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=705",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=703",
"results": [
{
"id": "jvasp-43076",
"created_at": "2022-09-04T14:36:18.967258Z",
"updated_at": "2022-09-04T14:36:18.967283Z",
"structure_string": "Na5 Li3 Ti5 O14\n1.0\n5.213102 -0.002039 0.015519\n-0.895718 6.948682 0.015623\n-1.609261 -0.240980 8.028272\nNa Li Ti O\n5 3 5 14\ndirect\n0.513638 0.998662 0.496640 Na\n0.912548 0.844748 0.346496 Na\n0.647116 0.307179 0.812373 Na\n0.074313 0.135227 0.640885 Na\n0.357631 0.710046 0.210900 Na\n0.174154 0.467468 0.915501 Li\n0.857475 0.709936 0.712554 Li\n0.567934 0.152453 0.140340 Li\n0.126241 0.281501 0.265795 Ti\n0.699296 0.425160 0.427132 Ti\n0.452792 0.857627 0.867363 Ti\n0.013625 0.987173 0.994441 Ti\n0.276059 0.577526 0.584133 Ti\n0.041879 0.535828 0.351622 O\n0.463047 0.402796 0.216145 O\n0.833728 0.177771 0.375658 O\n0.405810 0.310297 0.522848 O\n0.682218 0.882682 0.075260 O\n0.600054 0.673203 0.479338 O\n0.124521 0.748091 0.952312 O\n0.969829 0.448027 0.658210 O\n0.486488 0.592887 0.804700 O\n0.205654 0.827240 0.619798 O\n0.752480 0.979851 0.780204 O\n0.945907 0.269408 0.049607 O\n0.310851 0.100603 0.900835 O\n0.219160 0.024917 0.227823 O\n",
"nsites": 27,
"nelements": 4,
"elements": [
"Na",
"Li",
"Ti",
"O"
],
"chemical_system": "Li-Na-O-Ti",
"density": 3.418652780430722,
"density_atomic": 0.09278365289910608,
"volume": 290.9995366248415,
"volume_molar": 6.4905191505539666,
"formula_full": "Na5 Li3 Ti5 O14",
"formula_reduced": "Na5Li3Ti5O14",
"formula_anonymous": "A3B5C5D14",
"energy_above_hull": 2.338889839506173,
"spacegroup": 1
},
{
"id": "jvasp-43846",
"created_at": "2022-09-04T14:36:20.467385Z",
"updated_at": "2022-09-04T14:36:20.467406Z",
"structure_string": "Mn2 P4 W2 O16\n1.0\n0.000000 4.902325 0.003621\n5.942739 0.000000 0.000000\n0.000000 -0.320557 -9.987684\nMn P W O\n2 4 2 16\ndirect\n0.919146 0.250000 0.277571 Mn\n0.080852 0.750000 0.722429 Mn\n0.388297 0.250000 0.083108 P\n0.856173 0.750000 0.409485 P\n0.143825 0.250000 0.590515 P\n0.611701 0.750000 0.916891 P\n0.421142 0.750000 0.219915 W\n0.578856 0.250000 0.780085 W\n0.747723 0.957161 0.843582 O\n0.747723 0.542839 0.843582 O\n0.302854 0.449739 0.665223 O\n0.302854 0.050261 0.665223 O\n0.843079 0.250000 0.627160 O\n0.826651 0.750000 0.558570 O\n0.173347 0.250000 0.441430 O\n0.252276 0.457161 0.156418 O\n0.697144 0.550261 0.334776 O\n0.697144 0.949739 0.334776 O\n0.305724 0.750000 0.895944 O\n0.252276 0.042839 0.156418 O\n0.694274 0.250000 0.104056 O\n0.694560 0.750000 0.066576 O\n0.156919 0.750000 0.372839 O\n0.305438 0.250000 0.933423 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Mn",
"P",
"W",
"O"
],
"chemical_system": "Mn-O-P-W",
"density": 4.893395996398447,
"density_atomic": 0.08248367224285043,
"volume": 290.9666767665074,
"volume_molar": 7.3010095164888735,
