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=411",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=409",
"results": [
{
"id": "jvasp-98995",
"created_at": "2022-09-04T14:36:05.930399Z",
"updated_at": "2022-09-04T14:36:05.930433Z",
"structure_string": "Ba2 Te2 Mo4 O18\n1.0\n5.541778 0.000000 -0.075016\n0.000000 7.525526 0.000000\n0.018482 0.000000 8.882739\nBa Te Mo O\n2 2 4 18\ndirect\n0.272148 0.747431 0.066626 Ba\n0.727852 0.247431 0.933374 Ba\n0.628462 0.510091 0.420249 Te\n0.371537 0.010090 0.579751 Te\n0.223942 0.272919 0.229590 Mo\n0.776058 0.772919 0.770409 Mo\n0.784625 0.951598 0.325575 Mo\n0.215375 0.451598 0.674425 Mo\n0.980328 0.935554 0.832176 O\n0.019671 0.435554 0.167823 O\n0.489639 0.890061 0.805326 O\n0.510361 0.390061 0.194673 O\n0.444020 0.089835 0.369580 O\n0.286986 0.466440 0.867641 O\n0.541309 0.729000 0.329393 O\n0.705042 0.929816 0.557986 O\n0.294957 0.429816 0.442014 O\n0.220260 0.121643 0.079651 O\n0.779740 0.621643 0.920349 O\n0.963858 0.156956 0.356269 O\n0.036142 0.656957 0.643731 O\n0.019514 0.798700 0.333789 O\n0.980486 0.298700 0.666210 O\n0.713014 0.966441 0.132358 O\n0.458691 0.229000 0.670607 O\n0.555980 0.589835 0.630419 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Ba",
"Te",
"Mo",
"O"
],
"chemical_system": "Ba-Mo-O-Te",
"density": 5.385983960914086,
"density_atomic": 0.07018240234615988,
"volume": 370.46323766120867,
"volume_molar": 8.580699090773583,
"formula_full": "Ba2 Te2 Mo4 O18",
"formula_reduced": "BaTeMo2O9",
"formula_anonymous": "ABC2D9",
"energy_above_hull": 3.077319002820513,
"spacegroup": 4
},
{
"id": "jvasp-35200",
"created_at": "2022-09-04T14:38:14.759817Z",
"updated_at": "2022-09-04T14:38:14.759845Z",
"structure_string": "Na2 Sr2 P6 O18\n1.0\n6.874642 0.000139 0.017779\n0.909408 7.108095 -0.007660\n1.307560 0.666686 7.583093\nNa Sr P O\n2 2 6 18\ndirect\n0.460077 0.371707 0.349058 Na\n0.539923 0.628293 0.650942 Na\n0.011629 0.729791 0.642420 Sr\n0.988371 0.270209 0.357580 Sr\n0.397779 0.881111 0.273610 P\n0.206133 0.662619 0.050791 P\n0.602221 0.118889 0.726390 P\n0.164011 0.209644 0.732633 P\n0.835989 0.790356 0.267366 P\n0.793867 0.337382 0.949208 P\n0.259028 0.652717 0.856093 O\n0.354155 0.733074 0.424453 O\n0.645845 0.266926 0.575547 O\n0.313175 0.831274 0.103309 O\n0.686825 0.168727 0.896691 O\n0.231128 0.489576 0.174653 O\n0.768872 0.510424 0.825347 O\n0.740972 0.347283 0.143907 O\n0.633020 0.854053 0.195171 O\n0.028700 0.255029 0.919119 O\n0.822675 0.616391 0.396633 O\n0.177325 0.383609 0.603366 O\n0.662182 0.914961 0.700874 O\n0.366980 0.145947 0.804828 O\n0.916231 0.946726 0.337913 O\n0.083769 0.053274 0.662087 O\n0.971300 0.744971 0.080881 O\n0.337818 0.085039 0.299126 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Na",
"Sr",
"P",
"O"
],
"chemical_system": "Na-O-P-Sr",
"density": 3.1157119972936287,
"density_atomic": 0.07558739422954412,
"volume": 370.4321373345598,
"volume_molar": 7.967123118058465,
"formula_full": "Na2 Sr2 P6 O18",
"formula_reduced": "NaSr(PO3)3",
"formula_anonymous": "ABC3D9",
"energy_above_hull": 2.409902379285714,
"spacegroup": 2
},
{
"id": "jvasp-20302",
"created_at": "2022-09-04T14:38:29.441036Z",
"updated_at": "2022-09-04T14:38:29.441060Z",
