(SeO)2",
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"spacegroup": 164
},
{
"id": "jvasp-21223",
"created_at": "2022-09-04T14:37:06.468109Z",
"updated_at": "2022-09-04T14:37:06.468127Z",
"structure_string": "Li8 Se2 O10\n1.0\n5.207365 0.008974 0.645075\n2.038969 4.791589 0.645075\n0.021893 0.014503 7.848700\nLi Se O\n8 2 10\ndirect\n0.363811 0.032883 0.353544 Li\n0.967116 0.636188 0.146455 Li\n0.566093 0.223656 0.943504 Li\n0.776343 0.433905 0.556495 Li\n0.433906 0.776343 0.056495 Li\n0.223656 0.566093 0.443504 Li\n0.636189 0.967116 0.646455 Li\n0.032883 0.363810 0.853544 Li\n0.828673 0.171326 0.249999 Se\n0.171326 0.828673 0.749999 Se\n0.866373 0.133625 0.750000 O\n0.133626 0.866374 0.249999 O\n0.414200 0.767159 0.571514 O\n0.232840 0.585799 0.928485 O\n0.585799 0.232839 0.428485 O\n0.767159 0.414200 0.071514 O\n0.348991 0.006881 0.841109 O\n0.993117 0.651008 0.658890 O\n0.006882 0.348991 0.341109 O\n0.651009 0.993117 0.158890 O\n",
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"density_atomic": 0.10225134215245041,
"volume": 195.59645456957662,
"volume_molar": 5.889546907874677,
"formula_full": "Li8 Se2 O10",
"formula_reduced": "Li4SeO5",
"formula_anonymous": "AB4C5",
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"spacegroup": 15
},
{
"id": "jvasp-21040",
"created_at": "2022-09-04T14:38:20.354923Z",
"updated_at": "2022-09-04T14:38:20.354942Z",
"structure_string": "Li12 Se6 O24\n1.0\n8.256008 -0.002882 -2.649208\n-3.631549 7.414414 -2.649208\n-0.001798 -0.002882 8.670639\nLi Se O\n12 6 24\ndirect\n0.064717 0.296430 0.892395 Li\n0.377191 0.776602 0.602509 Li\n0.776602 0.602510 0.377191 Li\n0.602510 0.377191 0.776602 Li\n0.223398 0.397490 0.622809 Li\n0.397490 0.622809 0.223398 Li\n0.622809 0.223398 0.397490 Li\n0.107605 0.935282 0.703570 Li\n0.935282 0.703570 0.107605 Li\n0.296429 0.892394 0.064717 Li\n0.892395 0.064718 0.296430 Li\n0.703570 0.107606 0.935282 Li\n0.734803 0.962666 0.551965 Se\n0.265196 0.037334 0.448034 Se\n0.448034 0.265196 0.037333 Se\n0.037333 0.448034 0.265196 Se\n0.962666 0.551966 0.734803 Se\n0.551965 0.734803 0.962666 Se\n0.862023 0.853519 0.534861 O\n0.472861 0.522508 0.810547 O\n0.189453 0.527138 0.477491 O\n0.527138 0.477492 0.189453 O\n0.477492 0.189453 0.527138 O\n0.522508 0.810547 0.472861 O\n0.231709 0.186237 0.894586 O\n0.186236 0.894586 0.231709 O\n0.105414 0.768291 0.813763 O\n0.768291 0.813763 0.105413 O\n0.813763 0.105414 0.768291 O\n0.922920 0.570531 0.252365 O\n0.570531 0.252366 0.922920 O\n0.894586 0.231709 0.186236 O\n0.077080 0.429469 0.747634 O\n0.429469 0.747634 0.077079 O\n0.747634 0.077080 0.429469 O\n0.146480 0.465139 0.137977 O\n0.465139 0.137977 0.146480 O\n0.252365 0.922920 0.570531 O\n0.810547 0.472862 0.522508 O\n0.534861 0.862023 0.853519 O\n0.137977 0.146480 0.465139 O\n0.853520 0.534861 0.862023 O\n",
"nsites": 42,
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"elements": [
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],
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"density": 2.945340421885367,
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"volume": 530.5429845488746,
"volume_molar": 7.607153648056734,
"formula_full": "Li12 Se6 O24",
"formula_reduced": "Li2SeO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.8045039095238091,
"spacegroup": 148
