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=-density_atomic&page=83",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=81",
"results": [
{
"id": "jvasp-112159",
"created_at": "2022-09-04T14:38:44.860252Z",
"updated_at": "2022-09-04T14:38:44.860283Z",
"structure_string": "Hf1 H8 C6 O4\n1.0\n3.798253 0.078633 -0.402720\n1.497914 4.375610 0.705679\n-1.079130 -0.065941 9.724550\nHf H C O\n1 8 6 4\ndirect\n0.303681 0.829036 0.311185 Hf\n0.829182 0.372165 0.920726 H\n0.486980 0.199484 0.903669 H\n0.288726 0.900883 0.858791 H\n0.955131 0.718140 0.833794 H\n0.520950 0.220780 0.670758 H\n0.013815 0.352066 0.625375 H\n0.006862 0.900487 0.601318 H\n0.508110 0.756135 0.654130 H\n0.534766 0.409934 0.928263 C\n0.243207 0.696731 0.824379 C\n0.255265 0.706019 0.668365 C\n0.260690 0.440047 0.454662 C\n0.260449 0.414949 0.611199 C\n0.542871 0.406310 0.083495 C\n0.331098 0.645092 0.118505 O\n0.322865 0.153932 0.416257 O\n0.895990 0.659006 0.362006 O\n0.751365 0.159809 0.172847 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Hf",
"H",
"C",
"O"
],
"chemical_system": "C-H-Hf-O",
"density": 3.3750420010763937,
"density_atomic": 0.11970125354243621,
"volume": 158.7284964669494,
"volume_molar": 5.030975517616484,
"formula_full": "Hf1 H8 C6 O4",
"formula_reduced": "HfH8(C3O2)2",
"formula_anonymous": "AB4C6D8",
"energy_above_hull": 4.733482473684211,
"spacegroup": 1
},
{
"id": "jvasp-62854",
"created_at": "2022-09-04T14:36:08.812299Z",
"updated_at": "2022-09-04T14:36:08.812333Z",
"structure_string": "Mg2 B4 H16\n1.0\n5.559273 -0.000000 0.000000\n0.000000 5.559273 -0.000000\n0.000000 0.000000 5.947636\nMg B H\n2 4 16\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.750149 0.250146 0.250030 B\n0.249851 0.749854 0.250030 B\n0.250146 0.249851 0.749971 B\n0.749854 0.750149 0.749971 B\n0.359489 0.827774 0.413868 H\n0.640511 0.172225 0.413868 H\n0.780531 0.964575 0.713700 H\n0.219468 0.035425 0.713700 H\n0.035425 0.780531 0.286301 H\n0.964575 0.219468 0.286301 H\n0.859677 0.672133 0.913665 H\n0.672133 0.140323 0.086336 H\n0.327866 0.859677 0.086336 H\n0.172225 0.359489 0.586132 H\n0.535473 0.719308 0.786365 H\n0.464526 0.280692 0.786365 H\n0.280692 0.535473 0.213636 H\n0.719308 0.464526 0.213636 H\n0.140323 0.327866 0.913665 H\n0.827774 0.640511 0.586132 H\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Mg",
"B",
"H"
],
"chemical_system": "B-H-Mg",
"density": 0.9754751692799609,
"density_atomic": 0.1196857088476036,
"volume": 183.81476127624148,
"volume_molar": 5.031628937142379,
"formula_full": "Mg2 B4 H16",
"formula_reduced": "Mg(BH4)2",
"formula_anonymous": "AB2C8",
"energy_above_hull": 3.1333903833333334,
"spacegroup": 118
},
{
"id": "jvasp-98641",
"created_at": "2022-09-04T14:35:49.165629Z",
"updated_at": "2022-09-04T14:35:49.165646Z",