"structure_string": "Pd16 S7\n1.0\n7.387873 0.000000 -2.612007\n-3.693937 6.398085 -2.612007\n-0.000000 -0.000000 7.836023\nPd S\n16 7\ndirect\n0.752359 0.752359 0.337499 Pd\n0.247641 0.585141 -0.000000 Pd\n-0.000000 0.247641 0.585140 Pd\n0.337499 0.752359 0.752358 Pd\n0.752359 0.337500 0.752358 Pd\n0.247641 0.000000 0.585140 Pd\n0.000000 0.000000 0.232233 Pd\n-0.000000 0.232233 -0.000000 Pd\n0.232233 -0.000000 -0.000000 Pd\n0.767766 0.767767 0.767766 Pd\n0.585140 0.247641 -0.000000 Pd\n0.414859 0.414860 0.662500 Pd\n0.662500 0.414860 0.414859 Pd\n-0.000000 0.585141 0.247641 Pd\n0.585140 -0.000000 0.247641 Pd\n0.414859 0.662501 0.414859 Pd\n0.312084 0.312085 0.312084 S\n0.687915 -0.000000 -0.000000 S\n-0.000000 0.687916 -0.000000 S\n0.000000 0.000000 0.687915 S\n-0.000000 0.500000 0.500000 S\n0.500000 -0.000000 0.500000 S\n0.500000 0.500000 -0.000000 S\n",
"nsites": 23,
"nelements": 2,
"elements": [
"Pd",
"S"
],
"chemical_system": "Pd-S",
"density": 8.639828502364846,
"density_atomic": 0.06209586873190436,
"volume": 370.39501128974115,
"volume_molar": 9.69813432516787,
"formula_full": "Pd16 S7",
"formula_reduced": "Pd16S7",
"formula_anonymous": "A7B16",
"energy_above_hull": 2.1966087478260867,
"spacegroup": 217
},
{
"id": "jvasp-59115",
"created_at": "2022-09-04T14:38:08.595345Z",
"updated_at": "2022-09-04T14:38:08.595368Z",
"structure_string": "Li8 H8 S8\n1.0\n7.803498 -0.000000 0.000000\n0.000000 7.803498 0.000000\n0.000000 -0.000000 6.082330\nLi H S\n8 8 8\ndirect\n0.500000 0.000000 0.250000 Li\n0.000000 0.500000 0.750000 Li\n0.500000 0.000000 0.750000 Li\n0.000000 0.500000 0.250000 Li\n0.000000 0.000000 0.250000 Li\n0.000000 0.000000 0.750000 Li\n0.500000 0.500000 0.750000 Li\n0.500000 0.500000 0.250000 Li\n0.191123 0.251401 0.500000 H\n0.808877 0.748599 0.500000 H\n0.748599 0.191123 0.000000 H\n0.251401 0.808877 0.000000 H\n0.751401 0.691123 0.000000 H\n0.691123 0.248599 0.500000 H\n0.308877 0.751401 0.500000 H\n0.248599 0.308877 0.000000 H\n0.517999 0.250265 0.500000 S\n0.250265 0.482001 0.000000 S\n0.749735 0.517999 0.000000 S\n0.482001 0.749735 0.500000 S\n0.982001 0.750265 0.500000 S\n0.017999 0.249735 0.500000 S\n0.750265 0.017999 0.000000 S\n0.249735 0.982001 0.000000 S\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"H",
"S"
],
"chemical_system": "H-Li-S",
"density": 1.4351648031074142,
"density_atomic": 0.06479815130250074,
"volume": 370.3809370727182,
"volume_molar": 9.293692241135881,
"formula_full": "Li8 H8 S8",
"formula_reduced": "LiHS",
"formula_anonymous": "ABC",
"energy_above_hull": 1.2477766666666668,
"spacegroup": 135
},
{
"id": "jvasp-112204",
"created_at": "2022-09-04T14:38:45.579617Z",
"updated_at": "2022-09-04T14:38:45.579641Z",
"structure_string": "Sn2 H24 C12 F4\n1.0\n4.381440 -0.071053 0.047724\n0.538083 4.687511 0.576909\n-0.256730 0.154743 18.015355\nSn H C F\n2 24 12 4\ndirect\n0.145340 0.222708 0.525910 Sn\n0.447711 0.816872 0.042544 Sn\n0.341177 0.554959 0.929164 H\n0.689856 0.710624 0.911483 H\n0.415039 0.167387 0.857492 H\n0.062582 0.076529 0.896410 H\n0.344291 0.869924 0.376175 H\n0.864919 0.865472 0.449995 H\n0.758053 0.228931 0.416432 H\n0.823843 0.225679 0.281512 H\n0.847245 0.851327 0.302023 H\n0.060958 