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=-spacegroup&page=4115",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4113",
"results": [
{
"id": "jvasp-54971",
"created_at": "2022-09-04T14:38:32.454700Z",
"updated_at": "2022-09-04T14:38:32.454722Z",
"structure_string": "Ag2 Hg7 P8 Br6\n1.0\n8.143216 0.007057 1.193149\n1.062277 8.357875 1.366722\n0.019183 0.004692 8.535223\nAg Hg P Br\n2 7 8 6\ndirect\n0.500000 0.000000 0.500000 Ag\n0.500000 0.500000 -0.000000 Ag\n0.236957 0.733313 0.369286 Hg\n0.129820 0.272267 0.272267 Hg\n0.236957 0.369287 0.733312 Hg\n0.763043 0.266688 0.630713 Hg\n0.000000 0.000000 0.000000 Hg\n0.870181 0.727734 0.727733 Hg\n0.763044 0.630714 0.266687 Hg\n0.931584 0.436738 0.436737 P\n0.425899 0.925101 0.238594 P\n0.574102 0.074900 0.761405 P\n0.255247 0.085853 0.085853 P\n0.068416 0.563263 0.563262 P\n0.744754 0.914148 0.914147 P\n0.574102 0.761406 0.074899 P\n0.425899 0.238595 0.925100 P\n0.849815 0.954504 0.364339 Br\n0.150186 0.635661 0.045497 Br\n0.460310 0.354778 0.354777 Br\n0.539690 0.645223 0.645222 Br\n0.150185 0.045497 0.635660 Br\n0.849815 0.364340 0.954503 Br\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Ag",
"Hg",
"P",
"Br"
],
"chemical_system": "Ag-Br-Hg-P",
"density": 6.712676981972326,
"density_atomic": 0.039613799873007956,
"volume": 580.6057503630632,
"volume_molar": 15.202128498920814,
"formula_full": "Ag2 Hg7 P8 Br6",
"formula_reduced": "Ag2Hg7(P4Br3)2",
"formula_anonymous": "A2B6C7D8",
"energy_above_hull": 0.5999650152173912,
"spacegroup": 12
},
{
"id": "jvasp-57396",
"created_at": "2022-09-04T14:38:32.981740Z",
"updated_at": "2022-09-04T14:38:32.981757Z",
"structure_string": "K2 Nd2 W4 O16\n1.0\n6.827803 0.003190 -3.029683\n-1.807572 6.584193 -3.029683\n0.010821 0.014199 7.539766\nK Nd W O\n2 2 4 16\ndirect\n0.311656 0.311657 0.474276 K\n0.688343 0.688343 0.525725 K\n0.304859 0.695141 0.000000 Nd\n0.695141 0.304859 0.000000 Nd\n0.835357 0.164643 0.500001 W\n0.798675 0.798674 0.054119 W\n0.201325 0.201325 0.945882 W\n0.164643 0.835357 0.500001 W\n0.041549 0.297366 0.068212 O\n0.702634 0.958450 0.931790 O\n0.425551 0.425551 0.107705 O\n0.654429 0.906042 0.262126 O\n0.688782 0.218684 0.645203 O\n0.345571 0.093958 0.737875 O\n0.983853 0.983853 0.658234 O\n0.016147 0.016147 0.341767 O\n0.093958 0.345571 0.737875 O\n0.218684 0.688783 0.645203 O\n0.958450 0.702634 0.931790 O\n0.906042 0.654428 0.262126 O\n0.574449 0.574449 0.892297 O\n0.311217 0.781315 0.354798 O\n0.297366 0.041549 0.068212 O\n0.781315 0.311217 0.354798 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"K",
"Nd",
"W",
"O"
],
"chemical_system": "K-Nd-O-W",
"density": 6.640641224030594,
"density_atomic": 0.07067445653583623,
"volume": 339.58520767443815,
"volume_molar": 8.520958002622079,
"formula_full": "K2 Nd2 W4 O16",
"formula_reduced": "KNd(WO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.4109897916666667,
"spacegroup": 12
},
{
"id": "jvasp-9176",
"created_at": "2022-09-04T14:38:33.000803Z",
"updated_at": "2022-09-04T14:38:33.000834Z",
"structure_string": "Ga4 O6\n1.0\n2.986763 -0.000000 -0.742680\n-0.337531 5.698546 -1.357413\n0.001692 0.008009 6.383927\nGa O\n4 6\ndirect\n0.658830 0.313887 0.317663 Ga\n0.341168 0.686114 0.682338 Ga\n0.090521 0.794816 0.181042 Ga\n0.909478 0.205185 0.818959 Ga\n0.496323 0.255849 0.992649 O\n0.503676 0.744152 0.007352 O\n0.173257 0.562648 0.346514 O\n0.826742 0.437353 0.653486 O\n0.834812 0.890999 0.669626 O\n0.165187 0.109002 0.330375 O\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ga",