"structure_string": "Ga2 H24 N6 O6 F12\n1.0\n5.857995 0.256518 1.238357\n2.321830 7.100714 0.443519\n0.728323 -0.177731 10.344862\nGa H N O F\n2 24 6 6 12\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.054558 0.196734 0.496817 H\n0.326416 0.879053 0.616553 H\n0.673585 0.120947 0.383447 H\n0.056262 0.051433 0.690030 H\n0.943738 0.948566 0.309970 H\n0.322421 0.105281 0.638436 H\n0.677580 0.894719 0.361564 H\n0.968656 0.465671 0.343474 H\n0.031344 0.534329 0.656527 H\n0.336861 0.364660 0.102314 H\n0.663139 0.635339 0.897686 H\n0.945442 0.803266 0.503183 H\n0.787598 0.790057 0.806281 H\n0.379659 0.315945 0.257073 H\n0.620341 0.684055 0.742927 H\n0.739632 0.451358 0.063162 H\n0.260368 0.548641 0.936838 H\n0.439864 0.835006 0.139067 H\n0.560136 0.164994 0.860934 H\n0.587386 0.682389 0.243238 H\n0.412614 0.317610 0.756762 H\n0.761339 0.742656 0.096939 H\n0.212403 0.209943 0.193719 H\n0.238661 0.257343 0.903061 H\n0.774605 0.974362 0.382907 N\n0.255771 0.331525 0.199139 N\n0.225395 0.025638 0.617093 N\n0.597723 0.717210 0.142838 N\n0.402277 0.282790 0.857162 N\n0.744229 0.668475 0.800861 N\n0.415528 0.431498 -0.069519 O\n0.584473 0.568502 0.069519 O\n-0.036631 0.505567 0.752087 O\n0.036631 0.494433 0.247913 O\n0.801306 0.928099 0.514923 O\n0.198694 0.071901 0.485078 O\n0.149305 0.608766 0.512089 F\n0.850695 0.391234 0.487911 F\n0.441477 0.292026 0.600964 F\n0.558524 0.707974 0.399036 F\n0.035420 0.732318 0.994255 F\n0.145469 0.976100 0.154278 F\n0.314642 -0.050004 0.877719 F\n0.685358 0.050004 0.122281 F\n0.854532 0.023900 0.845722 F\n0.561861 0.355204 0.340393 F\n0.964581 0.267682 0.005745 F\n0.438140 0.644796 0.659608 F\n",
"nsites": 50,
"nelements": 5,
"elements": [
"Ga",
"H",
"N",
"O",
"F"
],
"chemical_system": "F-Ga-H-N-O",
"density": 2.2721796807509005,
"density_atomic": 0.1196824120230143,
"volume": 417.77232890648344,
"volume_molar": 5.0317675406157205,
"formula_full": "Ga2 H24 N6 O6 F12",
"formula_reduced": "GaH12N3(OF2)3",
"formula_anonymous": "AB3C3D6E12",
"energy_above_hull": 2.6260529708,
"spacegroup": 2
},
{
"id": "jvasp-33719",
"created_at": "2022-09-04T14:38:00.979688Z",
"updated_at": "2022-09-04T14:38:00.979732Z",
"structure_string": "P2 H12 N2 O4\n1.0\n3.711080 5.786280 0.000000\n-3.711080 5.786280 0.000000\n0.000000 -0.000000 3.891292\nP H N O\n2 12 2 4\ndirect\n0.250000 0.250000 0.065846 P\n0.750000 0.750000 0.934153 P\n0.780274 0.115242 0.345581 H\n0.884758 0.219726 0.654418 H\n0.615242 0.280274 0.654418 H\n0.719726 0.384758 0.345581 H\n0.400395 0.099605 0.291298 H\n0.900395 0.599605 0.708702 H\n0.099605 0.400395 0.291298 H\n0.280274 0.615242 0.654418 H\n0.384758 0.719726 0.345581 H\n0.219726 0.884758 0.654418 H\n0.115242 0.780274 0.345581 H\n0.599605 0.900395 0.708702 H\n0.250000 0.750000 0.500000 N\n0.750000 0.250000 0.500000 N\n0.363505 0.363505 0.867960 O\n0.136494 0.136494 0.867960 O\n0.863505 0.863505 0.132040 O\n0.636494 0.636494 0.132040 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"P",
"H",
"N",
"O"
],
"chemical_system": "H-N-O-P",
"density": 1.6499635400610004,
"density_atomic": 0.11967582134461695,
"volume": 167.1181344342585,
"volume_molar": 5.032044645558538,
"formula_full": "P2 H12 N2 O4",
