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=501",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=499",
"results": [
{
"id": "jvasp-12832",
"created_at": "2022-09-04T14:37:10.760561Z",
"updated_at": "2022-09-04T14:37:10.760593Z",
"structure_string": "K6 B6 O12\n1.0\n7.271545 -0.058639 -2.767294\n-3.996481 6.075109 -2.767294\n-0.031921 -0.058639 7.780248\nK B O\n6 6 12\ndirect\n0.810728 0.250000 0.689272 K\n0.250000 0.689272 0.810729 K\n0.189272 0.750000 0.310729 K\n0.310728 0.189272 0.750000 K\n0.750000 0.310728 0.189272 K\n0.689272 0.810728 0.250001 K\n0.250000 0.363425 0.136576 B\n0.750000 0.636575 0.863426 B\n0.636575 0.863425 0.750001 B\n0.863424 0.750000 0.636576 B\n0.136575 0.250000 0.363425 B\n0.363425 0.136575 0.250000 B\n0.141792 0.358208 0.250000 O\n0.750000 0.533611 0.966390 O\n0.533611 0.966390 0.750001 O\n0.966389 0.750000 0.533611 O\n0.250000 0.466389 0.033611 O\n0.466389 0.033611 0.250000 O\n0.033611 0.250000 0.466390 O\n0.641791 0.750000 0.858209 O\n0.250000 0.141792 0.358209 O\n0.750000 0.858208 0.641793 O\n0.358208 0.250000 0.141792 O\n0.858208 0.641792 0.750001 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"K",
"B",
"O"
],
"chemical_system": "B-K-O",
"density": 2.4037241138751693,
"density_atomic": 0.07069173850676544,
"volume": 339.5021894631028,
"volume_molar": 8.51887488864581,
"formula_full": "K6 B6 O12",
"formula_reduced": "KBO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4706593958333332,
"spacegroup": 167
},
{
"id": "jvasp-19081",
"created_at": "2022-09-04T14:36:54.696615Z",
"updated_at": "2022-09-04T14:36:54.696628Z",
"structure_string": "K6 B6 O12\n1.0\n7.271538 -0.058638 -2.767291\n-3.996477 6.075104 -2.767291\n-0.031920 -0.058638 7.780241\nK B O\n6 6 12\ndirect\n0.810728 0.249999 0.689271 K\n0.249999 0.689271 0.810728 K\n0.189271 0.749999 0.310728 K\n0.310728 0.189271 0.750000 K\n0.750000 0.310728 0.189271 K\n0.689271 0.810728 0.250000 K\n0.250000 0.363425 0.136575 B\n0.749999 0.636574 0.863424 B\n0.636574 0.863424 0.749999 B\n0.863424 0.749999 0.636575 B\n0.136575 0.250000 0.363425 B\n0.363425 0.136575 0.250000 B\n0.141791 0.358208 0.250000 O\n0.749999 0.533610 0.966389 O\n0.533610 0.966389 0.749999 O\n0.966389 0.749999 0.533610 O\n0.250000 0.466389 0.033610 O\n0.466390 0.033610 0.250000 O\n0.033610 0.250000 0.466389 O\n0.641791 0.749999 0.858208 O\n0.250000 0.141791 0.358208 O\n0.749999 0.858208 0.641791 O\n0.358208 0.250000 0.141791 O\n0.858208 0.641791 0.750000 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"K",
"B",
"O"
],
"chemical_system": "B-K-O",
"density": 2.403730028365432,
"density_atomic": 0.07069191244752539,
"volume": 339.5013541020722,
"volume_molar": 8.518853927555341,
"formula_full": "K6 B6 O12",
"formula_reduced": "KBO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.470656895833333,
"spacegroup": 167
},
{
"id": "jvasp-102420",
"created_at": "2022-09-04T14:36:42.415627Z",
"updated_at": "2022-09-04T14:36:42.415650Z",
"structure_string": "Rb2 Tl2 Cl6\n1.0\n6.781208 -0.000000 3.915132\n2.260403 6.393384 3.915132\n-0.000000 -0.000000 7.830264\nRb Tl Cl\n2 2 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n0.762982 0.237018 0.237018 Cl\n0.237018 0.237018 0.762981 Cl\n0.237018 0.762982 0.762982 Cl\n0.237018 0.762982 0.237018 Cl\n0.762982 0.237018 0.762981 Cl\n0.762982 0.762982 0.237018 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Tl",
