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=formula_anonymous&page=1282",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=1280",
"results": [
{
"id": "jvasp-49154",
"created_at": "2022-09-04T14:38:31.292972Z",
"updated_at": "2022-09-04T14:38:31.292999Z",
"structure_string": "Ba3 Nb1 Ga3 Si2 O14\n1.0\n4.302892 -7.452827 0.000000\n4.302892 7.452827 -0.000000\n0.000000 -0.000000 5.261464\nBa Nb Ga Si O\n3 1 3 2 14\ndirect\n0.568625 0.568625 0.000000 Ba\n-0.000000 0.431375 0.000000 Ba\n0.431375 -0.000000 0.000000 Ba\n0.000000 0.000000 0.000000 Nb\n0.256300 0.256300 0.500000 Ga\n-0.000000 0.743700 0.500000 Ga\n0.743700 -0.000000 0.500000 Ga\n0.666667 0.333333 0.520678 Si\n0.333333 0.666667 0.479321 Si\n0.474744 0.298964 0.648099 O\n0.666667 0.333333 0.214568 O\n0.333333 0.666667 0.785431 O\n0.175781 0.701036 0.351900 O\n0.525255 0.824219 0.351900 O\n0.298964 0.474744 0.351900 O\n0.111484 0.892686 0.773096 O\n0.892686 0.111484 0.226903 O\n0.888516 0.781202 0.226903 O\n0.701036 0.175781 0.648099 O\n0.781202 0.888516 0.773096 O\n0.107314 0.218798 0.773096 O\n0.218798 0.107314 0.226903 O\n0.824219 0.525255 0.648099 O\n",
"nsites": 23,
"nelements": 5,
"elements": [
"Ba",
"Nb",
"Ga",
"Si",
"O"
],
"chemical_system": "Ba-Ga-Nb-O-Si",
"density": 4.892299796295231,
"density_atomic": 0.06815688778568538,
"volume": 337.45672297012607,
"volume_molar": 8.835703852758368,
"formula_full": "Ba3 Nb1 Ga3 Si2 O14",
"formula_reduced": "Ba3NbGa3(SiO7)2",
"formula_anonymous": "AB2C3D3E14",
"energy_above_hull": 2.284294368913044,
"spacegroup": 150
},
{
"id": "jvasp-44344",
"created_at": "2022-09-04T14:35:46.478536Z",
"updated_at": "2022-09-04T14:35:46.478566Z",
"structure_string": "Li3 Mn2 Fe1 B3 O9\n1.0\n0.000000 8.173918 -0.004450\n3.093304 0.000000 0.000000\n0.000000 -4.073335 -7.089547\nLi Mn Fe B O\n3 2 1 3 9\ndirect\n0.984887 0.499999 0.700305 Li\n0.300348 0.499999 0.285357 Li\n0.712761 0.499999 0.012547 Li\n0.360530 0.000000 0.990506 Mn\n0.009314 0.000000 0.369555 Mn\n0.632830 0.000000 0.640193 Fe\n0.667455 0.499999 0.336415 B\n0.334903 0.499999 0.665053 B\n0.997741 0.000000 -0.000973 B\n0.530134 0.499999 0.745400 O\n0.916743 0.000000 0.803723 O\n0.576549 0.499999 0.441713 O\n0.193037 0.000000 0.112711 O\n0.862253 0.499999 0.426351 O\n0.562835 0.499999 0.141233 O\n0.253524 0.499999 0.779358 O\n0.883486 0.000000 0.080126 O\n0.220683 0.499999 0.470435 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-Mn-O",
"density": 3.3613571606433026,
"density_atomic": 0.10038418905739437,
"volume": 179.3111063507078,
"volume_molar": 5.999092901529402,
"formula_full": "Li3 Mn2 Fe1 B3 O9",
"formula_reduced": "Li3Mn2Fe(BO3)3",
"formula_anonymous": "AB2C3D3E9",
"energy_above_hull": 3.3121649573754786,
"spacegroup": 6
},
{
"id": "jvasp-48971",
"created_at": "2022-09-04T14:35:41.427923Z",
"updated_at": "2022-09-04T14:35:41.427947Z",
