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=volume&page=3857",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=3855",
"results": [
{
"id": "jvasp-88250",
"created_at": "2022-09-04T14:35:48.576742Z",
"updated_at": "2022-09-04T14:35:48.576760Z",
"structure_string": "Li3 Al3 Si3 O12\n1.0\n5.281927 0.000000 -0.000000\n-2.640964 4.574283 0.000000\n0.000000 0.000000 11.454413\nLi Al Si O\n3 3 3 12\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.666667 Li\n0.000000 0.000000 0.333333 Li\n0.500000 0.500000 0.166667 Al\n0.000000 0.500000 0.833333 Al\n0.500000 -0.000000 0.500000 Al\n0.500000 0.500000 0.666667 Si\n0.000000 0.500000 0.333333 Si\n0.500000 -0.000000 0.000000 Si\n0.204870 0.398237 0.744446 O\n0.806632 0.204869 0.411114 O\n0.398238 0.193368 0.077780 O\n0.806632 0.601762 0.255553 O\n0.193369 0.795130 0.411114 O\n0.795131 0.193368 0.922220 O\n0.601763 0.795130 0.588886 O\n0.193368 0.398237 0.255553 O\n0.204870 0.806631 0.922220 O\n0.398238 0.204869 0.588886 O\n0.795131 0.601762 0.744446 O\n0.601763 0.806631 0.077780 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Li",
"Al",
"Si",
"O"
],
"chemical_system": "Al-Li-O-Si",
"density": 2.2681515508483456,
"density_atomic": 0.07588064821933242,
"volume": 276.7504033347167,
"volume_molar": 7.936332782230655,
"formula_full": "Li3 Al3 Si3 O12",
"formula_reduced": "LiAlSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.045510771428572,
"spacegroup": 181
},
{
"id": "jvasp-57705",
"created_at": "2022-09-04T14:38:16.573740Z",
"updated_at": "2022-09-04T14:38:16.573752Z",
"structure_string": "Yb1 Mo6 S8\n1.0\n6.517037 0.007037 0.078318\n0.077468 6.516581 0.078318\n0.007114 0.007037 6.517503\nYb Mo S\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Yb\n0.224846 0.418866 0.560252 Mo\n0.581134 0.439749 0.775154 Mo\n0.439748 0.775155 0.581135 Mo\n0.560252 0.224846 0.418865 Mo\n0.418866 0.560252 0.224846 Mo\n0.775154 0.581135 0.439748 Mo\n0.761096 0.761096 0.761096 S\n0.873819 0.250620 0.625206 S\n0.250619 0.625206 0.873819 S\n0.625206 0.873819 0.250619 S\n0.126181 0.749381 0.374794 S\n0.749381 0.374795 0.126181 S\n0.238904 0.238905 0.238904 S\n0.374794 0.126181 0.749381 S\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Yb",
"Mo",
"S"
],
"chemical_system": "Mo-S-Yb",
"density": 6.0306925359850965,
"density_atomic": 0.0541947065427789,
"volume": 276.77979929939585,
"volume_molar": 11.112046072703407,
"formula_full": "Yb1 Mo6 S8",
"formula_reduced": "Yb(Mo3S4)2",
"formula_anonymous": "AB6C8",
"energy_above_hull": 4.099626406666666,
"spacegroup": 148
},
{
"id": "jvasp-23446",
"created_at": "2022-09-04T14:37:38.792877Z",
"updated_at": "2022-09-04T14:37:38.792902Z",
