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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=3504",
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"results": [
{
"id": "jvasp-58885",
"created_at": "2022-09-04T14:37:02.502467Z",
"updated_at": "2022-09-04T14:37:02.502488Z",
"structure_string": "Si4 H12 I4\n1.0\n0.000000 4.512711 -0.072827\n8.335815 0.000000 0.000000\n0.000000 -2.392822 -10.213925\nSi H I\n4 12 4\ndirect\n0.558681 0.928522 0.290823 Si\n0.441319 0.428521 0.209177 Si\n0.441319 0.071479 0.709177 Si\n0.558681 0.571479 0.790823 Si\n0.778817 0.013691 0.227206 H\n0.221183 0.513691 0.272794 H\n0.221183 0.986310 0.772794 H\n0.778817 0.486310 0.727206 H\n0.411730 0.462391 0.871333 H\n0.588270 0.962391 0.628667 H\n0.588270 0.537609 0.128667 H\n0.411730 0.037609 0.371333 H\n0.333830 0.667523 0.696857 H\n0.666171 0.167523 0.803143 H\n0.666171 0.332477 0.303143 H\n0.333829 0.832477 0.196857 H\n0.863748 0.730207 0.443318 I\n0.136252 0.230206 0.056682 I\n0.136252 0.269794 0.556682 I\n0.863748 0.769794 0.943318 I\n",
"nsites": 20,
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"elements": [
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"density_atomic": 0.051857658002635296,
"volume": 385.67109989779414,
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"formula_full": "Si4 H12 I4",
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"spacegroup": 14
},
{
"id": "jvasp-5281",
"created_at": "2022-09-04T14:35:42.952146Z",
"updated_at": "2022-09-04T14:35:42.952162Z",
"structure_string": "Si4 H16\n1.0\n0.000000 7.393492 0.065426\n4.740377 0.000000 0.000000\n0.000000 -1.824042 -7.267587\nSi H\n4 16\ndirect\n0.248508 0.063323 0.846100 Si\n0.751492 0.563323 0.653900 Si\n0.751492 0.936678 0.153899 Si\n0.248508 0.436677 0.346100 Si\n0.589230 0.089986 0.193884 H\n0.410769 0.589986 0.306116 H\n0.300602 0.365469 0.888371 H\n0.699399 0.865469 0.611630 H\n0.699398 0.634532 0.111629 H\n0.300601 0.134532 0.388370 H\n0.085285 0.046200 0.681317 H\n0.914715 0.953800 0.318683 H\n0.589231 0.410015 0.693884 H\n0.085285 0.453800 0.181317 H\n0.198136 0.568988 0.508162 H\n0.801864 0.068987 0.991838 H\n0.801864 0.431013 0.491838 H\n0.198136 0.931013 0.008162 H\n0.914715 0.546201 0.818683 H\n0.410770 0.910015 0.806116 H\n",
"nsites": 20,
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"elements": [
"Si",
"H"
],
"chemical_system": "H-Si",
"density": 0.8393836025485371,
"density_atomic": 0.07869423182316994,
"volume": 254.14823344284048,
"volume_molar": 7.652582178490624,
"formula_full": "Si4 H16",
"formula_reduced": "SiH4",
"formula_anonymous": "AB4",
"energy_above_hull": 2.85785172,
"spacegroup": 14
},
{
"id": "jvasp-33064",
"created_at": "2022-09-04T14:37:05.281564Z",
"updated_at": "2022-09-04T14:37:05.281591Z",