"formula_full": "Mn2 P4 W2 O16",
"formula_reduced": "MnP2WO8",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.633124686781609,
"spacegroup": 11
},
{
"id": "jvasp-57803",
"created_at": "2022-09-04T14:38:04.095563Z",
"updated_at": "2022-09-04T14:38:04.095591Z",
"structure_string": "Pb2 Se4 O12\n1.0\n0.000000 4.865816 -0.161544\n8.849172 0.000000 0.000000\n0.000000 -2.246455 -6.682873\nPb Se O\n2 4 12\ndirect\n0.500001 0.500000 0.499999 Pb\n0.500000 0.000000 -0.000000 Pb\n0.113455 0.655361 0.818510 Se\n0.886546 0.344639 0.181488 Se\n0.113455 0.844638 0.318511 Se\n0.886547 0.155361 0.681488 Se\n0.854526 0.662797 0.587255 O\n0.769977 0.163121 0.210608 O\n0.769978 0.336879 0.710608 O\n0.382069 0.546281 0.773824 O\n0.617933 0.046281 0.726175 O\n0.230024 0.836878 0.789391 O\n0.230024 0.663121 0.289391 O\n0.145476 0.337203 0.412744 O\n0.145476 0.162797 0.912744 O\n0.382069 0.953719 0.273824 O\n0.617932 0.453719 0.226175 O\n0.854525 0.837203 0.087255 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Pb",
"Se",
"O"
],
"chemical_system": "O-Pb-Se",
"density": 5.26317964125966,
"density_atomic": 0.06186300853798904,
"volume": 290.9654804283646,
"volume_molar": 9.734639330225757,
"formula_full": "Pb2 Se4 O12",
"formula_reduced": "Pb(SeO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.2078509503703705,
"spacegroup": 14
},
{
"id": "jvasp-57049",
"created_at": "2022-09-04T14:37:30.347419Z",
"updated_at": "2022-09-04T14:37:30.347439Z",
"structure_string": "K6 Si2 Cu1 O8\n1.0\n6.179716 -0.014796 -0.008104\n2.264142 6.273837 0.018098\n0.291349 0.825614 7.500626\nK Si Cu O\n6 2 1 8\ndirect\n0.657082 0.829925 0.166003 K\n0.798895 0.304652 0.973793 K\n0.275153 0.809114 0.558503 K\n0.724848 0.190886 0.441498 K\n0.201106 0.695347 0.026208 K\n0.342919 0.170074 0.833998 K\n0.780569 0.762331 0.732321 Si\n0.219432 0.237668 0.267680 Si\n-0.000000 0.500000 0.500000 Cu\n0.742983 0.772421 0.510653 O\n0.562093 0.725589 0.843358 O\n0.833324 0.972809 0.785365 O\n0.166677 0.027190 0.214636 O\n0.019653 0.543531 0.754430 O\n0.437907 0.274410 0.156643 O\n0.980348 0.456468 0.245571 O\n0.257018 0.227578 0.489349 O\n",
"nsites": 17,
"nelements": 4,
"elements": [
"K",
"Si",
"Cu",
"O"
],
"chemical_system": "Cu-K-O-Si",
"density": 2.7525310350670162,
"density_atomic": 0.05842691899844852,
"volume": 290.9617739804391,
"volume_molar": 10.307133874644176,
"formula_full": "K6 Si2 Cu1 O8",
"formula_reduced": "K6Cu(SiO4)2",
"formula_anonymous": "AB2C6D8",
"energy_above_hull": 1.3144331558823528,
"spacegroup": 2
},
{
"id": "jvasp-102737",
"created_at": "2022-09-04T14:36:56.848778Z",
"updated_at": "2022-09-04T14:36:56.848788Z",