"structure_string": "Cu4 S4 O16\n1.0\n4.871174 0.000000 0.000000\n0.000000 6.710214 0.000000\n0.000000 0.000000 8.468999\nCu S O\n4 4 16\ndirect\n0.500000 0.500000 0.500000 Cu\n0.000000 0.500000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.953780 0.750000 0.683325 S\n0.453780 0.250000 0.816675 S\n0.046219 0.250000 0.316675 S\n0.546219 0.750000 0.183325 S\n0.067620 0.250000 0.135347 O\n0.567620 0.750000 0.364653 O\n0.241063 0.750000 0.633967 O\n0.741062 0.250000 0.866033 O\n0.758937 0.250000 0.366033 O\n0.258937 0.750000 0.133967 O\n0.684301 0.934426 0.131496 O\n0.315698 0.065574 0.868504 O\n0.315698 0.434426 0.868504 O\n0.815698 0.565573 0.631496 O\n0.432379 0.250000 0.635347 O\n0.815698 0.934426 0.631496 O\n0.684301 0.565573 0.131496 O\n0.184301 0.434426 0.368504 O\n0.184301 0.065574 0.368504 O\n0.932379 0.750000 0.864653 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Cu",
"S",
"O"
],
"chemical_system": "Cu-O-S",
"density": 3.8296870096112374,
"density_atomic": 0.08669801344009934,
"volume": 276.8229518497777,
"volume_molar": 6.9461115901585995,
"formula_full": "Cu4 S4 O16",
"formula_reduced": "CuSO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.8718224083333337,
"spacegroup": 62
},
{
"id": "jvasp-4080",
"created_at": "2022-09-04T14:36:46.004371Z",
"updated_at": "2022-09-04T14:36:46.004398Z",
"structure_string": "Pd1 Se2 Br6\n1.0\n4.655152 -0.134872 -0.123127\n-0.413425 7.000646 0.003691\n-1.029467 -2.515726 8.539883\nPd Se Br\n1 2 6\ndirect\n0.000000 0.500000 0.500000 Pd\n0.661365 0.260889 0.288119 Se\n0.338635 0.739111 0.711880 Se\n0.325002 0.638954 0.347786 Br\n0.674998 0.361046 0.652213 Br\n0.737853 0.306874 0.043785 Br\n0.077726 0.020439 0.714976 Br\n0.922273 -0.020439 0.285023 Br\n0.262146 0.693126 0.956214 Br\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Pd",
"Se",
"Br"
],
"chemical_system": "Br-Pd-Se",
"density": 4.460932244618788,
"density_atomic": 0.032507523510792086,
"volume": 276.85898610554307,
"volume_molar": 18.52537538887183,
"formula_full": "Pd1 Se2 Br6",
"formula_reduced": "Pd(SeBr3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.4957452292592594,
"spacegroup": 2
},
{
"id": "jvasp-119728",
"created_at": "2022-09-04T14:38:50.443862Z",
"updated_at": "2022-09-04T14:38:50.443884Z",
"structure_string": "Fe10 O15 F5\n1.0\n4.397817 0.029717 0.000000\n-0.298462 4.387778 0.000000\n-0.000000 -0.000000 14.341720\nFe O F\n10 15 5\ndirect\n0.997233 0.002769 0.600213 Fe\n0.525768 0.474233 0.698489 Fe\n0.525768 0.474233 0.301511 Fe\n0.523143 0.476859 0.100042 Fe\n0.464795 0.535206 0.500000 Fe\n0.523143 0.476859 0.899958 Fe\n0.981605 0.018397 -0.000000 Fe\n0.978521 0.021480 0.199708 Fe\n0.997233 0.002769 0.399787 Fe\n0.978521 0.021480 0.800292 Fe\n0.692795 0.699796 0.599699 O\n0.183251 0.816752 0.500000 O\n0.701003 0.694011 0.799769 O\n0.701125 0.694460 -0.000000 O\n0.701003 0.694011 0.200231 O\n0.692795 0.699796 0.400301 O\n0.305990 0.298999 0.799769 O\n0.300206 0.307207 0.599699 O\n0.305990 0.298999 0.200231 O\n0.300206 0.307207 0.400301 O\n0.807212 0.192789 0.700026 O\n0.803600 0.196402 0.900335 O\n0.803600 0.196402 0.099665 O\n0.807212 0.192789 0.299974 O\n0.305541 0.298877 -0.000000 O\n0.198580 0.801422 0.698987 F\n0.794711 0.205290 0.500000 F\n0.200449 0.799552 0.100012 F\n0.198580 0.801422 0.301013 F\n0.200449 0.799552 0.899988 F\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 5.358318008998483,