},
{
"id": "jvasp-42636",
"created_at": "2022-09-04T14:36:12.637676Z",
"updated_at": "2022-09-04T14:36:12.637687Z",
"structure_string": "Li2 Sc2 V2 O8\n1.0\n2.904943 -5.288325 0.008540\n2.904943 5.288325 -0.008540\n2.904943 1.601947 5.039863\nLi Sc V O\n2 2 2 8\ndirect\n0.117894 0.250000 0.132105 Li\n0.882104 0.749999 0.867894 Li\n0.500000 -0.000000 0.000000 Sc\n0.499999 0.500000 0.500000 Sc\n0.500000 -0.000000 0.500000 V\n-0.000001 0.500000 0.500000 V\n0.286036 0.012319 0.726282 O\n0.238601 0.512319 0.273717 O\n0.253917 0.534580 0.711502 O\n0.253917 0.965420 0.280661 O\n0.746082 0.034579 0.719338 O\n0.746082 0.465420 0.288497 O\n0.761398 0.487681 0.726282 O\n0.713963 0.987681 0.273717 O\n",
"nsites": 14,
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"elements": [
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],
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"density": 3.576362634948344,
"density_atomic": 0.09036509121744288,
"volume": 154.9270831400171,
"volume_molar": 6.66423358718147,
"formula_full": "Li2 Sc2 V2 O8",
"formula_reduced": "LiScVO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 74
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{
"id": "jvasp-86916",
"created_at": "2022-09-04T14:35:52.072390Z",
"updated_at": "2022-09-04T14:35:52.072409Z",
"structure_string": "Li2 Sc2 O4\n1.0\n3.890182 -0.000000 -1.592877\n-0.652220 3.835117 -1.592877\n-0.017142 -0.020304 5.504947\nLi Sc O\n2 2 4\ndirect\n0.875000 0.125001 0.750000 Li\n0.125000 0.875001 0.250000 Li\n0.625000 0.375000 0.250000 Sc\n0.375000 0.625001 0.750000 Sc\n0.144761 0.394761 0.289521 O\n0.394761 0.144761 0.789521 O\n0.605239 0.855240 0.210479 O\n0.855240 0.605241 0.710479 O\n",
"nsites": 8,
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"elements": [
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],
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"density": 3.402904801249805,
"density_atomic": 0.0977059314454022,
"volume": 81.87834537425579,
"volume_molar": 6.16353651299579,
"formula_full": "Li2 Sc2 O4",
"formula_reduced": "LiScO2",
"formula_anonymous": "ABC2",
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"spacegroup": 141
},
{
"id": "jvasp-34694",
"created_at": "2022-09-04T14:38:13.826547Z",
"updated_at": "2022-09-04T14:38:13.826558Z",
"structure_string": "Li3 Zn2 Sb1 O6\n1.0\n5.131553 -0.005100 -0.916133\n-1.399062 4.370886 -2.613040\n0.005926 -0.002362 5.281095\nLi Zn Sb O\n3 2 1 6\ndirect\n0.500001 0.170882 0.829118 Li\n0.500000 0.829119 0.170882 Li\n0.500000 0.500001 0.500000 Li\n0.000001 0.333539 0.666462 Zn\n0.000001 0.666463 0.333538 Zn\n0.000000 0.000000 0.000000 Sb\n0.761464 0.921795 0.606442 O\n0.230428 0.763452 0.763451 O\n0.238537 0.078206 0.393558 O\n0.761464 0.606443 0.921794 O\n0.769573 0.236549 0.236549 O\n0.238537 0.393559 0.078206 O\n",
"nsites": 12,
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"elements": [
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],
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"density": 5.180584688216571,
"density_atomic": 0.10134844551365768,
"volume": 118.40339473566848,
"volume_molar": 5.942015913000322,
"formula_full": "Li3 Zn2 Sb1 O6",
"formula_reduced": "Li3Zn2SbO6",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 1.3698831583333333,
"spacegroup": 12
}
]
}