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&page=77",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=75",
"results": [
{
"id": "jvasp-36572",
"created_at": "2022-09-04T14:37:29.723114Z",
"updated_at": "2022-09-04T14:37:29.723138Z",
"structure_string": "Li1 Mg2 Al1\n1.0\n-10.491078 0.000001 -6.057028\n-6.719479 0.261005 -0.475573\n-5.859891 2.692287 -1.964425\nLi Mg Al\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.735302 -0.000000 -0.000000 Mg\n0.264699 -0.000000 -0.000000 Mg\n0.500000 -0.000000 -0.000000 Al\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Al"
],
"chemical_system": "Al-Li-Mg",
"density": 1.4854796239876882,
"density_atomic": 0.043356317625044896,
"volume": 92.25875764157122,
"volume_molar": 13.889880621506688,
"formula_full": "Li1 Mg2 Al1",
"formula_reduced": "LiMg2Al",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4781504666666668,
"spacegroup": 71
},
{
"id": "jvasp-78446",
"created_at": "2022-09-04T14:37:15.269866Z",
"updated_at": "2022-09-04T14:37:15.269881Z",
"structure_string": "B1 N1\n1.0\n-2.298536 2.298536 -1.312045\n2.298536 -2.298536 -1.312045\n-2.298536 -2.298536 1.312045\nB N\n1 1\ndirect\n0.595001 0.595001 0.000000 B\n0.095001 0.095001 0.000000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"B",
"N"
],
"chemical_system": "B-N",
"density": 1.4862753867484553,
"density_atomic": 0.07213045197754632,
"volume": 27.727540105011197,
"volume_molar": 8.34895747204613,
"formula_full": "B1 N1",
"formula_reduced": "BN",
"formula_anonymous": "AB",
"energy_above_hull": 2.9149029166666667,
"spacegroup": 139
},
{
"id": "jvasp-68683",
"created_at": "2022-09-04T14:35:44.176726Z",
"updated_at": "2022-09-04T14:35:44.176745Z",
"structure_string": "Na2 Be1 Cl1\n1.0\n-1.980956 1.980956 6.435692\n1.980956 -1.980956 6.435692\n1.980956 1.980956 -6.435692\nNa Be Cl\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.250000 0.750001 0.500001 Na\n0.500000 0.500000 0.000000 Be\n0.750001 0.250000 0.500001 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Be",
"Cl"
],
"chemical_system": "Be-Cl-Na",
"density": 1.4867139531059272,
"density_atomic": 0.03959634412321288,
"volume": 101.0194271358261,
"volume_molar": 15.20883024266271,
"formula_full": "Na2 Be1 Cl1",
"formula_reduced": "Na2BeCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.074827041875,
"spacegroup": 119
},
{
"id": "jvasp-104135",
"created_at": "2022-09-04T14:37:02.239032Z",
"updated_at": "2022-09-04T14:37:02.239063Z",
"structure_string": "H12 C17 S1\n1.0\n3.749427 -0.195753 0.536067\n0.734272 5.325045 1.317650\n1.164302 0.111216 13.994081\nH C S\n12 17 1\ndirect\n0.528209 0.778750 0.957235 H\n-0.159221 0.082800 0.037168 H\n0.414506 0.221460 0.020068 H\n0.758865 0.030954 0.790114 H\n0.324020 0.700075 0.115581 H\n0.577940 0.577311 0.582394 H\n0.109555 0.455183 0.476869 H\n0.730464 0.796552 0.408034 H\n0.442358 0.397144 0.718620 H\n0.206672 0.633314 0.309458 H\n0.956995 0.235423 0.652657 H\n0.203267 0.145905 0.884684 H\n0.426909 0.143415 0.426678 C\n0.214055 0.262025 0.499471 C\n0.865562 0.837777 0.809887 C\n0.424376 0.532739 0.164437 C\n0.126232 0.135298 0.599894 C\n0.734884 0.694159 0.906040 C\n0.355848 0.494914 0.270571 C\n0.120514 0.737720 0.738243 C\n0.242046 0.485786 0.769517 C\n0.484477 0.262921 0.319700 C\n0.244089 0.883177 0.633906 C\n0.849722 0.441403 0.935076 C\n0.560974 0.895936 0.461326 C\n0.679006 0.262744 0.031049 C\n0.473044 0.770438 0.561537 C\n0.108843 0.342446 0.864821 C\n0.609430 0.330875 0.131032 C\n0.701605 0.096028 0.231571 S\n",