"Cl"
],
"chemical_system": "Cl-Rb-Tl",
"density": 3.876058963921399,
"density_atomic": 0.029456811780998238,
"volume": 339.4800521640539,
"volume_molar": 20.443966593440752,
"formula_full": "Rb2 Tl2 Cl6",
"formula_reduced": "RbTlCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-32740",
"created_at": "2022-09-04T14:36:48.152841Z",
"updated_at": "2022-09-04T14:36:48.152865Z",
"structure_string": "B4 H32 C4 N4\n1.0\n4.900170 0.000000 0.000000\n-0.000000 6.449533 0.000000\n0.000000 0.000000 10.741604\nB H C N\n4 32 4 4\ndirect\n0.816784 0.250000 0.470598 B\n0.683216 0.250000 0.970597 B\n0.183216 0.750000 0.529402 B\n0.316784 0.750000 0.029402 B\n0.120859 0.250000 0.762345 H\n0.316039 0.750000 0.915446 H\n0.226059 0.121982 0.461202 H\n0.794120 0.404723 0.927823 H\n0.294120 0.904723 0.572176 H\n0.205880 0.904723 0.072177 H\n0.816039 0.250000 0.584554 H\n0.205880 0.595277 0.072177 H\n0.705880 0.095277 0.427823 H\n0.794120 0.095277 0.927823 H\n0.437392 0.111718 0.748585 H\n0.937392 0.888282 0.751414 H\n0.726059 0.621982 0.038798 H\n0.726059 0.878017 0.038798 H\n0.273941 0.121982 0.961201 H\n0.273941 0.378017 0.961201 H\n0.773941 0.621982 0.538798 H\n0.062608 0.388282 0.248586 H\n0.294120 0.595277 0.572176 H\n0.379141 0.250000 0.262345 H\n0.226059 0.378017 0.461202 H\n0.562608 0.611717 0.251414 H\n0.937392 0.611717 0.751414 H\n0.183961 0.750000 0.415446 H\n0.620859 0.750000 0.737654 H\n0.562608 0.888282 0.251414 H\n0.879141 0.750000 0.237655 H\n0.773941 0.878017 0.538798 H\n0.437392 0.388282 0.748585 H\n0.705880 0.404723 0.427823 H\n0.683961 0.250000 0.084554 H\n0.062608 0.111718 0.248586 H\n0.838356 0.750000 0.712818 C\n0.661644 0.750000 0.212818 C\n0.338356 0.250000 0.787182 C\n0.161644 0.250000 0.287182 C\n0.627127 0.750000 0.075438 N\n0.127127 0.250000 0.424562 N\n0.872873 0.750000 0.575438 N\n0.372873 0.250000 0.924562 N\n",
"nsites": 44,
"nelements": 4,
"elements": [
"B",
"H",
"C",
"N"
],
"chemical_system": "B-C-H-N",
"density": 0.8783522438971822,
"density_atomic": 0.12961167480879646,
"volume": 339.4755917235769,
"volume_molar": 4.6462949953265245,
"formula_full": "B4 H32 C4 N4",
"formula_reduced": "BH8CN",
"formula_anonymous": "ABCD8",
"energy_above_hull": 3.967564166666667,
"spacegroup": 62
},
{
"id": "jvasp-113256",
"created_at": "2022-09-04T14:38:49.049209Z",
"updated_at": "2022-09-04T14:38:49.049223Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n4.988858 -0.000203 0.000054\n0.000490 11.390505 -0.003978\n-0.000064 0.002208 5.973821\nLi Mn P O\n4 4 4 16\ndirect\n0.992073 0.065314 0.220390 Li\n0.492177 0.434674 0.720459 Li\n0.992178 0.565321 0.279598 Li\n0.492071 0.934681 0.779549 Li\n0.987109 0.328996 0.965980 Mn\n0.487112 0.671002 0.034062 Mn\n0.487013 0.170999 0.465902 Mn\n0.987011 0.829000 0.534054 Mn\n0.497727 0.914969 0.263172 P\n0.997822 0.585026 0.763219 P\n0.497819 0.414976 0.236833 P\n0.997727 0.085033 0.736771 P\n0.390996 0.354540 0.019505 O\n0.890908 0.145460 0.519430 O\n0.411762 0.844282 0.051922 O\n0.911832 0.655711 0.551967 O\n0.411831 0.344292 0.448087 O\n0.911761 0.155721 0.948020 O\n0.807810 0.918531 0.277714 O\n0.883374 0.458748 0.741341 O\n0.807904 0.418534 0.222299 O\n0.307809 0.081467 0.722235 O\n0.883273 0.958755 0.758675 O\n0.383377 0.541256 0.258711 O\n0.891006 0.645459 0.980554 O\n0.383280 0.041248 0.241270 O\n0.307906 0.581463 0.777748 O\n0.390901 0.854540 0.480509 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.069010363811319,