"O"
],
"chemical_system": "Ga-O",
"density": 5.727063093445169,
"density_atomic": 0.09199852570003919,
"volume": 108.69739404960639,
"volume_molar": 6.5459100721191605,
"formula_full": "Ga4 O6",
"formula_reduced": "Ga2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.95205503,
"spacegroup": 12
},
{
"id": "jvasp-57448",
"created_at": "2022-09-04T14:38:33.159161Z",
"updated_at": "2022-09-04T14:38:33.159186Z",
"structure_string": "Sc6 O9\n1.0\n3.203974 -0.000000 0.000000\n-1.601987 6.544870 -1.224679\n0.000000 -0.003051 8.033454\nSc O\n6 9\ndirect\n0.968948 0.937900 0.183729 Sc\n0.635531 0.271062 0.486312 Sc\n0.308102 0.616207 0.863085 Sc\n0.031050 0.062100 0.816271 Sc\n0.364467 0.728938 0.513687 Sc\n0.691896 0.383794 0.136914 Sc\n0.173682 0.347363 0.964674 O\n0.826316 0.652637 0.035325 O\n0.208997 0.417996 0.621585 O\n0.873885 0.747774 0.720721 O\n0.499999 0.000000 0.000000 O\n0.791000 0.582004 0.378415 O\n0.467257 0.934518 0.341751 O\n0.126112 0.252226 0.279278 O\n0.532741 0.065482 0.658248 O\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Sc",
"O"
],
"chemical_system": "O-Sc",
"density": 4.0785400549117785,
"density_atomic": 0.08904915539157911,
"volume": 168.44629164689943,
"volume_molar": 6.762715191984271,
"formula_full": "Sc6 O9",
"formula_reduced": "Sc2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.8980122,
"spacegroup": 12
},
{
"id": "jvasp-45136",
"created_at": "2022-09-04T14:38:33.169919Z",
"updated_at": "2022-09-04T14:38:33.169937Z",
"structure_string": "Mn4 Cu1 O8\n1.0\n-0.028539 2.962053 -5.329066\n1.603480 -2.490668 -5.329066\n-4.916553 1.499053 -2.687317\nMn Cu O\n4 1 8\ndirect\n-0.000000 0.500001 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n-0.000000 0.500000 0.000000 Mn\n0.500000 0.500001 0.000000 Cu\n0.460626 0.240182 0.779554 O\n0.980537 0.282170 0.797433 O\n0.484737 0.777970 0.797432 O\n0.977933 0.725297 0.747361 O\n0.022066 0.274706 0.252640 O\n0.515263 0.222032 0.202568 O\n0.019462 0.717832 0.202568 O\n0.539373 0.759821 0.220447 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mn",
"Cu",
"O"
],
"chemical_system": "Cu-Mn-O",
"density": 4.796131065586262,
"density_atomic": 0.09129218006731783,
"volume": 142.39992943989228,
"volume_molar": 6.5965570715469175,
"formula_full": "Mn4 Cu1 O8",
"formula_reduced": "Mn4CuO8",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.2692921088859417,
"spacegroup": 12
},
{
"id": "jvasp-56659",
"created_at": "2022-09-04T14:38:33.519649Z",
"updated_at": "2022-09-04T14:38:33.519676Z",
"structure_string": "Sr2 Cr2 F8\n1.0\n-5.773121 0.001953 -0.002259\n-0.002715 -5.895123 0.555909\n2.885927 2.335634 5.140331\nSr Cr F\n2 2 8\ndirect\n-0.000001 0.500000 0.500000 Sr\n0.500000 0.000001 0.500000 Sr\n0.750174 0.750013 0.000010 Cr\n0.249825 0.249987 -0.000010 Cr\n0.597546 0.197214 0.235095 F\n0.137223 0.197012 0.235021 F\n0.862775 0.802989 0.764979 F\n0.362418 0.302759 0.764906 F\n0.902153 0.303023 0.764987 F\n0.097846 0.696977 0.235013 F\n0.637581 0.697242 0.235094 F\n0.402452 0.802787 0.764905 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sr",
"Cr",
"F"
],
"chemical_system": "Cr-F-Sr",
"density": 3.92568972160872,
"density_atomic": 0.06578847247121633,
"volume": 182.40277588524677,
"volume_molar": 9.153793261630748,
"formula_full": "Sr2 Cr2 F8",
"formula_reduced": "SrCrF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.1323941400000006,