"structure_string": "Li4 Mn1 O2 F3\n1.0\n3.879225 0.003388 0.000560\n1.935556 4.645786 0.032704\n1.938572 0.260521 4.857501\nLi Mn O F\n4 1 2 3\ndirect\n0.190593 0.200438 0.413669 Li\n0.606656 0.601625 0.180368 Li\n0.416931 0.387088 0.774359 Li\n0.801178 0.771246 0.621704 Li\n0.986007 0.030288 0.993008 Mn\n0.496507 0.996758 0.005545 O\n0.901439 0.380261 0.812161 O\n0.687369 0.213912 0.406644 F\n0.074158 0.632258 0.214733 F\n0.301127 0.795068 0.597975 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.2593952428894006,
"density_atomic": 0.11432142105807926,
"volume": 87.4726705410673,
"volume_molar": 5.2677273465141266,
"formula_full": "Li4 Mn1 O2 F3",
"formula_reduced": "Li4MnO2F3",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 1.1049075088879308,
"spacegroup": 8
},
{
"id": "jvasp-99125",
"created_at": "2022-09-04T14:36:06.657104Z",
"updated_at": "2022-09-04T14:36:06.657130Z",
"structure_string": "Mg12 Si4 O16 F8\n1.0\n4.746240 0.000000 0.000000\n-0.000000 8.774269 0.000000\n0.000000 0.000000 10.321135\nMg Si O F\n12 4 16 8\ndirect\n0.990029 0.430238 0.632824 Mg\n0.490029 0.569762 0.867175 Mg\n0.009971 0.569762 0.367175 Mg\n0.494743 0.750000 0.593224 Mg\n0.509971 0.430238 0.132825 Mg\n0.009971 0.930238 0.367175 Mg\n0.490029 0.930238 0.867175 Mg\n0.005257 0.750000 0.093225 Mg\n0.990029 0.069762 0.632824 Mg\n0.509971 0.069762 0.132825 Mg\n0.994743 0.250000 0.906775 Mg\n0.505257 0.250000 0.406775 Mg\n0.920956 0.750000 0.780306 Si\n0.579044 0.750000 0.280306 Si\n0.079044 0.250000 0.219693 Si\n0.420956 0.250000 0.719693 Si\n0.732443 0.602621 0.208498 O\n0.232443 0.397379 0.291501 O\n0.735730 0.250000 0.220971 O\n0.767557 0.602621 0.708497 O\n0.222851 0.250000 0.073601 O\n0.232443 0.102621 0.291501 O\n0.264270 0.750000 0.779029 O\n0.267557 0.397379 0.791502 O\n0.777149 0.750000 0.926399 O\n0.767557 0.897379 0.708497 O\n0.722851 0.750000 0.426399 O\n0.277149 0.250000 0.573601 O\n0.235730 0.750000 0.279029 O\n0.267557 0.102621 0.791502 O\n0.732443 0.897379 0.208498 O\n0.764270 0.250000 0.720971 O\n0.772624 0.084685 0.466803 F\n0.272624 0.915315 0.033197 F\n0.227376 0.584685 0.533197 F\n0.727376 0.084685 0.966802 F\n0.727376 0.415315 0.966802 F\n0.772624 0.415315 0.466803 F\n0.227376 0.915315 0.533197 F\n0.272624 0.584685 0.033197 F\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Mg",
"Si",
"O",
"F"
],
"chemical_system": "F-Mg-O-Si",
"density": 3.1369394134476374,
"density_atomic": 0.09306189522153384,
"volume": 429.8214634978151,
"volume_molar": 6.471113387132611,
"formula_full": "Mg12 Si4 O16 F8",
"formula_reduced": "Mg3Si(O2F)2",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 0.8604490314999996,
"spacegroup": 62
},
{
"id": "jvasp-106042",
"created_at": "2022-09-04T14:36:05.674053Z",
"updated_at": "2022-09-04T14:36:05.674081Z",