"formula_reduced": "PH6NO2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 3.321040575,
"spacegroup": 67
},
{
"id": "jvasp-46904",
"created_at": "2022-09-04T14:38:07.341742Z",
"updated_at": "2022-09-04T14:38:07.341771Z",
"structure_string": "Li6 Ni1 O1 F6\n1.0\n-0.000000 -2.004860 -2.004860\n-0.000000 2.004860 -2.004860\n14.557043 0.000000 2.004860\nLi Ni O F\n6 1 1 6\ndirect\n0.575489 0.575489 0.150978 Li\n0.146546 0.146546 0.293090 Li\n0.715377 0.715377 0.430754 Li\n0.284623 0.284623 0.569246 Li\n0.853454 0.853454 0.706910 Li\n0.424511 0.424511 0.849022 Li\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.000000 O\n0.077577 0.077577 0.155153 F\n0.646158 0.646158 0.292316 F\n0.215455 0.215455 0.430909 F\n0.784545 0.784545 0.569091 F\n0.353842 0.353842 0.707684 F\n0.922423 0.922423 0.844847 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Ni",
"O",
"F"
],
"chemical_system": "F-Li-Ni-O",
"density": 3.2683372980398753,
"density_atomic": 0.11963459203815346,
"volume": 117.02300949490568,
"volume_molar": 5.033778823836704,
"formula_full": "Li6 Ni1 O1 F6",
"formula_reduced": "Li6NiOF6",
"formula_anonymous": "ABC6D6",
"energy_above_hull": 0.3966476853571427,
"spacegroup": 139
},
{
"id": "jvasp-112028",
"created_at": "2022-09-04T14:38:43.421220Z",
"updated_at": "2022-09-04T14:38:43.421242Z",
"structure_string": "Ca2 H20 C14 O8\n1.0\n4.368025 -0.069543 -0.255811\n-1.232684 7.456182 -0.863200\n0.016742 0.137382 11.305441\nCa H C O\n2 20 14 8\ndirect\n0.927212 0.500243 0.819485 Ca\n0.927212 0.000243 0.819485 Ca\n0.192594 0.078427 0.398203 H\n0.190466 0.807368 0.443804 H\n0.190466 0.307368 0.443803 H\n0.735025 0.840392 0.541675 H\n0.735024 0.340393 0.541675 H\n0.736823 0.114912 0.498693 H\n0.736824 0.614912 0.498693 H\n0.669459 0.667525 0.287188 H\n0.669458 0.167526 0.287188 H\n0.192595 0.578427 0.398203 H\n0.668959 0.394211 0.334348 H\n0.668960 0.894211 0.334348 H\n0.659316 0.745855 0.073616 H\n0.658073 0.969401 0.128543 H\n0.658072 0.469401 0.128543 H\n0.659316 0.245855 0.073616 H\n0.145377 0.869588 0.220257 H\n0.159577 0.145465 0.167351 H\n0.159577 0.645465 0.167351 H\n0.145377 0.369588 0.220257 H\n0.503705 0.840762 0.098372 C\n0.503705 0.340762 0.098372 C\n0.306159 0.776613 0.198238 C\n0.306159 0.276613 0.198238 C\n0.513596 0.763566 0.309558 C\n0.513595 0.263566 0.309558 C\n0.342862 0.711028 0.418813 C\n0.579465 0.709448 0.523117 C\n0.579465 0.209449 0.523117 C\n0.329898 0.861774 0.982906 C\n0.329898 0.361774 0.982906 C\n0.464088 0.657254 0.640811 C\n0.464087 0.157254 0.640811 C\n0.342861 0.211029 0.418813 C\n0.657579 0.214098 0.733134 O\n0.204928 0.056483 0.646006 O\n0.204929 0.556482 0.646006 O\n0.453669 0.475602 0.916288 O\n0.453670 0.975602 0.916288 O\n0.059453 0.268122 0.952427 O\n0.059453 0.768122 0.952427 O\n0.657580 0.714097 0.733134 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Ca",
"H",
"C",
"O"
],
"chemical_system": "C-Ca-H-O",
"density": 1.7897878127976212,
"density_atomic": 0.11962059767186516,
"volume": 367.82962847834716,