"spacegroup": 12
},
{
"id": "jvasp-56727",
"created_at": "2022-09-04T14:38:33.261243Z",
"updated_at": "2022-09-04T14:38:33.261265Z",
"structure_string": "Ba1 Mo1 P2 O8\n1.0\n4.924524 -0.032399 0.332320\n2.080247 4.463693 0.332320\n0.010071 0.006370 7.829290\nBa Mo P O\n1 1 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n-0.000000 -0.000000 0.500000 Mo\n0.369818 0.369818 0.290115 P\n0.630182 0.630181 0.709886 P\n0.762304 0.285582 0.687424 O\n0.686189 0.686189 0.890076 O\n0.237696 0.714417 0.312576 O\n0.235386 0.235386 0.438280 O\n0.764614 0.764613 0.561720 O\n0.714418 0.237695 0.312576 O\n0.313811 0.313810 0.109925 O\n0.285582 0.762304 0.687424 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Ba",
"Mo",
"P",
"O"
],
"chemical_system": "Ba-Mo-O-P",
"density": 4.071432403284249,
"density_atomic": 0.0695222372609075,
"volume": 172.6066431804493,
"volume_molar": 8.662179177864665,
"formula_full": "Ba1 Mo1 P2 O8",
"formula_reduced": "BaMo(PO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.9423375725,
"spacegroup": 12
},
{
"id": "jvasp-119437",
"created_at": "2022-09-04T14:38:33.391387Z",
"updated_at": "2022-09-04T14:38:33.391417Z",
"structure_string": "Zr14 As8\n1.0\n8.092727 -0.006291 2.096719\n7.244711 3.606445 2.096719\n-0.030336 -0.007121 15.132095\nZr As\n14 8\ndirect\n0.000000 0.000000 0.000000 Zr\n0.820242 0.820241 0.544426 Zr\n0.179758 0.179758 0.455574 Zr\n0.997939 0.997938 0.663195 Zr\n0.662010 0.662008 0.033365 Zr\n0.337991 0.337991 0.966636 Zr\n0.793618 0.793617 0.796527 Zr\n0.002061 0.002061 0.336806 Zr\n0.805059 0.805057 0.307216 Zr\n0.194941 0.194942 0.692784 Zr\n0.569811 0.569810 0.833467 Zr\n0.430190 0.430189 0.166534 Zr\n0.500000 0.500000 0.500000 Zr\n0.206383 0.206382 0.203473 Zr\n0.062059 0.062059 0.150417 As\n0.177950 0.177950 0.892122 As\n0.822051 0.822049 0.107879 As\n0.371645 0.371644 0.400940 As\n0.628356 0.628355 0.599061 As\n0.370046 0.370046 0.660626 As\n0.629955 0.629954 0.339375 As\n0.937942 0.937941 0.849584 As\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Zr",
"As"
],
"chemical_system": "As-Zr",
"density": 7.040618277538136,
"density_atomic": 0.04970885694898672,
"volume": 442.5770647387307,
"volume_molar": 12.114824459110311,
"formula_full": "Zr14 As8",
"formula_reduced": "Zr7As4",
"formula_anonymous": "A4B7",
"energy_above_hull": 4.249128954545455,
"spacegroup": 12
},
{
"id": "jvasp-116754",
"created_at": "2022-09-04T14:38:33.319974Z",
"updated_at": "2022-09-04T14:38:33.320000Z",
"structure_string": "Li4 V6 O12\n1.0\n4.946865 -0.005135 0.669460\n-0.786809 6.492611 -0.799222\n0.010054 -0.080643 6.588251\nLi V O\n4 6 12\ndirect\n-0.000002 0.669886 0.669888 Li\n0.500001 0.169887 0.169885 Li\n0.000001 0.330096 0.330096 Li\n0.500000 0.830098 0.830097 Li\n0.250007 0.750004 0.250006 V\n0.250002 0.092857 0.592856 V\n0.749999 0.907146 0.407146 V\n0.749992 0.250010 0.750007 V\n0.749998 0.592859 0.092861 V\n0.250002 0.407144 0.907142 V\n0.127322 0.031549 0.313417 O\n0.627321 0.531555 0.813417 O\n0.872678 0.968463 0.686581 O\n0.372679 0.468457 0.186580 O\n0.372679 0.813415 0.531552 O\n0.384853 0.132891 0.867110 O\n0.115140 0.367106 0.632894 O\n0.615147 0.867111 0.132894 O\n0.884859 0.632898 0.367108 O\n0.127321 0.686577 0.968460 O\n0.872679 0.313420 0.031550 O\n0.627321 0.186584 0.468459 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Li",
"V",
"O"
],
"chemical_system": "Li-O-V",
