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=213",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=211",
"results": [
{
"id": "jvasp-71583",
"created_at": "2022-09-04T14:35:47.919882Z",
"updated_at": "2022-09-04T14:35:47.919913Z",
"structure_string": "K2 Be1 Ga1\n1.0\n3.510111 0.000000 -0.000000\n0.000000 3.510111 0.000000\n0.000000 0.000000 10.010260\nK Be Ga\n2 1 1\ndirect\n0.000000 0.000000 0.921384 K\n0.500000 0.500000 0.326852 K\n0.000000 0.000000 0.596860 Be\n0.500000 0.500000 0.654905 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Be",
"Ga"
],
"chemical_system": "Be-Ga-K",
"density": 2.112870820341535,
"density_atomic": 0.032431940375699145,
"volume": 123.33520454413363,
"volume_molar": 18.568549060704107,
"formula_full": "K2 Be1 Ga1",
"formula_reduced": "K2BeGa",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0108508937499999,
"spacegroup": 99
},
{
"id": "jvasp-115234",
"created_at": "2022-09-04T14:38:45.492960Z",
"updated_at": "2022-09-04T14:38:45.492986Z",
"structure_string": "Mg1 O2\n1.0\n3.134255 0.000000 0.000000\n0.000000 3.722753 0.000000\n0.000000 0.000000 3.791445\nMg O\n1 2\ndirect\n0.466669 0.000000 0.000000 Mg\n-0.033334 0.000000 0.690581 O\n-0.033334 0.000000 0.309417 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"O"
],
"chemical_system": "Mg-O",
"density": 2.113408716555653,
"density_atomic": 0.06781377870893625,
"volume": 44.23879714587665,
"volume_molar": 8.880408782185182,
"formula_full": "Mg1 O2",
"formula_reduced": "MgO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.3743645,
"spacegroup": 47
},
{
"id": "jvasp-51488",
"created_at": "2022-09-04T14:37:30.587688Z",
"updated_at": "2022-09-04T14:37:30.587727Z",
"structure_string": "Ca3 Sn1 N1\n1.0\n5.835738 -0.000000 -0.000000\n-0.000000 5.835738 -0.000000\n-0.000000 0.000000 5.835738\nCa Sn N\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.000000 0.500000 0.500000 Ca\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"N"
],
"chemical_system": "Ca-N-Sn",
"density": 2.113477487018106,
"density_atomic": 0.02515837853841186,
"volume": 198.7409479655452,
"volume_molar": 23.936919268486978,
"formula_full": "Ca3 Sn1 N1",
"formula_reduced": "Ca3SnN",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.042213242,
"spacegroup": 221
},
{
"id": "jvasp-54742",
"created_at": "2022-09-04T14:38:18.847690Z",
"updated_at": "2022-09-04T14:38:18.847717Z",
"structure_string": "Be4 H8 O8\n1.0\n4.807069 0.000000 0.000000\n0.000000 4.806342 0.000000\n0.000000 0.000000 5.851816\nBe H O\n4 8 8\ndirect\n0.080637 0.669151 0.874996 Be\n0.580637 0.830848 0.125005 Be\n0.419363 0.330848 0.374995 Be\n0.919363 0.169151 0.625005 Be\n0.825322 0.742623 0.553274 H\n0.325322 0.757376 0.446727 H\n0.174678 0.242624 0.946727 H\n0.674678 0.257376 0.053274 H\n0.492812 0.075835 0.696785 H\n0.507189 0.575835 0.803217 H\n0.007188 0.924165 0.196784 H\n-0.007188 0.424165 0.303216 H\n0.474199 0.668938 0.356627 O\n0.918598 0.775430 0.106613 O\n0.418597 0.724569 0.893388 O\n0.581403 0.224570 0.606614 O\n0.081403 0.275430 0.393387 O\n0.025801 0.331062 0.856628 O\n0.525801 0.168938 0.143373 O\n0.974199 0.831062 0.643374 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Be",