"density_atomic": 0.10835242727872213,
"volume": 276.8742773323297,
"volume_molar": 5.557919569728556,
"formula_full": "Fe10 O15 F5",
"formula_reduced": "Fe2O3F",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.3115552970833333,
"spacegroup": 38
},
{
"id": "jvasp-25896",
"created_at": "2022-09-04T14:38:19.552764Z",
"updated_at": "2022-09-04T14:38:19.552778Z",
"structure_string": "Ba2 Nd4 Pt2 O10\n1.0\n6.807319 0.000000 -0.000000\n0.000000 6.807319 0.000000\n0.000000 0.000000 5.975401\nBa Nd Pt O\n2 4 2 10\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.000000 Ba\n0.173371 0.326629 0.500000 Nd\n0.673371 0.173371 0.500000 Nd\n0.326629 0.826629 0.500000 Nd\n0.826629 0.673371 0.500000 Nd\n0.500000 0.000000 0.000000 Pt\n0.000000 0.500000 0.000000 Pt\n0.139883 0.639918 0.746784 O\n0.860118 0.360082 0.746784 O\n0.500000 0.500000 0.500000 O\n0.360082 0.139883 0.253216 O\n0.000000 0.000000 0.500000 O\n0.860082 0.360118 0.253216 O\n0.139918 0.639883 0.253216 O\n0.360118 0.139918 0.746784 O\n0.639883 0.860082 0.746784 O\n0.639918 0.860118 0.253216 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ba",
"Nd",
"Pt",
"O"
],
"chemical_system": "Ba-Nd-O-Pt",
"density": 8.406417114152573,
"density_atomic": 0.06500597017739554,
"volume": 276.897644183751,
"volume_molar": 9.26398105214969,
"formula_full": "Ba2 Nd4 Pt2 O10",
"formula_reduced": "BaNd2PtO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 2.012345318888889,
"spacegroup": 127
},
{
"id": "jvasp-112301",
"created_at": "2022-09-04T14:38:26.948895Z",
"updated_at": "2022-09-04T14:38:26.948907Z",
"structure_string": "Sc4 Co6 Si10\n1.0\n7.258258 -0.012922 2.463133\n-1.401021 7.121770 2.463133\n-0.001890 -0.002294 5.357196\nSc Co Si\n4 6 10\ndirect\n0.872207 0.591109 0.765274 Sc\n0.408892 0.127794 0.734725 Sc\n0.127793 0.408892 0.234725 Sc\n0.591109 0.872207 0.265274 Sc\n0.002405 0.997595 0.750000 Co\n0.543903 0.262947 0.126991 Co\n0.997595 0.002406 0.249999 Co\n0.456098 0.737054 0.873007 Co\n0.262947 0.543903 0.626992 Co\n0.737054 0.456098 0.373007 Co\n0.773574 0.226427 0.749999 Si\n0.075279 0.265762 0.828755 Si\n0.734239 0.924721 0.671244 Si\n0.924721 0.734239 0.171244 Si\n0.265761 0.075279 0.328754 Si\n0.209349 0.790651 0.750000 Si\n0.790651 0.209349 0.249999 Si\n0.513768 0.486233 0.750000 Si\n0.486233 0.513768 0.249999 Si\n0.226426 0.773574 0.249999 Si\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sc",
"Co",
"Si"
],
"chemical_system": "Co-Sc-Si",
"density": 4.883004228317127,
"density_atomic": 0.07222630447428705,
"volume": 276.90742514896505,
"volume_molar": 8.337877458681158,
"formula_full": "Sc4 Co6 Si10",
"formula_reduced": "Sc2Co3Si5",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 3.61208562,
"spacegroup": 15
},
{
"id": "jvasp-28453",
"created_at": "2022-09-04T14:36:32.076544Z",