"structure_string": "K4 Na1 Cl5\n1.0\n4.321598 0.003314 -14.994520\n-0.083017 4.320802 -14.994520\n-0.003248 -0.003314 15.604865\nK Na Cl\n4 1 5\ndirect\n0.402064 0.402064 -0.000001 K\n0.802147 0.802146 -0.000001 K\n0.197853 0.197853 -0.000000 K\n0.597936 0.597935 -0.000001 K\n0.000000 0.000000 0.000000 Na\n0.094027 0.094027 -0.000000 Cl\n0.500000 0.499999 -0.000001 Cl\n0.905973 0.905972 -0.000001 Cl\n0.300285 0.300285 -0.000000 Cl\n0.699715 0.699714 -0.000001 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Na",
"Cl"
],
"chemical_system": "Cl-K-Na",
"density": 2.035418816871845,
"density_atomic": 0.034368844577291266,
"volume": 290.9611924110873,
"volume_molar": 17.522092563970116,
"formula_full": "K4 Na1 Cl5",
"formula_reduced": "K4NaCl5",
"formula_anonymous": "AB4C5",
"energy_above_hull": 0.0010559999999999,
"spacegroup": 139
},
{
"id": "jvasp-46720",
"created_at": "2022-09-04T14:38:07.752567Z",
"updated_at": "2022-09-04T14:38:07.752588Z",
"structure_string": "Li2 Mn4 P4 O16\n1.0\n0.000000 4.801384 0.004335\n10.013088 0.000000 0.000000\n0.000000 -0.066862 -6.051290\nLi Mn P O\n2 4 4 16\ndirect\n0.250083 0.797048 0.749792 Li\n0.749916 0.297048 0.250207 Li\n0.297250 0.516084 0.998241 Mn\n0.202800 0.078212 0.501805 Mn\n0.797199 0.578212 0.498194 Mn\n0.702750 0.016084 0.001758 Mn\n0.165422 0.202025 0.000545 P\n0.665469 0.892289 0.500528 P\n0.834578 0.702025 0.999454 P\n0.334531 0.392289 0.499471 P\n0.983859 0.906305 0.514919 O\n0.965902 0.624176 0.196823 O\n0.015871 0.136967 0.205647 O\n0.484101 0.457362 0.294386 O\n0.534191 0.970164 0.303167 O\n0.574489 0.744385 0.500408 O\n0.016140 0.406304 0.485080 O\n0.034097 0.124176 0.803177 O\n0.465809 0.470164 0.696832 O\n0.515899 0.957362 0.705613 O\n0.984129 0.636967 0.794352 O\n0.483818 0.187960 0.014917 O\n0.516181 0.687960 0.985083 O\n0.074572 0.349949 0.000401 O\n0.425511 0.244385 0.499591 O\n0.925428 0.849949 -0.000402 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.5018654151754887,
"density_atomic": 0.08937071658957772,
"volume": 290.9230337650899,
"volume_molar": 6.738382537152324,
"formula_full": "Li2 Mn4 P4 O16",
"formula_reduced": "LiMn2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 3.0856333448275866,
"spacegroup": 14
},
{
"id": "jvasp-18871",
"created_at": "2022-09-04T14:36:16.580250Z",
"updated_at": "2022-09-04T14:36:16.580266Z",
"structure_string": "Rb2 Hg7\n1.0\n3.585367 -6.210038 0.000000\n3.585367 6.210038 -0.000000\n-0.000000 -0.000000 6.533026\nRb Hg\n2 7\ndirect\n0.333333 0.666667 0.837991 Rb\n0.666667 0.333333 0.162009 Rb\n0.181271 0.362540 0.332115 Hg\n0.637461 0.818730 0.332115 Hg\n0.181271 0.818730 0.332115 Hg\n0.818730 0.637461 0.667886 Hg\n0.818730 0.181271 0.667886 Hg\n0.362540 0.181271 0.667886 Hg\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Rb",
"Hg"
],
"chemical_system": "Hg-Rb",
"density": 8.990326973803336,
"density_atomic": 0.03093643406347053,
"volume": 290.9191143858148,
"volume_molar": 19.466176184510196,
"formula_full": "Rb2 Hg7",
"formula_reduced": "Rb2Hg7",
"formula_anonymous": "A2B7",