"structure_string": "Li1 Bi3 I2 O4\n1.0\n7.232201 0.018566 0.000000\n-5.047930 5.179139 0.000000\n0.000000 0.000000 5.631735\nLi Bi I O\n1 3 2 4\ndirect\n0.296681 0.703320 0.500000 Li\n0.839959 0.160042 0.000000 Bi\n0.169964 0.830037 0.000000 Bi\n0.667474 0.332528 0.500000 Bi\n0.008745 0.991255 0.500000 I\n0.502195 0.497806 0.000000 I\n0.506021 -0.001472 0.751575 O\n0.001473 0.493980 0.248426 O\n0.001473 0.493980 0.751575 O\n0.506021 -0.001472 0.248426 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"Bi",
"I",
"O"
],
"chemical_system": "Bi-I-Li-O",
"density": 7.472888017578366,
"density_atomic": 0.047287292209768364,
"volume": 211.4733056745899,
"volume_molar": 12.735220137548872,
"formula_full": "Li1 Bi3 I2 O4",
"formula_reduced": "LiBi3(IO2)2",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 1.350994945,
"spacegroup": 38
},
{
"id": "jvasp-109730",
"created_at": "2022-09-04T14:38:19.075269Z",
"updated_at": "2022-09-04T14:38:19.075295Z",
"structure_string": "La2 Al3 Ga1 Pd4\n1.0\n4.456220 -0.000000 0.000000\n0.000000 4.456220 0.000000\n0.000000 0.000000 10.018521\nLa Al Ga Pd\n2 3 1 4\ndirect\n0.500000 0.000000 0.249369 La\n-0.000000 0.500000 0.750631 La\n0.000000 0.000000 0.500000 Al\n0.500000 0.000000 0.879955 Al\n-0.000000 0.500000 0.120045 Al\n0.500000 0.500000 0.500000 Ga\n0.500000 0.500000 -0.000000 Pd\n0.000000 0.000000 0.000000 Pd\n0.500000 0.000000 0.630555 Pd\n-0.000000 0.500000 0.369445 Pd\n",
"nsites": 10,
"nelements": 4,
"elements": [
"La",
"Al",
"Ga",
"Pd"
],
"chemical_system": "Al-Ga-La-Pd",
"density": 7.129363085404706,
"density_atomic": 0.050264705250280324,
"volume": 198.94675498856586,
"volume_molar": 11.980853622863759,
"formula_full": "La2 Al3 Ga1 Pd4",
"formula_reduced": "La2Al3GaPd4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 1.7130053525000002,
"spacegroup": 115
},
{
"id": "jvasp-109397",
"created_at": "2022-09-04T14:38:19.032049Z",
"updated_at": "2022-09-04T14:38:19.032058Z",
"structure_string": "La2 Ni4 Ge3 P1\n1.0\n4.154125 -0.000000 0.000000\n0.000000 4.154125 0.000000\n-0.000000 -0.000000 9.861351\nLa Ni Ge P\n2 4 3 1\ndirect\n0.000000 0.000000 0.005462 La\n0.499999 0.499999 0.496730 La\n-0.000000 0.499999 0.241821 Ni\n0.499999 0.000000 0.753220 Ni\n0.499999 0.000000 0.241821 Ni\n-0.000000 0.499999 0.753220 Ni\n0.000000 0.000000 0.634728 Ge\n0.000000 0.000000 0.365632 Ge\n0.499999 0.499999 0.869301 Ge\n0.499999 0.499999 0.138062 P\n",
"nsites": 10,
"nelements": 4,
"elements": [
"La",
"Ni",
"Ge",
"P"
],
"chemical_system": "Ge-La-Ni-P",
"density": 7.430381150666087,
"density_atomic": 0.058763067953084606,
"volume": 170.1749133994131,
"volume_molar": 10.248172823120758,
"formula_full": "La2 Ni4 Ge3 P1",
"formula_reduced": "La2Ni4Ge3P",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 1.512220295,
"spacegroup": 99
},
{
"id": "jvasp-109372",
"created_at": "2022-09-04T14:38:19.073969Z",
"updated_at": "2022-09-04T14:38:19.073996Z",