0.089407 0.171635 H\n0.382511 0.132280 0.225667 H\n0.292601 0.246014 0.354791 H\n0.057760 0.678986 0.818965 H\n0.406830 0.765635 0.777729 H\n0.425038 0.152617 0.679657 H\n0.276986 0.423530 0.730833 H\n0.805516 0.489697 0.628804 H\n0.127190 0.565754 0.211352 H\n0.160695 0.633428 0.606881 H\n0.427065 0.604505 0.273030 H\n0.647282 0.443584 0.156349 H\n0.743581 0.790969 0.166862 H\n0.915011 0.930739 0.699955 H\n0.818321 0.178421 0.763152 H\n0.987318 0.033029 0.292306 C\n0.275039 0.988403 0.871527 C\n0.954739 0.068477 0.429893 C\n0.170762 0.053198 0.364041 C\n0.449020 0.754605 0.926622 C\n0.189382 0.002600 0.223684 C\n0.316108 0.694903 0.218734 C\n0.210619 0.269855 0.694637 C\n0.014293 0.059992 0.738843 C\n0.553872 0.665179 0.158302 C\n0.053097 0.436588 0.624053 C\n0.192828 0.859059 0.800978 C\n0.410399 0.247638 0.043945 F\n0.520819 0.967686 0.566607 F\n0.412981 0.502949 0.472906 F\n0.958521 0.844870 0.040048 F\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"F"
],
"chemical_system": "C-F-H-Sn",
"density": 2.1598299472718523,
"density_atomic": 0.11340017872140709,
"volume": 370.3697866577653,
"volume_molar": 5.310521401200554,
"formula_full": "Sn2 H24 C12 F4",
"formula_reduced": "SnH12(C3F)2",
"formula_anonymous": "AB2C6D12",
"energy_above_hull": 4.0369953459523815,
"spacegroup": 1
},
{
"id": "jvasp-35119",
"created_at": "2022-09-04T14:37:39.929923Z",
"updated_at": "2022-09-04T14:37:39.929950Z",
"structure_string": "Ba2 Al2 Si8 N10 O6\n1.0\n-0.000000 0.000000 -5.674543\n0.000000 -6.898558 2.837271\n-9.459789 0.000000 0.000000\nBa Al Si N O\n2 2 8 10 6\ndirect\n0.974355 0.948712 0.486836 Ba\n0.025645 0.051288 0.986837 Ba\n0.471161 0.942323 0.256829 Al\n0.528839 0.057678 0.756829 Al\n0.710904 0.421809 0.545902 Si\n0.289096 0.578192 0.045902 Si\n0.576469 0.655207 0.768228 Si\n0.078738 0.655207 0.768228 Si\n0.921261 0.344793 0.268228 Si\n0.702303 0.404606 0.988663 Si\n0.297697 0.595394 0.488663 Si\n0.423530 0.344793 0.268228 Si\n0.975297 0.447359 0.099674 N\n0.527938 0.552641 0.599674 N\n0.024703 0.552641 0.599674 N\n0.472062 0.447359 0.099674 N\n0.290434 0.580870 0.860432 N\n0.592267 0.184535 0.920647 N\n0.800168 0.600336 0.864692 N\n0.199832 0.399665 0.364692 N\n0.407733 0.815466 0.420647 N\n0.709566 0.419131 0.360432 N\n0.400648 0.801297 0.101010 O\n0.800377 0.106024 0.247692 O\n0.305646 0.106024 0.247692 O\n0.199622 0.893976 0.747692 O\n0.694354 0.893976 0.747692 O\n0.599352 0.198704 0.601010 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Ba",
"Al",
"Si",
"N",
"O"
],
"chemical_system": "Al-Ba-N-O-Si",
"density": 3.5396149035353157,
"density_atomic": 0.07561141584573403,
"volume": 370.3144516844774,
"volume_molar": 7.96459197680765,
"formula_full": "Ba2 Al2 Si8 N10 O6",
"formula_reduced": "BaAlSi4N5O3",
"formula_anonymous": "ABC3D4E5",
"energy_above_hull": 4.009332137142858,
"spacegroup": 36
},
{
"id": "jvasp-9770",
"created_at": "2022-09-04T14:38:13.982476Z",
"updated_at": "2022-09-04T14:38:13.982496Z",