"energy_above_hull": 0.0,
"spacegroup": 164
},
{
"id": "jvasp-112409",
"created_at": "2022-09-04T14:38:40.640318Z",
"updated_at": "2022-09-04T14:38:40.640339Z",
"structure_string": "V6 O2 F14\n1.0\n3.932587 0.005730 0.018870\n-1.980115 7.516249 -0.014082\n-0.048713 0.005944 9.838100\nV O F\n6 2 14\ndirect\n0.678870 0.357761 0.926099 V\n0.321100 0.642241 0.426102 V\n0.540547 0.082682 0.249999 V\n0.459452 0.917316 0.750002 V\n0.678893 0.357760 0.573900 V\n0.321146 0.642240 0.073899 V\n0.707132 0.414361 0.749997 O\n0.292875 0.585638 0.250004 O\n0.196776 0.393582 0.534690 F\n0.196784 0.393583 0.965308 F\n0.363819 0.726734 0.882813 F\n0.363814 0.726733 0.617192 F\n0.636174 0.273268 0.382808 F\n0.636199 0.273266 0.117188 F\n0.553438 0.104625 0.612412 F\n0.446529 0.895372 0.112411 F\n0.553465 0.104626 0.887588 F\n0.803232 0.606414 0.034692 F\n0.961764 0.921902 0.750002 F\n0.038237 0.078096 0.249999 F\n0.446565 0.895376 0.387590 F\n0.803216 0.606418 0.465310 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.4454722103562365,
"density_atomic": 0.07562315572838968,
"volume": 290.9161855003227,
"volume_molar": 7.963355538387338,
"formula_full": "V6 O2 F14",
"formula_reduced": "V3OF7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 1.3289452797727273,
"spacegroup": 63
},
{
"id": "jvasp-14243",
"created_at": "2022-09-04T14:38:13.313423Z",
"updated_at": "2022-09-04T14:38:13.313452Z",
"structure_string": "Rb2 Hg7\n1.0\n3.585318 -6.209952 -0.000000\n3.585318 6.209952 0.000000\n0.000000 -0.000000 6.533014\nRb Hg\n2 7\ndirect\n0.333333 0.666667 0.838005 Rb\n0.666667 0.333333 0.161994 Rb\n0.181269 0.362537 0.332114 Hg\n0.637464 0.818732 0.332114 Hg\n0.181269 0.818731 0.332114 Hg\n0.818732 0.637464 0.667885 Hg\n0.818731 0.181269 0.667885 Hg\n0.362537 0.181269 0.667885 Hg\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Rb",
"Hg"
],
"chemical_system": "Hg-Rb",
"density": 8.990590863739165,
"density_atomic": 0.03093734212984271,
"volume": 290.9105753890358,
"volume_molar": 19.465604817392947,
"formula_full": "Rb2 Hg7",
"formula_reduced": "Rb2Hg7",
"formula_anonymous": "A2B7",
"energy_above_hull": 0.0,
"spacegroup": 164
},
{
"id": "jvasp-30683",
"created_at": "2022-09-04T14:38:34.897556Z",
"updated_at": "2022-09-04T14:38:34.897566Z",
"structure_string": "Nb4 W2 O16\n1.0\n5.094901 0.006746 -0.006471\n-0.010177 5.662844 -1.739365\n0.030234 0.010171 10.079430\nNb W O\n4 2 16\ndirect\n0.757893 0.324702 0.276887 Nb\n0.742966 0.048183 0.721496 Nb\n0.242906 0.676322 0.721487 Nb\n0.257835 0.952842 0.276882 Nb\n0.750401 0.670207 0.999180 W\n0.250398 0.330822 0.999196 W\n0.883237 0.590269 0.381882 O\n0.617479 0.208957 0.616418 O\n0.117563 0.410757 0.616489 O\n0.383319 0.792068 0.381960 O\n0.077632 0.923532 0.655061 O\n0.423104 0.266235 0.343189 O\n0.070301 0.665456 0.106197 O\n0.570281 0.442119 0.106191 O\n0.930498 0.335574 0.892179 O\n0.923170 0.077495 0.343317 O\n0.585224 0.916225 0.119634 O\n0.915645 0.796324 0.878758 O\n0.415576 0.084805 0.878742 O\n0.085152 0.204703 0.119616 O\n0.430516 0.558911 0.892186 O\n0.577697 0.734791 0.655188 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Nb",