"structure_string": "Rb2 Cd3 Sn1 As4\n1.0\n8.795087 -0.033259 3.895709\n7.654001 4.332542 3.895709\n0.022948 0.005998 7.792913\nRb Cd Sn As\n2 3 1 4\ndirect\n0.492961 0.492961 0.515248 Rb\n0.997924 0.997922 -0.005216 Rb\n0.198937 0.198937 0.479775 Cd\n0.320827 0.320826 0.026723 Cd\n0.817947 0.817946 0.498257 Cd\n0.686684 0.686683 0.971078 Sn\n0.367717 0.367716 0.302134 As\n0.845478 0.845477 0.817567 As\n0.636166 0.636166 0.693682 As\n0.136275 0.136275 0.200750 As\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Cd",
"Sn",
"As"
],
"chemical_system": "As-Cd-Rb-Sn",
"density": 5.1541461966253,
"density_atomic": 0.033498992412213505,
"volume": 298.51644123941077,
"volume_molar": 17.97708028318001,
"formula_full": "Rb2 Cd3 Sn1 As4",
"formula_reduced": "Rb2Cd3SnAs4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 0.2194307950000001,
"spacegroup": 8
},
{
"id": "jvasp-22973",
"created_at": "2022-09-04T14:37:32.801063Z",
"updated_at": "2022-09-04T14:37:32.801095Z",
"structure_string": "K8 Li12 Ga4 O16\n1.0\n0.000000 5.540330 0.009321\n8.778813 0.000000 0.000000\n0.000000 -3.978904 -10.209076\nK Li Ga O\n8 12 4 16\ndirect\n0.296982 0.992635 0.138964 K\n0.703019 0.492635 0.361036 K\n0.703020 0.007365 0.861036 K\n0.296982 0.507365 0.638964 K\n0.280301 0.724835 0.392048 K\n0.719699 0.224835 0.107953 K\n0.719700 0.275165 0.607953 K\n0.280302 0.775164 0.892048 K\n0.374048 0.508881 0.070780 Li\n0.374048 0.991118 0.570780 Li\n0.625954 0.491118 0.929220 Li\n0.092939 0.463555 0.203529 Li\n0.907062 0.963555 0.296471 Li\n0.625953 0.008881 0.429220 Li\n0.092939 0.036445 0.703530 Li\n0.381774 0.238463 0.299067 Li\n0.618227 0.738463 0.200933 Li\n0.618227 0.761537 0.700933 Li\n0.381774 0.261537 0.799067 Li\n0.907063 0.536445 0.796471 Li\n0.101255 0.211798 0.436948 Ga\n0.898745 0.711797 0.063053 Ga\n0.101256 0.288202 0.936948 Ga\n0.898746 0.788202 0.563053 Ga\n0.220016 0.106606 0.885555 O\n0.257378 0.049198 0.376478 O\n0.220016 0.393393 0.385555 O\n0.742623 0.549197 0.123523 O\n0.779985 0.893393 0.114445 O\n0.779985 0.606606 0.614445 O\n0.233659 0.310674 0.120578 O\n0.256065 0.677438 0.143087 O\n0.766343 0.689325 0.879423 O\n0.233659 0.189325 0.620578 O\n0.743935 0.177438 0.356913 O\n0.256066 0.822562 0.643087 O\n0.743936 0.322562 0.856914 O\n0.742624 0.950802 0.623523 O\n0.766342 0.810674 0.379422 O\n0.257378 0.450802 0.876478 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"K",
"Li",
"Ga",
"O"
],
"chemical_system": "Ga-K-Li-O",
"density": 3.115354573686441,
"density_atomic": 0.08060964013321711,
"volume": 496.2185655945765,
"volume_molar": 7.470745124339581,
"formula_full": "K8 Li12 Ga4 O16",
"formula_reduced": "K2Li3GaO4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 0.9309672325,
"spacegroup": 14
},
{
"id": "jvasp-103902",
"created_at": "2022-09-04T14:37:03.409377Z",
"updated_at": "2022-09-04T14:37:03.409407Z",