"updated_at": "2022-09-04T14:36:32.076569Z",
"structure_string": "W3 Se6\n1.0\n3.327275 -0.000000 0.000000\n-1.663638 2.881504 -0.000000\n-0.000000 -0.000000 28.884978\nW Se\n3 6\ndirect\n0.666668 0.333332 0.346642 W\n0.333333 0.666666 0.117662 W\n0.333333 0.666666 0.575621 W\n0.333333 0.666666 0.404890 Se\n0.666668 0.333332 0.175918 Se\n0.666668 0.333332 0.633806 Se\n0.333333 0.666666 0.288394 Se\n0.666668 0.333332 0.059477 Se\n0.666668 0.333332 0.517366 Se\n",
"nsites": 9,
"nelements": 2,
"elements": [
"W",
"Se"
],
"chemical_system": "Se-W",
"density": 6.147685166344572,
"density_atomic": 0.03249844226885983,
"volume": 276.93635053467915,
"volume_molar": 18.530552049783765,
"formula_full": "W3 Se6",
"formula_reduced": "WSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.0453755777777776,
"spacegroup": 187
},
{
"id": "jvasp-96876",
"created_at": "2022-09-04T14:36:01.989933Z",
"updated_at": "2022-09-04T14:36:01.989957Z",
"structure_string": "Li4 H8 N4 O12\n1.0\n3.087080 0.000000 -1.016759\n0.000000 14.088070 0.000000\n-0.247602 0.000000 6.449941\nLi H N O\n4 8 4 12\ndirect\n0.392692 0.663419 0.145581 Li\n0.607308 0.163419 0.354419 Li\n0.607308 0.336581 0.854419 Li\n0.392693 0.836581 0.645581 Li\n0.061320 0.034556 0.258082 H\n0.938680 0.534556 0.241918 H\n0.938681 0.965444 0.741918 H\n0.061320 0.465444 0.758082 H\n0.906171 0.113679 0.062098 H\n0.093829 0.613679 0.437902 H\n0.093829 0.886321 0.937902 H\n0.906171 0.386321 0.562098 H\n0.744818 0.360142 0.271823 N\n0.255182 0.860142 0.228177 N\n0.255183 0.639858 0.728177 N\n0.744818 0.139858 0.771823 N\n0.596072 0.218157 0.679069 O\n0.403929 0.718157 0.820931 O\n0.403929 0.781843 0.320931 O\n0.596071 0.281843 0.179069 O\n0.815387 0.078716 0.644384 O\n0.184614 0.578716 0.855615 O\n0.184614 0.921284 0.355615 O\n0.815386 0.421284 0.144384 O\n0.020441 0.104093 0.226038 O\n0.979559 0.604093 0.273962 O\n0.979559 0.895907 0.773962 O\n0.020442 0.395907 0.726038 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"H",
"N",
"O"
],
"chemical_system": "H-Li-N-O",
"density": 1.7017842063174633,
"density_atomic": 0.10109482634160512,
"volume": 276.96768482876087,
"volume_molar": 5.956922800036123,
"formula_full": "Li4 H8 N4 O12",
"formula_reduced": "LiH2NO3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 2.825367678571429,
"spacegroup": 14
},
{
"id": "jvasp-117414",
"created_at": "2022-09-04T14:38:49.834036Z",
"updated_at": "2022-09-04T14:38:49.834066Z",
"structure_string": "Li2 Mn4 F18\n1.0\n4.723885 0.179720 -0.519484\n-1.261188 7.665857 -2.706513\n1.130878 0.213463 7.415320\nLi Mn F\n2 4 18\ndirect\n0.102659 0.178183 0.393792 Li\n-0.102659 0.821817 0.606209 Li\n0.586675 0.221409 0.771250 Mn\n0.331304 0.658265 0.813700 Mn\n0.668695 0.341734 0.186301 Mn\n0.413324 0.778591 0.228751 Mn\n0.796754 0.233346 0.575430 F\n0.524862 0.552846 0.185765 F\n0.712757 0.870192 0.367070 F\n-0.131779 0.335718 -0.045209 F\n0.059022 0.537013 0.673549 F\n0.609455 0.776552 0.000562 F\n0.817618 0.148978 0.178429 F\n0.182380 0.851022 0.821572 F\n0.131778 0.664283 0.045209 F\n0.940977 0.462987 0.326452 F\n0.713737 0.021811 0.759674 F\n0.287241 0.129808 0.632930 F\n0.475137 0.447154 0.814236 F\n0.203245 0.766654 0.424570 F\n0.286262 -0.021811 0.240327 F\n0.573704 0.667086 0.630444 F\n0.390543 0.223449 -0.000561 F\n0.426295 0.332914 0.369557 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.4502054544378478,