"structure_string": "Si2 H12 N4 F8\n1.0\n4.968381 0.000000 -0.533674\n0.000000 7.159268 0.000000\n-0.349797 0.000000 6.546509\nSi H N F\n2 12 4 8\ndirect\n-0.000000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.229830 0.830011 0.310025 H\n0.770170 0.169990 0.689976 H\n0.229829 0.669990 0.810025 H\n0.208677 0.060415 0.357381 H\n0.791323 0.560415 0.142620 H\n0.770170 0.330011 0.189976 H\n0.208677 0.439585 0.857381 H\n0.443516 0.980690 0.223293 H\n0.556484 0.480690 0.276707 H\n0.556484 0.019310 0.776707 H\n0.443515 0.519311 0.723293 H\n0.791322 0.939585 0.642620 H\n0.246967 0.962117 0.250268 N\n0.753033 0.462117 0.249733 N\n0.246966 0.537884 0.750268 N\n0.753032 0.037884 0.749733 N\n0.243854 0.571122 0.358610 F\n0.113921 0.274797 0.497534 F\n0.886079 0.774798 0.002466 F\n0.886079 0.725203 0.502466 F\n0.113920 0.225203 0.997534 F\n0.756145 0.428878 0.641391 F\n0.243854 0.928878 0.858610 F\n0.756145 0.071122 0.141391 F\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Si",
"H",
"N",
"F"
],
"chemical_system": "F-H-N-Si",
"density": 1.9815522087065098,
"density_atomic": 0.11230002220408981,
"volume": 231.52266125779195,
"volume_molar": 5.362546366247008,
"formula_full": "Si2 H12 N4 F8",
"formula_reduced": "SiH6(NF2)2",
"formula_anonymous": "AB2C4D6",
"energy_above_hull": 2.554826633076923,
"spacegroup": 14
},
{
"id": "jvasp-33859",
"created_at": "2022-09-04T14:38:06.440025Z",
"updated_at": "2022-09-04T14:38:06.440067Z",
"structure_string": "Si1 H8\n1.0\n-2.700656 2.700656 3.729819\n2.700656 -2.700656 3.729819\n2.700656 2.700656 -3.729819\nSi H\n1 8\ndirect\n0.000000 0.000000 0.000000 Si\n0.449594 0.449594 0.000000 H\n0.550405 0.550405 0.000000 H\n0.699566 0.199563 0.500003 H\n0.800440 0.300437 0.500003 H\n0.115654 0.341996 0.226343 H\n0.115654 0.889315 0.773661 H\n0.658005 0.884348 0.773661 H\n0.110688 0.884348 0.226345 H\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Si",
"H"
],
"chemical_system": "H-Si",
"density": 0.5516445597979189,
"density_atomic": 0.08270965771037252,
"volume": 108.81437850360395,
"volume_molar": 7.281061156229123,
"formula_full": "Si1 H8",
"formula_reduced": "SiH8",
"formula_anonymous": "AB8",
"energy_above_hull": 3.1168065111111107,
"spacegroup": 119
},
{
"id": "jvasp-96812",
"created_at": "2022-09-04T14:36:13.462854Z",
"updated_at": "2022-09-04T14:36:13.462881Z",
"structure_string": "Si2 H16 C4 N2 Cl2 O2\n1.0\n5.465383 0.041546 -1.201994\n-0.784684 6.181577 -1.226413\n-0.032327 0.025497 8.628556\nSi H C N Cl O\n2 16 4 2 2 2\ndirect\n0.941045 0.296699 0.677645 Si\n0.058955 0.703302 0.322357 Si\n0.183473 0.848419 0.480203 H\n0.777419 0.434051 0.986088 H\n0.538102 0.091743 0.254275 H\n0.715013 0.842650 0.657943 H\n0.284987 0.157352 0.342058 H\n0.792495 0.192534 0.068110 H\n0.222581 0.565950 0.013913 H\n0.152344 0.494332 0.275189 H\n0.207505 0.807468 0.931891 H\n0.265226 0.164310 0.131485 H\n0.506674 0.246989 0.947467 H\n0.816527 0.151582 0.519799 H\n0.734774 0.835691 0.868516 H\n0.847656 0.505670 0.724813 H\n0.461898 0.908259 0.745727 H\n0.493326 0.753012 0.052534 H\n0.291812 0.737810 0.035735 C\n0.708188 0.262192 0.964267 C\n0.335715 0.081396 0.230456 C\n0.664285 0.918605 0.769545 C\n0.239560 0.852982 0.185695 N\n0.760440 0.147019 0.814306 N\n0.288797 0.404912 0.636207 Cl\n0.711203 0.595090 0.363794 Cl\n0.036295 0.168885 0.832508 O\n0.963705 0.831116 0.167494 O\n",
"nsites": 28,
"nelements": 6,
"elements": [
"Si",
"H",
"C",
"N",
"Cl",
"O"
],
"chemical_system": "C-Cl-H-N-O-Si",
"density": 1.4300749956213086,
"density_atomic": 0.09597233272522009,
"volume": 291.7507494599224,
"volume_molar": 6.274871714582667,