"density": 4.129870173509722,
"density_atomic": 0.1041394117285935,
"volume": 211.255274394444,
"volume_molar": 5.782768175889843,
"formula_full": "Li4 V6 O12",
"formula_reduced": "Li2V3O6",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 2.9566039636363635,
"spacegroup": 12
},
{
"id": "jvasp-52110",
"created_at": "2022-09-04T14:38:33.550920Z",
"updated_at": "2022-09-04T14:38:33.550938Z",
"structure_string": "Ga3 Pd7\n1.0\n3.935870 0.000000 -1.174022\n-0.412065 5.339164 -1.381433\n-0.006084 0.002200 7.164060\nGa Pd\n3 7\ndirect\n0.000000 0.000000 0.000000 Ga\n0.808916 0.335654 0.617830 Ga\n0.191086 0.664345 0.382171 Ga\n0.000001 0.500000 0.000000 Pd\n0.794336 0.862523 0.588669 Pd\n0.205666 0.137476 0.411332 Pd\n0.626478 0.387521 0.252955 Pd\n0.373524 0.612478 0.747046 Pd\n0.581266 0.856182 0.162530 Pd\n0.418736 0.143817 0.837471 Pd\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ga",
"Pd"
],
"chemical_system": "Ga-Pd",
"density": 10.525586690055306,
"density_atomic": 0.0664353492640784,
"volume": 150.52227632988453,
"volume_molar": 9.064663355741809,
"formula_full": "Ga3 Pd7",
"formula_reduced": "Ga3Pd7",
"formula_anonymous": "A3B7",
"energy_above_hull": 1.1825466875,
"spacegroup": 12
},
{
"id": "jvasp-56706",
"created_at": "2022-09-04T14:38:33.629077Z",
"updated_at": "2022-09-04T14:38:33.629098Z",
"structure_string": "Tb2 Mo2 Cl2 O8\n1.0\n6.114687 0.002204 1.510404\n1.780334 5.849772 1.510404\n0.012631 0.009363 6.866626\nTb Mo Cl O\n2 2 2 8\ndirect\n0.221773 0.221772 0.890793 Tb\n0.778227 0.778227 0.109208 Tb\n0.362515 0.362514 0.269681 Mo\n0.637485 0.637484 0.730318 Mo\n0.009247 0.009247 0.238323 Cl\n0.990753 0.990752 0.761676 Cl\n0.294499 0.294498 0.535222 O\n0.509995 0.888366 0.846687 O\n0.705501 0.705500 0.464778 O\n0.458477 0.458477 0.797477 O\n0.111633 0.490004 0.153312 O\n0.888367 0.509994 0.846687 O\n0.490005 0.111633 0.153312 O\n0.541523 0.541522 0.202523 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Tb",
"Mo",
"Cl",
"O"
],
"chemical_system": "Cl-Mo-O-Tb",
"density": 4.794757615444146,
"density_atomic": 0.05704596052248157,
"volume": 245.41614992147709,
"volume_molar": 10.556647140031414,
"formula_full": "Tb2 Mo2 Cl2 O8",
"formula_reduced": "TbMoClO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.4124674810714293,
"spacegroup": 12
},
{
"id": "jvasp-30684",
"created_at": "2022-09-04T14:38:33.794147Z",
"updated_at": "2022-09-04T14:38:33.794162Z",
"structure_string": "Zn4 Sn4 O8\n1.0\n3.298016 0.308925 0.722328\n2.522980 10.089156 0.078719\n0.026189 -0.647149 8.113242\nZn Sn O\n4 4 8\ndirect\n0.110212 0.057426 0.154738 Zn\n0.885784 0.922484 0.873514 Zn\n0.906225 0.760323 0.156806 Zn\n0.089840 0.219564 0.871381 Zn\n0.793322 0.193950 0.515709 Sn\n0.229294 0.402558 0.226476 Sn\n0.766759 0.577358 0.801687 Sn\n0.202707 0.786006 0.512477 Sn\n0.799882 0.660127 0.569914 O\n0.585329 0.272940 0.773649 O\n0.410720 0.706959 0.254549 O\n0.196132 0.319842 0.458290 O\n0.294443 0.015749 0.869674 O\n0.915686 0.262515 0.133771 O\n0.701587 0.964146 0.158556 O\n0.080362 0.717394 0.894426 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Zn",
"Sn",
"O"
],
"chemical_system": "O-Sn-Zn",
"density": 5.469850098294003,
"density_atomic": 0.06096713410817574,
"volume": 262.43647883482174,
"volume_molar": 9.877683850637858,
"formula_full": "Zn4 Sn4 O8",
"formula_reduced": "ZnSnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5690072749999999,
"spacegroup": 12
}
]
}