"volume_molar": 5.0343677236252535,
"formula_full": "Ca2 H20 C14 O8",
"formula_reduced": "CaH10C7O4",
"formula_anonymous": "AB4C7D10",
"energy_above_hull": 4.423175655454545,
"spacegroup": 1
},
{
"id": "jvasp-29789",
"created_at": "2022-09-04T14:37:09.821108Z",
"updated_at": "2022-09-04T14:37:09.821136Z",
"structure_string": "Cu2 H4 O4\n1.0\n1.492204 5.225412 0.000000\n-1.512010 5.221887 0.000000\n0.000000 0.000000 5.327090\nCu H O\n2 4 4\ndirect\n0.178952 0.179342 0.239394 Cu\n0.821047 0.820659 0.739394 Cu\n0.510461 0.511287 0.411412 H\n0.489538 0.488714 0.911412 H\n0.883990 0.882971 0.225517 H\n0.116009 0.117030 0.725517 H\n0.552642 0.553764 0.243967 O\n0.447356 0.446237 0.743967 O\n0.796974 0.796753 0.298244 O\n0.203025 0.203248 0.798244 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cu",
"H",
"O"
],
"chemical_system": "Cu-H-O",
"density": 3.8757701830458906,
"density_atomic": 0.11962008466822532,
"volume": 83.59800135349928,
"volume_molar": 5.034389314054432,
"formula_full": "Cu2 H4 O4",
"formula_reduced": "Cu(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.87381549,
"spacegroup": 36
},
{
"id": "jvasp-44643",
"created_at": "2022-09-04T14:38:09.136656Z",
"updated_at": "2022-09-04T14:38:09.136682Z",
"structure_string": "Li2 Cr1 Ni1 O4\n1.0\n5.043899 -0.181378 -0.000000\n2.044375 4.614580 0.000000\n-3.544137 -2.216602 2.828355\nLi Cr Ni O\n2 1 1 4\ndirect\n0.249999 0.750000 0.500001 Li\n0.500000 0.500000 -0.000000 Li\n0.750000 0.250000 0.500001 Cr\n0.000000 0.000000 0.000000 Ni\n0.516698 0.016698 0.500001 O\n0.232412 0.232412 -0.000000 O\n0.983302 0.483302 0.500001 O\n0.767588 0.767588 -0.000000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Ni",
"O"
],
"chemical_system": "Cr-Li-Ni-O",
"density": 4.681908018953499,
"density_atomic": 0.11961709156061877,
"volume": 66.8800745414029,
"volume_molar": 5.0345152865952585,
"formula_full": "Li2 Cr1 Ni1 O4",
"formula_reduced": "Li2CrNiO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.222826725,
"spacegroup": 119
},
{
"id": "jvasp-16044",
"created_at": "2022-09-04T14:35:53.921631Z",
"updated_at": "2022-09-04T14:35:53.921650Z",
"structure_string": "Mn4 B4\n1.0\n2.977851 0.000000 0.000000\n-0.000000 4.116707 0.000000\n0.000000 0.000000 5.455779\nMn B\n4 4\ndirect\n0.250000 0.378026 0.675087 Mn\n0.750000 0.621975 0.324913 Mn\n0.750000 0.878026 0.824913 Mn\n0.250000 0.121975 0.175087 Mn\n0.250000 0.886294 0.533378 B\n0.750000 0.113706 0.466622 B\n0.750000 0.386294 0.966622 B\n0.250000 0.613707 0.033378 B\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mn",
"B"
],
"chemical_system": "B-Mn",
"density": 6.529634117516686,
"density_atomic": 0.11961352679897581,
"volume": 66.88206772336805,
"volume_molar": 5.0346653268746895,
"formula_full": "Mn4 B4",
"formula_reduced": "MnB",
"formula_anonymous": "AB",
"energy_above_hull": 2.687104912356322,
"spacegroup": 62
},
{
"id": "jvasp-104756",
"created_at": "2022-09-04T14:36:55.382536Z",
"updated_at": "2022-09-04T14:36:55.382556Z",