"structure_string": "Na2 Nb2 Cu4 S8\n1.0\n5.299724 -0.000000 -1.598049\n0.000000 7.480745 0.000000\n-0.068124 0.000000 9.361028\nNa Nb Cu S\n2 2 4 8\ndirect\n0.720755 0.750000 0.656860 Na\n0.063896 0.250000 0.343140 Na\n0.882723 0.750000 0.228779 Nb\n0.653944 0.250000 0.771221 Nb\n0.748715 0.000000 -0.000000 Cu\n0.748715 0.500000 -0.000000 Cu\n0.375051 0.750000 0.215593 Cu\n0.159459 0.250000 0.784408 Cu\n0.238224 0.750000 0.430314 S\n0.807910 0.250000 0.569687 S\n0.629046 0.001070 0.217915 S\n0.411132 -0.001070 0.782085 S\n0.001898 0.250000 0.991350 S\n0.010548 0.750000 0.008650 S\n0.411132 0.501070 0.782085 S\n0.629046 0.498930 0.217915 S\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Na",
"Nb",
"Cu",
"S"
],
"chemical_system": "Cu-Na-Nb-S",
"density": 3.3294753205956664,
"density_atomic": 0.04320682881978197,
"volume": 370.3118335005994,
"volume_molar": 13.93793741521433,
"formula_full": "Na2 Nb2 Cu4 S8",
"formula_reduced": "NaNb(CuS2)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.5781586625,
"spacegroup": 40
},
{
"id": "jvasp-51090",
"created_at": "2022-09-04T14:38:35.863228Z",
"updated_at": "2022-09-04T14:38:35.863248Z",
"structure_string": "In12 Ir4\n1.0\n7.107211 0.000000 0.000000\n-0.000000 7.107211 0.000000\n0.000000 0.000000 7.330036\nIn Ir\n12 4\ndirect\n0.150109 0.150109 0.742615 In\n0.650109 0.349891 0.242614 In\n0.650109 0.349891 0.757386 In\n0.000000 0.500000 0.000000 In\n0.349891 0.650109 0.757386 In\n0.349891 0.650109 0.242614 In\n0.500000 0.000000 0.000000 In\n0.849891 0.849891 0.742615 In\n0.849891 0.849891 0.257386 In\n0.000000 0.500000 0.500000 In\n0.150109 0.150109 0.257386 In\n0.500000 0.000000 0.500000 In\n0.341603 0.341603 0.000000 Ir\n0.158397 0.841603 0.500000 Ir\n0.841603 0.158397 0.500000 Ir\n0.658397 0.658397 0.000000 Ir\n",
"nsites": 16,
"nelements": 2,
"elements": [
"In",
"Ir"
],
"chemical_system": "In-Ir",
"density": 9.62748146416221,
"density_atomic": 0.0432131034183041,
"volume": 370.2580637432941,
"volume_molar": 13.935913608669809,
"formula_full": "In12 Ir4",
"formula_reduced": "In3Ir",
"formula_anonymous": "AB3",
"energy_above_hull": 0.7511527524999999,
"spacegroup": 136
},
{
"id": "jvasp-51985",
"created_at": "2022-09-04T14:37:36.782249Z",
"updated_at": "2022-09-04T14:37:36.782275Z",
"structure_string": "Rb6 Ni2 F14\n1.0\n7.932570 -0.000000 0.000000\n0.000000 7.932570 -0.000000\n-0.000000 -0.000000 5.883701\nRb Ni F\n6 2 14\ndirect\n0.187823 0.687823 0.500000 Rb\n0.687823 0.812177 0.500000 Rb\n0.312177 0.187823 0.500000 Rb\n0.812177 0.312177 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Rb\n0.000000 0.500000 0.000000 Ni\n0.500000 0.000000 0.000000 Ni\n0.338863 0.161137 0.000000 F\n0.838863 0.338863 0.000000 F\n0.500000 0.500000 0.500000 F\n0.000000 0.000000 0.500000 F\n0.612899 0.112899 0.219516 F\n0.112899 0.387101 0.219516 F\n0.112899 0.387101 0.780484 F\n0.387101 0.887101 0.219516 F\n0.887101 0.612899 0.780484 F\n0.661137 0.838863 0.000000 F\n0.612899 0.112899 0.780484 F\n0.387101 0.887101 0.780484 F\n0.887101 0.612899 0.219516 F\n0.161137 0.661137 0.000000 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Rb",
"Ni",
"F"
],
"chemical_system": "F-Ni-Rb",
"density": 4.019404194198394,
"density_atomic": 0.059421588843369635,
"volume": 370.23580870565695,
"volume_molar": 10.134600701899545,
"formula_full": "Rb6 Ni2 F14",
"formula_reduced": "Rb3NiF7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 0.0,
"spacegroup": 127