"structure_string": "Zn1 H2 C3 O4\n1.0\n3.954138 0.000150 1.386610\n1.890044 4.363592 0.941447\n0.160119 -0.062938 5.874348\nZn H C O\n1 2 3 4\ndirect\n0.475798 0.072345 0.397024 Zn\n0.759124 0.368361 0.937330 H\n0.595432 0.776372 0.856650 H\n0.453138 0.511552 0.681314 C\n0.531604 0.572364 0.896987 C\n0.176656 0.633153 0.112673 C\n0.323162 0.729255 0.536309 O\n0.507167 0.235073 0.666190 O\n0.119425 0.415420 0.257648 O\n0.939062 0.909632 0.127825 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 2.768017450434616,
"density_atomic": 0.09954574379759672,
"volume": 100.45632910566916,
"volume_molar": 6.049621541072246,
"formula_full": "Zn1 H2 C3 O4",
"formula_reduced": "ZnH2C3O4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 3.6563694399999993,
"spacegroup": 5
},
{
"id": "jvasp-101929",
"created_at": "2022-09-04T14:36:59.692174Z",
"updated_at": "2022-09-04T14:36:59.692190Z",
"structure_string": "Mg2 H4 C6 O8\n1.0\n4.479431 0.005390 -1.469866\n-0.898322 5.739765 -1.211303\n-0.073454 -0.226381 6.948934\nMg H C O\n2 4 6 8\ndirect\n0.539692 0.493803 0.180762 Mg\n0.039691 -0.006199 0.180760 Mg\n0.451501 0.183643 0.673687 H\n0.951501 0.683650 0.673689 H\n0.625599 0.459766 0.701974 H\n0.125606 0.959770 0.701976 H\n0.167782 0.777214 0.685223 C\n0.667781 0.277211 0.685221 C\n0.412525 0.784411 0.890462 C\n0.209176 0.707957 0.473518 C\n0.709176 0.207956 0.473515 C\n0.912523 0.284410 0.890461 C\n0.470815 0.208733 0.314174 O\n0.956364 0.168527 0.452124 O\n0.456367 0.668532 0.452127 O\n0.827787 0.274887 0.047460 O\n0.689960 0.804500 0.908964 O\n0.189963 0.304508 0.908963 O\n0.327788 0.774893 0.047464 O\n0.970817 0.708729 0.314175 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mg",
"H",
"C",
"O"
],
"chemical_system": "C-H-Mg-O",
"density": 2.3767727503300184,
"density_atomic": 0.11328210809927476,
"volume": 176.5503867784046,
"volume_molar": 5.316056402059977,
"formula_full": "Mg2 H4 C6 O8",
"formula_reduced": "MgH2C3O4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 3.714590305,
"spacegroup": 1
},
{
"id": "jvasp-102739",
"created_at": "2022-09-04T14:36:55.043038Z",
"updated_at": "2022-09-04T14:36:55.043068Z",
"structure_string": "K2 Zn3 Ge1 As4\n1.0\n7.670525 0.066020 0.000000\n-5.502328 5.344689 0.000000\n-0.000000 -0.000000 5.821123\nK Zn Ge As\n2 3 1 4\ndirect\n0.500000 -0.000000 0.247947 K\n-0.000000 0.500000 0.752053 K\n0.500000 0.500000 0.500000 Zn\n0.500000 0.500000 -0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Ge\n0.645526 0.866874 0.755739 As\n0.133126 0.354474 0.244260 As\n0.866874 0.645526 0.244260 As\n0.354474 0.133126 0.755739 As\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Zn",
"Ge",
"As"
],
"chemical_system": "As-Ge-K-Zn",
"density": 4.460668700333534,
"density_atomic": 0.04153502096083186,
"volume": 240.76068264008217,
"volume_molar": 14.498947203322633,
"formula_full": "K2 Zn3 Ge1 As4",
"formula_reduced": "K2Zn3GeAs4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 0.3836970150000001,
"spacegroup": 21
}
]
}