"H",
"O"
],
"chemical_system": "Be-H-O",
"density": 2.1137960118797943,
"density_atomic": 0.14792592968859575,
"volume": 135.2028007672673,
"volume_molar": 4.071051486833599,
"formula_full": "Be4 H8 O8",
"formula_reduced": "Be(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.15324062,
"spacegroup": 92
},
{
"id": "jvasp-54737",
"created_at": "2022-09-04T14:37:52.489836Z",
"updated_at": "2022-09-04T14:37:52.489856Z",
"structure_string": "Be4 H8 O8\n1.0\n4.808533 0.000000 0.000000\n0.000000 4.810050 0.000000\n0.000000 0.000000 5.844828\nBe H O\n4 8 8\ndirect\n0.080811 0.169316 0.874994 Be\n0.580811 0.330684 0.125007 Be\n0.419188 0.830684 0.374993 Be\n0.919188 0.669316 0.625007 Be\n0.825598 0.243045 0.553069 H\n0.325599 0.256955 0.446931 H\n0.174401 0.743045 0.946931 H\n0.674401 0.756955 0.053069 H\n0.492820 0.575319 0.696869 H\n0.507180 0.075319 0.803131 H\n0.007180 0.424682 0.196869 H\n-0.007180 0.924682 0.303131 H\n0.474454 0.168544 0.356765 O\n0.918792 0.275795 0.106761 O\n0.418792 0.224205 0.893240 O\n0.581207 0.724205 0.606761 O\n0.081207 0.775795 0.393239 O\n0.025546 0.831456 0.856765 O\n0.525545 0.668544 0.143235 O\n0.974454 0.331456 0.643236 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Be",
"H",
"O"
],
"chemical_system": "Be-H-O",
"density": 2.1140479584665823,
"density_atomic": 0.1479435612069036,
"volume": 135.18668765874432,
"volume_molar": 4.070566309795566,
"formula_full": "Be4 H8 O8",
"formula_reduced": "Be(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.15326462,
"spacegroup": 92
},
{
"id": "jvasp-97944",
"created_at": "2022-09-04T14:36:16.242396Z",
"updated_at": "2022-09-04T14:36:16.242425Z",
"structure_string": "Y1 H16 C4 N9 O16\n1.0\n3.163144 10.546568 -0.524852\n-3.163144 10.546568 0.524852\n0.414501 0.000000 6.230291\nY H C N O\n1 16 4 9 16\ndirect\n-0.017758 0.017758 0.979792 Y\n0.700718 0.937441 0.015793 H\n0.062559 0.299282 0.015793 H\n0.896147 0.031604 0.509226 H\n0.968396 0.103853 0.509226 H\n0.547285 0.330079 0.750888 H\n0.576408 0.648326 0.280645 H\n0.351674 0.423592 0.280645 H\n0.669921 0.452715 0.750888 H\n0.297426 0.339177 0.179247 H\n0.169614 0.614601 0.969189 H\n0.385399 0.830386 0.969189 H\n0.033323 0.745049 0.735112 H\n0.254951 -0.033322 0.735112 H\n0.713069 0.474594 -0.016927 H\n0.525406 0.286931 -0.016927 H\n0.660824 0.702574 0.179247 H\n0.122414 0.137699 0.309740 C\n0.862301 0.877586 0.309740 C\n0.291778 0.141948 0.465673 C\n0.858052 0.708222 0.465673 C\n0.408346 0.117136 0.627760 N\n0.415847 0.584153 0.388577 N\n0.882865 0.591655 0.627760 N\n0.922350 0.769544 0.500555 N\n0.768007 0.870394 0.171237 N\n0.763364 0.763987 0.270796 N\n0.236013 0.236637 0.270796 N\n0.129606 0.231994 0.171237 N\n0.230457 0.077650 0.500555 N\n0.085966 0.743698 0.869863 O\n0.256302 0.914034 0.869863 O\n0.920075 0.079925 0.608962 O\n0.336707 0.663293 0.193597 O\n0.768907 0.368557 0.884873 O\n0.631443 0.231093 0.884873 O\n0.509517 0.595080 0.484070 O\n0.989391 0.526261 0.803120 O\n0.473739 0.010610 0.803120 O\n0.797774 0.562585 0.584750 O\n0.437416 0.202227 0.584750 O\n0.883452 0.972636 0.266540 O\n0.027364 0.116548 0.266540 O\n0.331334 0.396868 0.143485 O\n0.404920 0.490483 0.484070 O\n0.603132 0.668666 0.143485 O\n",