"nsites": 30,
"nelements": 3,
"elements": [
"H",
"C",
"S"
],
"chemical_system": "C-H-S",
"density": 1.4872086542016982,
"density_atomic": 0.10819160713884195,
"volume": 277.28583384015263,
"volume_molar": 5.5661810737979005,
"formula_full": "H12 C17 S1",
"formula_reduced": "H12C17S",
"formula_anonymous": "AB12C17",
"energy_above_hull": 5.804564,
"spacegroup": 1
},
{
"id": "jvasp-93192",
"created_at": "2022-09-04T14:35:44.815165Z",
"updated_at": "2022-09-04T14:35:44.815195Z",
"structure_string": "K1 Li1 Mg6\n1.0\n7.157030 0.450020 0.000000\n-3.188786 5.523139 0.000000\n0.000000 0.000000 5.219719\nK Li Mg\n1 1 6\ndirect\n0.116651 0.308326 0.250000 K\n0.213630 0.856814 0.250000 Li\n0.639859 0.327901 0.250000 Mg\n0.639859 0.811957 0.250000 Mg\n0.362999 0.177300 0.750000 Mg\n0.362999 0.685699 0.750000 Mg\n0.779437 0.139719 0.750000 Mg\n0.884567 0.692283 0.750000 Mg\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Li",
"Mg"
],
"chemical_system": "K-Li-Mg",
"density": 1.4900541232251834,
"density_atomic": 0.03741428429949523,
"volume": 213.8220775776788,
"volume_molar": 16.09583310960527,
"formula_full": "K1 Li1 Mg6",
"formula_reduced": "KLiMg6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-120215",
"created_at": "2022-09-04T14:38:53.272415Z",
"updated_at": "2022-09-04T14:38:53.272443Z",
"structure_string": "H2 Cl1\n1.0\n6.457903 -0.391929 -0.264027\n3.095362 -2.256834 -0.218095\n2.245268 0.002369 -3.210226\nH Cl\n2 1\ndirect\n0.586059 0.758249 0.002745 H\n0.365875 0.198667 0.002741 H\n0.975962 0.978461 0.002712 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"H",
"Cl"
],
"chemical_system": "Cl-H",
"density": 1.4903327439273828,
"density_atomic": 0.07185958240227061,
"volume": 41.74808563743068,
"volume_molar": 8.38042827230473,
"formula_full": "H2 Cl1",
"formula_reduced": "H2Cl",
"formula_anonymous": "AB2",
"energy_above_hull": 1.604691355833333,
"spacegroup": 71
},
{
"id": "jvasp-102005",
"created_at": "2022-09-04T14:37:00.008644Z",
"updated_at": "2022-09-04T14:37:00.008671Z",
"structure_string": "H24 C16 O8\n1.0\n5.073944 -0.057272 0.587773\n0.834787 5.786277 0.908845\n0.263129 -0.055492 13.061668\nH C O\n24 16 8\ndirect\n0.920553 0.268231 0.902384 H\n0.909297 0.825909 0.523368 H\n0.639755 0.613125 0.940226 H\n0.360245 0.386877 0.059774 H\n0.721930 0.969618 0.359938 H\n0.278070 0.030383 0.640062 H\n0.501620 0.541245 0.315357 H\n0.498380 0.458756 0.684643 H\n0.715585 0.544024 0.410291 H\n0.284415 0.455977 0.589709 H\n0.353356 0.928459 0.198962 H\n0.646644 0.071542 0.801039 H\n0.090703 0.174092 0.476633 H\n0.563818 0.810833 0.769075 H\n0.436182 0.189168 0.230925 H\n0.268630 0.923201 0.927567 H\n0.731370 0.076801 0.072433 H\n0.083453 0.928461 0.822397 H\n0.079447 0.731770 0.097616 H\n0.918923 0.355146 0.719141 H\n0.081077 0.644855 0.280859 H\n0.038305 0.592416 0.755436 H\n-0.038304 0.407585 0.244565 H\n0.916547 0.071541 0.177603 H\n0.320112 0.928234 0.411020 C\n0.679888 0.071767 0.588980 C\n0.566557 0.883316 0.335684 C\n0.433443 0.116685 0.664316 C\n0.664446 0.626881 