"structure_string": "Be2 Co1\n1.0\n3.795426 -0.302301 1.522232\n3.275668 2.222142 1.057074\n-0.091642 0.445103 2.579306\nBe Co\n2 1\ndirect\n0.336190 0.336188 0.663811 Be\n0.663813 0.663812 0.336187 Be\n0.000000 0.000000 0.000000 Co\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Be",
"Co"
],
"chemical_system": "Be-Co",
"density": 5.095161699980872,
"density_atomic": 0.11961312713744998,
"volume": 25.080859198277096,
"volume_molar": 5.034682149125514,
"formula_full": "Be2 Co1",
"formula_reduced": "Be2Co",
"formula_anonymous": "AB2",
"energy_above_hull": 1.9492843666666664,
"spacegroup": 139
},
{
"id": "jvasp-101944",
"created_at": "2022-09-04T14:37:07.663573Z",
"updated_at": "2022-09-04T14:37:07.663589Z",
"structure_string": "Hf1 H8 C6 O4\n1.0\n3.800346 0.081217 -0.415425\n1.498155 4.377823 0.698109\n-1.090894 -0.080652 9.726341\nHf H C O\n1 8 6 4\ndirect\n0.297451 0.827442 0.312512 Hf\n0.827036 0.373093 0.923253 H\n0.486271 0.198419 0.903715 H\n0.284416 0.900736 0.860912 H\n0.951187 0.717088 0.834786 H\n0.519684 0.220729 0.671856 H\n0.011868 0.350346 0.627149 H\n0.001955 0.900185 0.602665 H\n0.504028 0.756913 0.655804 H\n0.531550 0.409638 0.929697 C\n0.240008 0.695886 0.825866 C\n0.251505 0.705585 0.669954 C\n0.253492 0.439429 0.455688 C\n0.257479 0.414757 0.612395 C\n0.537985 0.403733 0.084725 C\n0.326409 0.640953 0.120404 O\n0.316739 0.153822 0.417098 O\n0.890912 0.657422 0.363718 O\n0.746430 0.156942 0.173398 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Hf",
"H",
"C",
"O"
],
"chemical_system": "C-H-Hf-O",
"density": 3.3723673127355385,
"density_atomic": 0.11960639144971746,
"volume": 158.8543870415788,
"volume_molar": 5.034965679515303,
"formula_full": "Hf1 H8 C6 O4",
"formula_reduced": "HfH8(C3O2)2",
"formula_anonymous": "AB4C6D8",
"energy_above_hull": 4.733869842105264,
"spacegroup": 1
},
{
"id": "jvasp-112741",
"created_at": "2022-09-04T14:38:42.733368Z",
"updated_at": "2022-09-04T14:38:42.733385Z",
"structure_string": "Li4 Co2 Cu2 O8\n1.0\n3.634937 0.000328 -1.609577\n1.345327 7.234159 -1.869792\n0.068214 -0.037254 5.064207\nLi Co Cu O\n4 2 2 8\ndirect\n0.751557 0.874236 0.377290 Li\n0.751599 0.374229 0.877367 Li\n0.499497 0.750238 0.749266 Li\n0.499600 0.250193 0.249427 Li\n0.000390 0.499838 0.500588 Co\n0.000387 -0.000168 0.000574 Co\n0.249687 0.625162 0.124531 Cu\n0.249695 0.125168 0.624557 Cu\n0.015705 0.242114 0.273575 O\n0.015681 0.742119 0.773532 O\n0.483295 0.008325 0.974968 O\n0.483297 0.508311 0.474959 O\n0.225783 0.887107 0.338644 O\n0.225782 0.387139 0.838675 O\n0.774028 0.612993 0.161034 O\n0.774016 0.113002 0.661020 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Co",
"Cu",
"O"
],
"chemical_system": "Co-Cu-Li-O",
"density": 4.973653500996815,
"density_atomic": 0.1195936179784687,
"volume": 133.78640324168967,
"volume_molar": 5.035503450597347,
"formula_full": "Li4 Co2 Cu2 O8",
"formula_reduced": "Li2CoCuO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.84471441875,
"spacegroup": 119
}
]
}