"nsites": 46,
"nelements": 5,
"elements": [
"Y",
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O-Y",
"density": 2.1143118839855215,
"density_atomic": 0.10945142396992981,
"volume": 420.2777664421966,
"volume_molar": 5.5021127561158965,
"formula_full": "Y1 H16 C4 N9 O16",
"formula_reduced": "YH16C4N9O16",
"formula_anonymous": "AB4C9D16E16",
"energy_above_hull": 4.318576319565218,
"spacegroup": 8
},
{
"id": "jvasp-38604",
"created_at": "2022-09-04T14:37:44.472062Z",
"updated_at": "2022-09-04T14:37:44.472083Z",
"structure_string": "K3 Ag1\n1.0\n5.612954 0.000000 -0.000000\n0.000000 5.612954 -0.000000\n0.000000 0.000000 5.612954\nK Ag\n3 1\ndirect\n0.500000 0.500000 0.000000 K\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Ag"
],
"chemical_system": "Ag-K",
"density": 2.114325597162536,
"density_atomic": 0.02261963236957391,
"volume": 176.83753363650925,
"volume_molar": 26.623512980257335,
"formula_full": "K3 Ag1",
"formula_reduced": "K3Ag",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-102866",
"created_at": "2022-09-04T14:36:40.493630Z",
"updated_at": "2022-09-04T14:36:40.493650Z",
"structure_string": "Na3 Al1 Cl6\n1.0\n6.060918 0.000000 3.499272\n2.020306 5.714288 3.499272\n0.000000 0.000000 6.998544\nNa Al Cl\n3 1 6\ndirect\n0.750001 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.499999 Na\n0.000000 0.000000 0.000000 Al\n0.765706 0.234295 0.234294 Cl\n0.234295 0.234295 0.765705 Cl\n0.234295 0.765706 0.765704 Cl\n0.234295 0.765706 0.234294 Cl\n0.765706 0.234295 0.765704 Cl\n0.765706 0.765706 0.234293 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"Al",
"Cl"
],
"chemical_system": "Al-Cl-Na",
"density": 2.1146264767963183,
"density_atomic": 0.04125644181252508,
"volume": 242.38639011675724,
"volume_molar": 14.596849595913849,
"formula_full": "Na3 Al1 Cl6",
"formula_reduced": "Na3AlCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-116926",
"created_at": "2022-09-04T14:38:47.575827Z",
"updated_at": "2022-09-04T14:38:47.575857Z",
"structure_string": "Na6 N6 O9\n1.0\n6.060567 -0.010889 1.799734\n4.557541 3.994923 1.799734\n-0.324936 -0.121920 11.734741\nNa N O\n6 6 9\ndirect\n0.934151 0.723742 0.597427 Na\n0.657925 0.298603 0.781682 Na\n0.269098 0.047585 0.927433 Na\n0.952416 0.730901 0.072567 Na\n0.701397 0.342074 0.218317 Na\n0.276257 0.065849 0.402572 Na\n0.740204 0.259796 0.500000 N\n0.034762 0.634566 0.339301 N\n0.419269 0.961168 0.185069 N\n0.737447 0.262553 -0.000000 N\n0.365434 0.965237 0.660699 N\n0.038831 0.580731 0.814930 N\n0.523497 0.358441 0.588369 O\n0.280115 0.888095 0.758361 O\n0.123405 0.225652 0.601207 O\n0.440944 0.559056 -0.000000 O\n0.801901 0.808063 0.884504 O\n0.111905 0.719884 0.241638 O\n0.774349 0.876594 0.398793 O\n0.191936 0.198099 0.115495 O\n0.641559 0.476503 0.411630 O\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Na",