0.332879 C\n0.335554 0.373120 0.667121 C\n0.510189 0.006760 0.226385 C\n0.489810 0.993241 0.773615 C\n0.090708 0.407338 0.748208 C\n0.764982 -0.013539 0.150707 C\n0.235017 0.013539 0.849293 C\n0.881289 0.731671 0.143132 C\n0.118711 0.268330 0.856869 C\n0.711242 0.633230 0.079953 C\n0.288757 0.366772 0.920047 C\n0.909292 0.592663 0.251792 C\n0.825319 0.221618 0.550635 O\n0.467760 0.485144 0.880388 O\n0.532240 0.514857 0.119612 O\n0.239475 0.309956 0.022523 O\n0.760524 0.690046 0.977477 O\n0.733068 0.854129 0.571021 O\n0.266932 0.145872 0.428979 O\n0.174680 0.778383 0.449365 O\n",
"nsites": 48,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.491341971431016,
"density_atomic": 0.1251873698923184,
"volume": 383.42526120077326,
"volume_molar": 4.810501862272549,
"formula_full": "H24 C16 O8",
"formula_reduced": "H3C2O",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.03115225,
"spacegroup": 2
},
{
"id": "jvasp-117470",
"created_at": "2022-09-04T14:38:51.180205Z",
"updated_at": "2022-09-04T14:38:51.180235Z",
"structure_string": "B2 H2\n1.0\n2.811175 -0.093941 0.295229\n-0.164185 -4.779819 0.033314\n0.202687 -0.020179 -1.934288\nB H\n2 2\ndirect\n0.234914 0.143450 0.055558 B\n0.734963 0.311615 0.555623 B\n0.735028 0.557422 0.555703 H\n0.234861 0.897649 0.055458 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"B",
"H"
],
"chemical_system": "B-H",
"density": 1.4919501915625974,
"density_atomic": 0.15203959176717807,
"volume": 26.308936728304936,
"volume_molar": 3.960903005594655,
"formula_full": "B2 H2",
"formula_reduced": "BH",
"formula_anonymous": "AB",
"energy_above_hull": 2.446581291666667,
"spacegroup": 59
},
{
"id": "jvasp-103888",
"created_at": "2022-09-04T14:36:55.549187Z",
"updated_at": "2022-09-04T14:36:55.549211Z",
"structure_string": "Ti1 H16 C9 O4\n1.0\n5.011753 0.104413 -0.731091\n-0.948948 6.577363 -1.619150\n-0.747406 0.189600 8.001488\nTi H C O\n1 16 9 4\ndirect\n0.304079 0.364663 0.699405 Ti\n0.633315 0.701222 -0.002126 H\n0.939445 0.599386 0.629650 H\n0.103743 0.068703 0.409430 H\n0.837944 0.179939 0.491068 H\n0.006427 -0.005625 0.591905 H\n0.858297 0.829477 0.198173 H\n0.116224 0.689718 0.857082 H\n0.267590 0.755512 0.689476 H\n0.451981 0.882370 0.328300 H\n0.728854 0.602879 0.371506 H\n0.547066 0.457421 0.163956 H\n0.056501 0.068864 0.066252 H\n0.845513 0.933895 0.862327 H\n0.425022 0.017168 -0.033971 H\n0.642097 0.145422 0.173709 H\n0.235619 0.728401 0.131028 H\n0.624295 0.022265 0.058667 C\n0.856812 0.062405 0.973716 C\n0.527105 0.570150 0.277588 C\n0.446852 0.759630 0.214636 C\n0.871820 0.242668 0.894945 C\n0.320545 0.470694 0.352756 C\n0.142501 0.639034 0.724632 C\n0.033441 0.119584 0.527681 C\n0.649819 0.822328 0.114987 C\n0.425560 0.425992 0.508161 O\n0.102938 0.304359 0.873942 O\n0.656164 0.321503 0.840009 O\n0.075146 0.428663 0.277035 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ti",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Ti",
"density": 1.491997828181286,
"density_atomic": 0.11417382359336564,
"volume": 262.7572507937207,
"volume_molar": 5.274537166634692,
"formula_full": "Ti1 H16 C9 O4",
"formula_reduced": "TiH16C9O4",
"formula_anonymous": "AB4C9D16",
"energy_above_hull": 4.656744411111111,
"spacegroup": 1
},
{
"id": "jvasp-112241",