"formula_full": "Si2 H16 C4 N2 Cl2 O2",
"formula_reduced": "SiH8C2NClO",
"formula_anonymous": "ABCDE2F8",
"energy_above_hull": 3.814080672678572,
"spacegroup": 2
},
{
"id": "jvasp-120138",
"created_at": "2022-09-04T14:38:52.338917Z",
"updated_at": "2022-09-04T14:38:52.338935Z",
"structure_string": "Si1 H1 F1\n1.0\n2.432657 0.033314 0.000000\n-0.213504 6.869172 0.000000\n0.000000 0.000000 2.517491\nSi H F\n1 1 1\ndirect\n-0.116956 0.399791 0.000000 Si\n0.314420 -0.081550 0.000000 H\n-0.076276 -0.111899 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Si",
"H",
"F"
],
"chemical_system": "F-H-Si",
"density": 1.8975031599289023,
"density_atomic": 0.07128255249895836,
"volume": 42.08603500897135,
"volume_molar": 8.448267561810447,
"formula_full": "Si1 H1 F1",
"formula_reduced": "SiHF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.4338229608333333,
"spacegroup": 6
},
{
"id": "jvasp-119597",
"created_at": "2022-09-04T14:38:51.458982Z",
"updated_at": "2022-09-04T14:38:51.459011Z",
"structure_string": "Si2 Hg4 O4 F12\n1.0\n7.374745 0.000000 0.000000\n-0.000000 4.370241 2.328751\n-0.000000 0.549107 9.199310\nSi Hg O F\n2 4 4 12\ndirect\n0.000000 0.000000 0.500000 Si\n0.500000 -0.000000 -0.000000 Si\n0.498565 0.812052 0.687110 Hg\n-0.001434 0.187949 0.812890 Hg\n0.501434 0.187948 0.312890 Hg\n0.001434 0.812052 0.187110 Hg\n0.056341 0.603850 -0.000644 O\n0.556341 0.396150 0.500644 O\n0.943658 0.396150 0.000644 O\n0.443659 0.603850 0.499356 O\n0.355943 0.030803 0.844237 F\n0.855943 0.969198 0.655763 F\n0.360690 0.715676 0.155121 F\n0.860690 0.284324 0.344879 F\n0.639309 0.284324 0.844879 F\n0.622335 0.716284 0.993234 F\n0.877664 0.716284 0.493234 F\n0.377664 0.283716 0.006766 F\n0.122335 0.283717 0.506766 F\n0.144056 0.030803 0.344237 F\n0.139310 0.715677 0.655120 F\n0.644056 0.969197 0.155763 F\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Si",
"Hg",
"O",
"F"
],
"chemical_system": "F-Hg-O-Si",
"density": 6.6553298804743966,
"density_atomic": 0.07663955674356418,
"volume": 287.0580276659475,
"volume_molar": 7.857744767692319,
"formula_full": "Si2 Hg4 O4 F12",
"formula_reduced": "SiHg2(OF3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 0.2408805904545455,
"spacegroup": 14
},
{
"id": "jvasp-37274",
"created_at": "2022-09-04T14:38:06.583133Z",
"updated_at": "2022-09-04T14:38:06.583156Z",
"structure_string": "Si2 Hg6\n1.0\n3.798450 -6.579107 0.000000\n3.798450 6.579107 -0.000000\n-0.000000 0.000000 3.958881\nSi Hg\n2 6\ndirect\n0.333333 0.666667 0.250000 Si\n0.666667 0.333333 0.750000 Si\n0.644525 0.822263 0.750000 Hg\n0.177737 0.355475 0.750000 Hg\n0.177737 0.822263 0.750000 Hg\n0.355475 0.177737 0.250000 Hg\n0.822263 0.644525 0.250000 Hg\n0.822263 0.177737 0.250000 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Si",
"Hg"
],
"chemical_system": "Hg-Si",
"density": 10.571684955095456,
"density_atomic": 0.040430971797156705,
"volume": 197.86811061916146,
"volume_molar": 14.894870175798012,
"formula_full": "Si2 Hg6",
"formula_reduced": "SiHg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-37246",
"created_at": "2022-09-04T14:38:03.135107Z",
"updated_at": "2022-09-04T14:38:03.135134Z",