"density_atomic": 0.08663277257987373,
"volume": 277.0314199268235,
"volume_molar": 6.951342523925001,
"formula_full": "Li2 Mn4 F18",
"formula_reduced": "LiMn2F9",
"formula_anonymous": "AB2C9",
"energy_above_hull": 0.5875530854382183,
"spacegroup": 2
},
{
"id": "jvasp-10594",
"created_at": "2022-09-04T14:37:53.272950Z",
"updated_at": "2022-09-04T14:37:53.272968Z",
"structure_string": "Al4 Cd2 S8\n1.0\n6.336935 -0.000000 3.658631\n2.112312 5.974519 3.658631\n0.000000 0.000000 7.317262\nAl Cd S\n4 2 8\ndirect\n0.500000 0.000000 0.500000 Al\n-0.000000 0.500000 0.500000 Al\n0.499999 0.500000 0.500000 Al\n0.499999 0.500000 0.000000 Al\n0.874999 0.875000 0.875000 Cd\n0.125000 0.125000 0.125000 Cd\n0.264431 0.264431 0.706706 S\n0.735568 0.735569 0.735569 S\n0.264431 0.264431 0.264431 S\n0.735568 0.735569 0.293294 S\n0.293293 0.735569 0.735569 S\n0.735568 0.293294 0.735569 S\n0.706705 0.264431 0.264431 S\n0.264431 0.706706 0.264431 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Al",
"Cd",
"S"
],
"chemical_system": "Al-Cd-S",
"density": 3.5320859581353448,
"density_atomic": 0.05053557727626916,
"volume": 277.0325531944446,
"volume_molar": 11.916635931708093,
"formula_full": "Al4 Cd2 S8",
"formula_reduced": "Al2CdS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.3208536214285715,
"spacegroup": 227
},
{
"id": "jvasp-12405",
"created_at": "2022-09-04T14:37:05.320316Z",
"updated_at": "2022-09-04T14:37:05.320337Z",
"structure_string": "Tb7 O12\n1.0\n6.534622 -0.015295 -1.087743\n-1.281306 6.407790 -1.087743\n-0.012569 -0.015294 6.624523\nTb O\n7 12\ndirect\n0.000000 0.000000 0.000000 Tb\n0.301380 0.138605 0.608305 Tb\n0.608305 0.301381 0.138604 Tb\n0.861395 0.391696 0.698620 Tb\n0.698619 0.861397 0.391695 Tb\n0.391694 0.698621 0.861396 Tb\n0.138604 0.608305 0.301380 Tb\n0.062936 0.935426 0.326041 O\n0.935426 0.326041 0.062937 O\n0.179063 0.436028 0.578467 O\n0.064573 0.673960 0.937064 O\n0.326041 0.062937 0.935426 O\n0.421532 0.820937 0.563972 O\n0.563972 0.421534 0.820937 O\n0.820936 0.563973 0.421533 O\n0.578467 0.179064 0.436028 O\n0.436027 0.578468 0.179064 O\n0.937064 0.064575 0.673960 O\n0.673959 0.937064 0.064574 O\n",
"nsites": 19,
"nelements": 2,
"elements": [
"Tb",
"O"
],
"chemical_system": "O-Tb",
"density": 7.81888084310007,
"density_atomic": 0.06858275378397283,
"volume": 277.0375779871372,
"volume_molar": 8.78083837077904,
"formula_full": "Tb7 O12",
"formula_reduced": "Tb7O12",
"formula_anonymous": "A7B12",
"energy_above_hull": 2.403853726315789,
"spacegroup": 148
}
]
}