"density_atomic": 0.08248246807424792,
"volume": 339.466078716211,
"volume_molar": 7.301116104550937,
"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.548150963054187,
"spacegroup": 33
},
{
"id": "jvasp-59215",
"created_at": "2022-09-04T14:38:14.354445Z",
"updated_at": "2022-09-04T14:38:14.354465Z",
"structure_string": "Hg4 Mo4 O14\n1.0\n0.000000 6.092264 -0.043239\n3.965494 0.000000 0.000000\n0.000000 -3.786302 -14.024186\nHg Mo O\n4 4 14\ndirect\n0.352933 0.661423 0.935802 Hg\n0.647067 0.661423 0.564198 Hg\n0.647067 0.338576 0.064198 Hg\n0.352933 0.338576 0.435802 Hg\n0.189438 0.034283 0.684575 Mo\n0.810562 0.034283 0.815426 Mo\n0.810562 0.965716 0.315426 Mo\n0.189438 0.965716 0.184575 Mo\n0.795632 0.024531 0.431194 O\n0.865459 0.972261 0.668675 O\n0.865459 0.027738 0.168675 O\n0.134541 0.027738 0.331325 O\n0.795632 0.975468 0.931194 O\n0.204368 0.975468 0.568807 O\n0.189936 0.475809 0.696418 O\n0.810064 0.524190 0.303583 O\n0.810064 0.475809 0.803583 O\n0.204368 0.024531 0.068807 O\n0.500000 0.036581 0.250000 O\n0.500000 0.963418 0.750000 O\n0.189936 0.524190 0.196418 O\n0.134541 0.972261 0.831326 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Hg",
"Mo",
"O"
],
"chemical_system": "Hg-Mo-O",
"density": 6.897909961142391,
"density_atomic": 0.06480934306926787,
"volume": 339.45722882095134,
"volume_molar": 9.292087336178627,
"formula_full": "Hg4 Mo4 O14",
"formula_reduced": "Hg2Mo2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.656883227272727,
"spacegroup": 13
},
{
"id": "jvasp-14152",
"created_at": "2022-09-04T14:37:58.224497Z",
"updated_at": "2022-09-04T14:37:58.224517Z",
"structure_string": "Hg4 Mo4 O14\n1.0\n0.000000 6.092383 -0.043537\n3.965615 0.000000 0.000000\n0.000000 -3.785684 -14.023182\nHg Mo O\n4 4 14\ndirect\n0.352919 0.661403 0.935800 Hg\n0.647081 0.661403 0.564200 Hg\n0.647081 0.338598 0.064200 Hg\n0.352919 0.338598 0.435800 Hg\n0.189446 0.034220 0.684573 Mo\n0.810554 0.034220 0.815427 Mo\n0.810554 0.965781 0.315427 Mo\n0.189446 0.965781 0.184573 Mo\n0.795620 0.024599 0.431202 O\n0.865469 0.972218 0.668674 O\n0.865469 0.027783 0.168674 O\n0.134531 0.027783 0.331326 O\n0.795620 0.975402 0.931202 O\n0.204380 0.975402 0.568798 O\n0.189958 0.475737 0.696403 O\n0.810042 0.524264 0.303597 O\n0.810042 0.475737 0.803597 O\n0.204380 0.024599 0.068799 O\n0.500000 0.036644 0.250000 O\n0.500000 0.963357 0.750000 O\n0.189958 0.524264 0.196403 O\n0.134531 0.972218 0.831326 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Hg",
"Mo",
"O"
],
"chemical_system": "Hg-Mo-O",
"density": 6.897969151896292,
"density_atomic": 0.06480989919625382,
"volume": 339.45431597387295,
"volume_molar": 9.29200760174627,
"formula_full": "Hg4 Mo4 O14",
"formula_reduced": "Hg2Mo2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.656883227272727,
"spacegroup": 13
},
{
"id": "jvasp-28826",
"created_at": "2022-09-04T14:38:35.409786Z",
"updated_at": "2022-09-04T14:38:35.409809Z",