},
{
"id": "jvasp-11422",
"created_at": "2022-09-04T14:37:07.035376Z",
"updated_at": "2022-09-04T14:37:07.035403Z",
"structure_string": "Tl2 Te6 Mo6\n1.0\n4.815154 -8.340091 -0.000000\n4.815153 8.340091 0.000000\n0.000000 -0.000000 4.609511\nTl Te Mo\n2 6 6\ndirect\n0.666667 0.333333 0.250000 Tl\n0.333333 0.666667 0.750000 Tl\n0.632245 0.692630 0.250000 Te\n0.939614 0.632244 0.750000 Te\n0.692630 0.060385 0.750000 Te\n0.307369 0.939614 0.250000 Te\n0.060385 0.367755 0.250000 Te\n0.367755 0.307370 0.750000 Te\n0.856931 0.028081 0.250000 Mo\n0.828849 0.856930 0.750000 Mo\n0.028082 0.171151 0.750000 Mo\n0.971918 0.828849 0.250000 Mo\n0.171151 0.143069 0.250000 Mo\n0.143069 0.971918 0.750000 Mo\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Tl",
"Te",
"Mo"
],
"chemical_system": "Mo-Te-Tl",
"density": 7.849156837973115,
"density_atomic": 0.03781483925757534,
"volume": 370.22503003752473,
"volume_molar": 15.925337455437157,
"formula_full": "Tl2 Te6 Mo6",
"formula_reduced": "Tl(TeMo)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 3.2304276571428567,
"spacegroup": 176
},
{
"id": "jvasp-28991",
"created_at": "2022-09-04T14:37:39.963136Z",
"updated_at": "2022-09-04T14:37:39.963149Z",
"structure_string": "Te2 Mo1 W3 Se2 S4\n1.0\n3.320941 -0.000000 -0.000000\n-1.660471 2.876254 0.000121\n-0.000000 0.001615 38.755253\nTe Mo W Se S\n2 1 3 2 4\ndirect\n0.333269 0.666537 0.708422 Te\n0.333265 0.666531 0.609665 Te\n0.666818 0.333637 0.281782 Mo\n0.333272 0.666545 0.093901 W\n0.333312 0.666625 0.468094 W\n0.666671 0.333342 0.659197 W\n0.666743 0.333486 0.424547 Se\n0.666745 0.333488 0.511429 Se\n0.333297 0.666596 0.321056 S\n0.666648 0.333296 0.054651 S\n0.666648 0.333296 0.133531 S\n0.333303 0.666607 0.242475 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.332778375810166,
"density_atomic": 0.03241621281125585,
"volume": 370.18513143007414,
"volume_molar": 18.57755807275839,
"formula_full": "Te2 Mo1 W3 Se2 S4",
"formula_reduced": "Te2MoW3(SeS2)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 4.222567347222222,
"spacegroup": 156
},
{
"id": "jvasp-21854",
"created_at": "2022-09-04T14:37:36.395768Z",
"updated_at": "2022-09-04T14:37:36.395791Z",
"structure_string": "Sr4 Li4 Ge8\n1.0\n4.450838 -0.000000 0.000000\n-0.000000 7.194147 0.000000\n0.000000 0.000000 11.560444\nSr Li Ge\n4 4 8\ndirect\n0.250000 0.637611 0.355219 Sr\n0.750000 0.362389 0.644781 Sr\n0.250000 0.137611 0.144781 Sr\n0.750000 0.862390 0.855219 Sr\n0.250000 0.625267 0.060800 Li\n0.750000 0.374734 0.939199 Li\n0.250000 0.125266 0.439199 Li\n0.750000 0.874734 0.560800 Li\n0.750000 0.963105 0.340321 Ge\n0.250000 0.036895 0.659678 Ge\n0.750000 0.463105 0.159679 Ge\n0.250000 0.536896 0.840321 Ge\n0.750000 0.810573 0.141664 Ge\n0.250000 0.189427 0.858335 Ge\n0.750000 0.310573 0.358335 Ge\n0.250000 0.689428 0.641664 Ge\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"Li",
"Ge"
],
"chemical_system": "Ge-Li-Sr",
"density": 4.303649616987609,
"density_atomic": 0.04322394216864655,
"volume": 370.16521856273346,
"volume_molar": 13.93241906650591,
"formula_full": "Sr4 Li4 Ge8",
"formula_reduced": "SrLiGe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2823220525,
"spacegroup": 62
}
]
}