"W",
"O"
],
"chemical_system": "Nb-O-W",
"density": 5.6814377937599625,
"density_atomic": 0.07562747757979985,
"volume": 290.8995606363608,
"volume_molar": 7.962900459883272,
"formula_full": "Nb4 W2 O16",
"formula_reduced": "Nb2WO8",
"formula_anonymous": "AB2C8",
"energy_above_hull": 3.986758799999999,
"spacegroup": 15
},
{
"id": "jvasp-49192",
"created_at": "2022-09-04T14:37:05.886322Z",
"updated_at": "2022-09-04T14:37:05.886351Z",
"structure_string": "Pr4 Be4 Ge2 O14\n1.0\n7.668790 0.000000 0.000000\n-0.000000 7.668790 -0.000000\n0.000000 0.000000 4.946259\nPr Be Ge O\n4 4 2 14\ndirect\n0.659535 0.840465 0.503911 Pr\n0.159535 0.659535 0.496090 Pr\n0.840465 0.340465 0.496090 Pr\n0.340465 0.159535 0.503911 Pr\n0.366627 0.866627 0.040246 Be\n0.866627 0.633373 0.959755 Be\n0.633373 0.133373 0.040246 Be\n0.133373 0.366627 0.959755 Be\n0.500000 0.500000 0.000000 Ge\n0.000000 0.000000 0.000000 Ge\n0.858161 0.641839 0.280866 O\n0.358161 0.858161 0.719134 O\n0.641839 0.141839 0.719134 O\n0.141839 0.358161 0.280866 O\n0.500000 0.000000 0.168796 O\n0.000000 0.500000 0.831204 O\n0.174125 0.922645 0.204038 O\n0.325875 0.422645 0.795962 O\n0.422645 0.674125 0.204038 O\n0.577355 0.325875 0.204038 O\n0.077355 0.174125 0.795962 O\n0.922645 0.825875 0.795962 O\n0.674125 0.577355 0.795962 O\n0.825875 0.077355 0.204038 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Pr",
"Be",
"Ge",
"O"
],
"chemical_system": "Be-Ge-O-Pr",
"density": 5.531212406170619,
"density_atomic": 0.08250508148316604,
"volume": 290.89117383511524,
"volume_molar": 7.2991149778195545,
"formula_full": "Pr4 Be4 Ge2 O14",
"formula_reduced": "Pr2Be2GeO7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 2.2610735291666666,
"spacegroup": 113
},
{
"id": "jvasp-100876",
"created_at": "2022-09-04T14:36:37.634911Z",
"updated_at": "2022-09-04T14:36:37.634931Z",
"structure_string": "Na2 Hg1 As1 Cl6\n1.0\n6.440868 -0.000000 3.718637\n2.146956 6.072509 3.718637\n-0.000000 -0.000000 7.437274\nNa Hg As Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 As\n0.762196 0.237805 0.237805 Cl\n0.237805 0.237805 0.762195 Cl\n0.237805 0.762196 0.762195 Cl\n0.237805 0.762196 0.237805 Cl\n0.762196 0.237805 0.762195 Cl\n0.762196 0.762196 0.237805 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Hg",
"As",
"Cl"
],
"chemical_system": "As-Cl-Hg-Na",
"density": 3.0495380941698826,
"density_atomic": 0.034377449460941754,
"volume": 290.8883630637459,
"volume_molar": 17.517706678158625,
"formula_full": "Na2 Hg1 As1 Cl6",
"formula_reduced": "Na2HgAsCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}