"structure_string": "Si1 Hg3\n1.0\n-2.082838 2.082838 5.462757\n2.082838 -2.082838 5.462757\n2.082838 2.082838 -5.462757\nSi Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Si\n0.750001 0.250000 0.500000 Hg\n0.250000 0.750001 0.500000 Hg\n0.500001 0.500001 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Si",
"Hg"
],
"chemical_system": "Hg-Si",
"density": 11.03334415416493,
"density_atomic": 0.04219656830677264,
"volume": 94.79443851736141,
"volume_molar": 14.271636300417903,
"formula_full": "Si1 Hg3",
"formula_reduced": "SiHg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.004995,
"spacegroup": 139
},
{
"id": "jvasp-91432",
"created_at": "2022-09-04T14:36:15.912183Z",
"updated_at": "2022-09-04T14:36:15.912198Z",
"structure_string": "Si1 Hg3 S2 F6\n1.0\n7.369246 -0.000000 -0.000000\n-3.684622 6.381954 0.000000\n-0.000000 0.000000 4.566120\nSi Hg S F\n1 3 2 6\ndirect\n0.000000 0.000000 0.500000 Si\n0.500000 0.000000 0.000000 Hg\n-0.000000 0.500000 0.000000 Hg\n0.500000 0.500000 0.000000 Hg\n0.333333 0.666667 0.237335 S\n0.666667 0.333333 0.762665 S\n0.110841 0.889159 0.285744 F\n0.889160 0.110840 0.714256 F\n0.110841 0.221682 0.285744 F\n0.889160 0.778317 0.714256 F\n0.221682 0.110840 0.714256 F\n0.778318 0.889159 0.285744 F\n",
"nsites": 12,
"nelements": 4,
"elements": [
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"Hg",
"S",
"F"
],
"chemical_system": "F-Hg-S-Si",
"density": 6.24774750960594,
"density_atomic": 0.05588010343581847,
"volume": 214.74548653587755,
"volume_molar": 10.776896229114495,
"formula_full": "Si1 Hg3 S2 F6",
"formula_reduced": "SiHg3(SF3)2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 0.0,
"spacegroup": 164
},
{
"id": "jvasp-36613",
"created_at": "2022-09-04T14:37:28.984217Z",
"updated_at": "2022-09-04T14:37:28.984241Z",
"structure_string": "Si1 Hg1 O3\n1.0\n3.660860 0.000000 -0.000000\n0.000000 3.660860 -0.000000\n0.000000 0.000000 3.660860\nSi Hg O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Si",
"Hg",
"O"
],
"chemical_system": "Hg-O-Si",
"density": 9.364133858943392,
"density_atomic": 0.1019109012051507,
"volume": 49.062464769444055,
"volume_molar": 5.909221377482661,
"formula_full": "Si1 Hg1 O3",
"formula_reduced": "SiHgO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.5643967399999996,
"spacegroup": 221
},
{
"id": "jvasp-91567",
"created_at": "2022-09-04T14:35:51.344199Z",
"updated_at": "2022-09-04T14:35:51.344228Z",
"structure_string": "Si2 Hg2 P4\n1.0\n5.708804 0.000000 0.000000\n-0.000000 5.708804 -0.000000\n-2.854402 -2.854402 5.341514\nSi Hg P\n2 2 4\ndirect\n0.749999 0.250000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n0.250000 0.749999 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.125000 0.580818 0.749999 P\n0.625000 0.169181 0.749999 P\n0.419181 0.375000 0.250000 P\n0.830818 0.874999 0.250000 P\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Si",
"Hg",
"P"
],
"chemical_system": "Hg-P-Si",
"density": 5.544398970353281,
"density_atomic": 0.0459552730283408,
"volume": 174.0823081404906,
"volume_molar": 13.104352043096602,
"formula_full": "Si2 Hg2 P4",
"formula_reduced": "SiHgP2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.85189105,
"spacegroup": 122
}
]
}