"structure_string": "Te4 Mo2 W2 S4\n1.0\n3.373553 -0.000000 -0.000003\n-1.686776 2.921531 -0.000023\n-0.000044 -0.000271 34.439131\nTe Mo W S\n4 2 2 4\ndirect\n0.333377 0.666747 0.713081 Te\n0.666622 0.333253 0.038378 Te\n0.666685 0.333363 0.148696 Te\n0.333313 0.666637 0.602763 Te\n0.333322 0.666643 0.464169 Mo\n0.666676 0.333357 0.287289 Mo\n0.333316 0.666635 0.093455 W\n0.666683 0.333365 0.658003 W\n0.333321 0.666650 0.331138 S\n0.666678 0.333350 0.420320 S\n0.666635 0.333274 0.508036 S\n0.333363 0.666726 0.243422 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"S"
],
"chemical_system": "Mo-S-Te-W",
"density": 5.861859987896665,
"density_atomic": 0.035353386831858784,
"volume": 339.4299973881476,
"volume_molar": 17.03412685364881,
"formula_full": "Te4 Mo2 W2 S4",
"formula_reduced": "Te2MoWS2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.553056905555556,
"spacegroup": 164
},
{
"id": "jvasp-119638",
"created_at": "2022-09-04T14:38:36.507840Z",
"updated_at": "2022-09-04T14:38:36.507869Z",
"structure_string": "Li2 Gd2 S4 O16\n1.0\n7.554616 -0.000000 0.000000\n0.000000 7.554616 0.000000\n-0.000000 -0.000000 5.947031\nLi Gd S O\n2 2 4 16\ndirect\n-0.000000 0.500000 0.750000 Li\n0.500000 0.000000 0.250000 Li\n-0.000000 0.500000 0.250000 Gd\n0.500000 0.000000 0.750000 Gd\n0.222458 0.277542 0.750000 S\n0.777543 0.722458 0.750000 S\n0.722458 0.222458 0.250000 S\n0.277542 0.777543 0.250000 S\n0.903166 0.206309 0.156487 O\n0.096835 0.793691 0.156487 O\n0.293691 0.596835 0.343513 O\n0.706310 0.403166 0.343513 O\n0.793691 0.903166 0.843513 O\n0.206309 0.096835 0.843513 O\n0.913614 0.684419 0.570046 O\n0.315581 0.913614 0.429954 O\n0.413614 0.815582 0.070046 O\n0.586386 0.184419 0.070046 O\n0.596835 0.706310 0.656487 O\n0.684419 0.086386 0.429954 O\n0.815582 0.586386 0.929954 O\n0.184419 0.413614 0.929954 O\n0.086386 0.315581 0.570046 O\n0.403166 0.293691 0.656487 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Gd",
"S",
"O"
],
"chemical_system": "Gd-Li-O-S",
"density": 3.4865000089750624,
"density_atomic": 0.07071088147340454,
"volume": 339.41027886955095,
"volume_molar": 8.516568644763707,
"formula_full": "Li2 Gd2 S4 O16",
"formula_reduced": "LiGd(SO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.9100109583333333,
"spacegroup": 118
},
{
"id": "jvasp-57334",
"created_at": "2022-09-04T14:37:39.859074Z",
"updated_at": "2022-09-04T14:37:39.859106Z",
"structure_string": "Na2 Al2 Mo4 O16\n1.0\n5.300361 0.000000 0.000000\n-2.650181 4.848842 -0.018852\n0.000000 -0.048472 13.203928\nNa Al Mo O\n2 2 4 16\ndirect\n0.921382 0.000000 0.750000 Na\n0.078618 0.000000 0.250000 Na\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.637989 0.344560 0.621956 Mo\n0.362011 0.655440 0.378044 Mo\n0.706571 0.344560 0.121956 Mo\n0.293429 0.655440 0.878044 Mo\n0.250777 0.144196 0.613866 O\n0.609292 0.815664 0.953175 O\n0.929151 0.692354 0.080152 O\n0.252222 0.658656 0.254610 O\n0.236796 0.307645 0.419848 O\n0.406434 0.658656 0.754610 O\n0.749223 0.855804 0.386135 O\n0.070849 0.307646 0.919848 O\n0.106581 0.855804 0.886135 O\n0.206372 0.815663 0.453174 O\n0.893419 0.144196 0.113866 O\n0.390708 0.184336 0.046826 O\n0.793628 0.184337 0.546826 O\n0.747778 0.341344 0.745390 O\n0.593566 0.341344 0.245390 O\n0.763203 0.692355 0.580152 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Na",
"Al",
"Mo",
"O"
],
"chemical_system": "Al-Mo-Na-O",
"density": 3.6195967039404375,
"density_atomic": 0.07072465054124558,
"volume": 339.344200591045,
"volume_molar": 8.514910591870619,