"N",
"O"
],
"chemical_system": "N-Na-O",
"density": 2.1147380493323564,
"density_atomic": 0.0730764156383476,
"volume": 287.37041652300246,
"volume_molar": 8.240881421720717,
"formula_full": "Na6 N6 O9",
"formula_reduced": "Na2N2O3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 2.5267335714285712,
"spacegroup": 5
},
{
"id": "jvasp-117698",
"created_at": "2022-09-04T14:38:53.625097Z",
"updated_at": "2022-09-04T14:38:53.625125Z",
"structure_string": "Be1 S2\n1.0\n3.526341 -0.573599 -0.168301\n1.248222 -5.196625 0.166486\n0.511514 -3.966576 -3.108439\nBe S\n1 2\ndirect\n0.006443 0.934110 0.964963 Be\n0.908015 0.375889 0.333119 S\n0.451795 0.840750 0.248568 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Be",
"S"
],
"chemical_system": "Be-S",
"density": 2.115853363786273,
"density_atomic": 0.05226245556350962,
"volume": 57.40258408551783,
"volume_molar": 11.522881378357477,
"formula_full": "Be1 S2",
"formula_reduced": "BeS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4749687000000002,
"spacegroup": 5
},
{
"id": "jvasp-65189",
"created_at": "2022-09-04T14:35:47.002704Z",
"updated_at": "2022-09-04T14:35:47.002725Z",
"structure_string": "Be1 Si1 Cl4\n1.0\n-0.000000 4.125150 4.125150\n4.125150 0.000000 4.125150\n4.125150 4.125150 0.000000\nBe Si Cl\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Si\n0.123472 0.625510 0.625510 Cl\n0.625510 0.625510 0.625510 Cl\n0.625510 0.123472 0.625510 Cl\n0.625510 0.625510 0.123472 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Si",
"Cl"
],
"chemical_system": "Be-Cl-Si",
"density": 2.1160879309297393,
"density_atomic": 0.042736801862964205,
"volume": 140.3942208693817,
"volume_molar": 14.09122933276577,
"formula_full": "Be1 Si1 Cl4",
"formula_reduced": "BeSiCl4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.153471828333333,
"spacegroup": 216
},
{
"id": "jvasp-20839",
"created_at": "2022-09-04T14:38:34.920329Z",
"updated_at": "2022-09-04T14:38:34.920356Z",
"structure_string": "Li4 C2 O6\n1.0\n4.556439 0.001817 1.749069\n1.819666 4.177315 1.749069\n0.024026 0.015747 6.106865\nLi C O\n4 2 6\ndirect\n0.639862 0.751450 0.167229 Li\n0.248551 0.360139 0.332771 Li\n0.360140 0.248551 0.832771 Li\n0.751451 0.639861 0.667229 Li\n0.068757 0.931244 0.750000 C\n0.931245 0.068756 0.250000 C\n0.325753 0.674248 0.750000 O\n0.674249 0.325752 0.250000 O\n0.084553 0.209341 0.688816 O\n0.790661 0.915448 0.811184 O\n0.915449 0.790659 0.311184 O\n0.209341 0.084552 0.188816 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"C",
"O"
],
"chemical_system": "C-Li-O",
"density": 2.1161322417416666,
"density_atomic": 0.10347942356322577,
"volume": 115.965083557583,
"volume_molar": 5.819650470241053,
"formula_full": "Li4 C2 O6",
"formula_reduced": "Li2CO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.37064675,
"spacegroup": 15
}
]
}