"created_at": "2022-09-04T14:38:44.049419Z",
"updated_at": "2022-09-04T14:38:44.049446Z",
"structure_string": "H14 C6 O5\n1.0\n6.174766 -0.037485 -1.648376\n1.951018 5.858554 -1.648376\n0.240013 0.171938 5.002592\nH C O\n14 6 5\ndirect\n0.211251 0.014405 0.666616 H\n0.316439 0.591561 0.109893 H\n0.240617 0.312998 0.293481 H\n0.687003 0.759383 0.706517 H\n0.024105 0.813116 0.814072 H\n0.186884 0.975894 0.185926 H\n0.521357 0.278787 0.673803 H\n0.408439 0.683562 0.890105 H\n0.688481 0.090255 0.110717 H\n0.909746 0.311520 0.889281 H\n0.562253 0.958483 0.279793 H\n0.041517 0.437748 0.720205 H\n0.985596 0.788749 0.333382 H\n0.721214 0.478644 0.326196 H\n0.552432 0.298660 0.472977 C\n0.701341 0.447568 0.527021 C\n0.668931 0.066746 0.314126 C\n0.933255 0.331070 0.685873 C\n0.053146 0.098318 0.536400 C\n0.901683 0.946854 0.463598 C\n0.589692 0.661850 0.683148 O\n0.283264 0.716736 -0.000001 O\n0.107964 0.128614 0.284522 O\n0.871387 0.892037 0.715476 O\n0.338150 0.410308 0.316851 O\n",
"nsites": 25,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.4926305043036785,
"density_atomic": 0.13523354610076077,
"volume": 184.86537342866706,
"volume_molar": 4.453141201749587,
"formula_full": "H14 C6 O5",
"formula_reduced": "H14C6O5",
"formula_anonymous": "A5B6C14",
"energy_above_hull": 4.2853823,
"spacegroup": 5
},
{
"id": "jvasp-121070",
"created_at": "2022-09-04T14:38:54.625299Z",
"updated_at": "2022-09-04T14:38:54.625330Z",
"structure_string": "P1 H3\n1.0\n5.117027 0.506033 0.303322\n-2.215485 -3.542361 -0.269988\n-1.160690 -0.020483 -2.288870\nP H\n1 3\ndirect\n0.748076 0.454614 0.098438 P\n0.962991 0.884311 0.102085 H\n0.145907 0.465733 0.491325 H\n0.361365 0.465709 0.706724 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"P",
"H"
],
"chemical_system": "H-P",
"density": 1.4927218921828447,
"density_atomic": 0.10576494944099463,
"volume": 37.81971268498139,
"volume_molar": 5.693890832292887,
"formula_full": "P1 H3",
"formula_reduced": "PH3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.735301375,
"spacegroup": 44
},
{
"id": "jvasp-55689",
"created_at": "2022-09-04T14:38:06.231927Z",
"updated_at": "2022-09-04T14:38:06.231938Z",
"structure_string": "Na6 Al2 H12\n1.0\n0.000000 5.339660 0.000135\n5.527076 0.000000 0.000000\n0.000000 -5.336457 -7.689258\nNa Al H\n6 2 12\ndirect\n0.500000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.242926 0.953134 0.752931 Na\n0.757074 0.453134 0.747070 Na\n0.757075 0.046867 0.247070 Na\n0.242926 0.546867 0.252931 Na\n0.000000 0.000000 0.000000 Al\n-0.000000 0.500000 0.500000 Al\n0.681862 0.452691 0.282980 H\n0.318138 0.952691 0.217020 H\n0.772309 0.669392 0.544851 H\n0.227691 0.169391 0.955150 H\n0.227691 0.330609 0.455149 H\n0.902537 0.268710 0.062998 H\n0.097464 0.731291 0.937003 H\n0.902536 0.231290 0.562998 H\n0.681862 0.047309 0.782981 H\n0.097464 0.768710 0.437003 H\n0.772309 0.830610 0.044851 H\n0.318138 0.547310 0.717020 H\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Al",
"H"
],
"chemical_system": "Al-H-Na",
"density": 1.4927496114862306,
"density_atomic": 0.0881341341099217,
"volume": 226.92683376290753,
"volume_molar": 6.832926675706748,
"formula_full": "Na6 Al2 H12",
"formula_reduced": "Na3AlH6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 1.76912598,
"spacegroup": 14
}
]
}