"formula_full": "Na2 Al2 Mo4 O16",
"formula_reduced": "NaAl(MoO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.076125133333333,
"spacegroup": 15
},
{
"id": "jvasp-44131",
"created_at": "2022-09-04T14:38:01.629761Z",
"updated_at": "2022-09-04T14:38:01.629778Z",
"structure_string": "Li4 Co4 Si4 O16\n1.0\n5.014000 0.000000 0.000000\n0.000000 6.332896 0.000000\n0.000000 0.000000 10.686587\nLi Co Si O\n4 4 4 16\ndirect\n0.759197 0.014294 0.160281 Li\n0.759197 0.485706 0.660281 Li\n0.259197 0.514295 0.339720 Li\n0.259197 0.985706 0.839720 Li\n0.258867 0.226793 0.585984 Co\n0.258867 0.273207 0.085984 Co\n0.758867 0.726793 0.914016 Co\n0.758867 0.773207 0.414016 Co\n0.763346 0.984050 0.670834 Si\n0.763346 0.515951 0.170834 Si\n0.263345 0.484050 0.829166 Si\n0.263345 0.015951 0.329166 Si\n0.130217 0.799833 0.389289 O\n0.697014 0.771333 0.585437 O\n0.697014 0.728668 0.085437 O\n0.130217 0.700167 0.889289 O\n0.090388 0.488140 0.175796 O\n0.647311 0.546790 0.314574 O\n0.147311 0.453210 0.685427 O\n0.590388 0.988141 0.324204 O\n0.630217 0.299833 0.110711 O\n0.197014 0.271332 0.914564 O\n0.197014 0.228668 0.414563 O\n0.630217 0.200167 0.610712 O\n0.090388 0.011860 0.675797 O\n0.147311 0.046790 0.185427 O\n0.590388 0.511860 0.824204 O\n0.647311 0.953211 0.814574 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Co",
"Si",
"O"
],
"chemical_system": "Co-Li-O-Si",
"density": 3.091883098989798,
"density_atomic": 0.08251488903637731,
"volume": 339.3326989466833,
"volume_molar": 7.298247419741538,
"formula_full": "Li4 Co4 Si4 O16",
"formula_reduced": "LiCoSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.442439071428572,
"spacegroup": 33
},
{
"id": "jvasp-21668",
"created_at": "2022-09-04T14:38:33.440593Z",
"updated_at": "2022-09-04T14:38:33.440612Z",
"structure_string": "Li8 Mg4 Si4 O16\n1.0\n0.000000 5.019720 -0.006511\n10.743622 0.000000 0.000000\n0.000000 -4.962428 -6.284907\nLi Mg Si O\n8 4 4 16\ndirect\n0.687650 0.837728 0.997402 Li\n0.312350 0.337728 0.502599 Li\n0.312350 0.162272 0.002599 Li\n0.687650 0.662272 0.497401 Li\n0.535600 0.925488 0.238114 Li\n0.464400 0.425488 0.261886 Li\n0.464400 0.074512 0.761886 Li\n0.535600 0.574512 0.738114 Li\n0.190900 0.834219 0.500675 Mg\n0.809100 0.165780 0.499325 Mg\n0.190900 0.665780 0.000675 Mg\n0.809100 0.334220 -0.000675 Mg\n0.935318 0.913922 0.749783 Si\n0.935318 0.586078 0.249783 Si\n0.064682 0.086078 0.250218 Si\n0.064682 0.413922 0.750218 Si\n0.956696 0.941209 0.249071 O\n0.043304 0.058790 0.750929 O\n0.604324 0.910388 0.748409 O\n0.395676 0.410388 0.751592 O\n0.395676 0.089612 0.251591 O\n0.043304 0.441209 0.250929 O\n0.172854 0.159666 0.466900 O\n0.172854 0.340334 0.966900 O\n0.256149 0.660199 0.462999 O\n0.604324 0.589612 0.248409 O\n0.743851 0.339801 0.537002 O\n0.256149 0.839801 0.962999 O\n0.743851 0.160199 0.037002 O\n0.956696 0.558790 0.749071 O\n0.827146 0.840334 0.533101 O\n0.827146 0.659666 0.033100 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mg",
"Si",
"O"
],
"chemical_system": "Li-Mg-O-Si",
"density": 2.5502350589423695,
"density_atomic": 0.09431404137308684,
"volume": 339.2920029098808,
"volume_molar": 6.3852006258301,
"formula_full": "Li8 Mg4 Si4 O16",
"formula_reduced": "Li2MgSiO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.58695520625,
"spacegroup": 14
}
]
}