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=formula_full&page=1160",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=1158",
"results": [
{
"id": "jvasp-11384",
"created_at": "2022-09-04T14:37:10.927615Z",
"updated_at": "2022-09-04T14:37:10.927641Z",
"structure_string": "Cu4 Ge2 S6\n1.0\n6.450616 0.031214 1.035940\n1.617584 5.406402 3.215061\n0.031559 0.009430 6.528385\nCu Ge S\n4 2 6\ndirect\n0.139781 0.030798 0.168022 Cu\n0.140139 0.373206 0.496592 Cu\n0.639782 0.198820 0.831978 Cu\n0.640139 0.869797 0.503409 Cu\n0.121313 0.723458 0.824367 Ge\n0.621314 0.547824 0.175635 Ge\n0.512021 0.248922 0.496767 S\n0.012020 0.745688 0.503234 S\n0.513716 0.917164 0.169647 S\n0.013716 0.086811 0.830353 S\n0.008031 0.411534 0.166440 S\n0.508032 0.577973 0.833561 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Cu",
"Ge",
"S"
],
"chemical_system": "Cu-Ge-S",
"density": 4.32965366073032,
"density_atomic": 0.05286530217785699,
"volume": 226.99198728927885,
"volume_molar": 11.391480823734735,
"formula_full": "Cu4 Ge2 S6",
"formula_reduced": "Cu2GeS3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.979759475,
"spacegroup": 9
},
{
"id": "jvasp-40165",
"created_at": "2022-09-04T14:38:07.913981Z",
"updated_at": "2022-09-04T14:38:07.914003Z",
"structure_string": "Cu4 H12 N4 Cl4\n1.0\n-4.180805 4.180805 4.180805\n-4.180805 -4.180805 -4.180805\n4.180805 -4.180805 4.180805\nCu H N Cl\n4 12 4 4\ndirect\n0.000000 0.243549 0.000000 Cu\n0.499999 0.499999 0.243549 Cu\n0.756450 0.256450 0.256450 Cu\n0.743549 0.000000 0.499999 Cu\n0.134903 0.969470 0.988653 H\n0.646249 0.511345 0.980816 H\n0.488654 0.634903 0.969470 H\n0.853750 0.834568 0.865095 H\n0.019183 0.530528 0.665431 H\n0.365096 0.353750 0.834568 H\n0.165431 0.519182 0.530528 H\n0.030529 0.665431 0.519182 H\n0.480816 0.146249 0.511345 H\n0.334568 0.865095 0.353750 H\n0.011346 0.980816 0.146249 H\n0.469471 0.988653 0.634903 H\n0.499999 0.499999 0.980359 N\n0.000000 0.980359 0.000000 N\n0.480359 0.000000 0.499999 N\n0.019640 0.519639 0.519639 N\n0.499999 0.499999 0.536689 Cl\n0.000000 0.536689 0.000000 Cl\n0.036689 0.000000 0.499999 Cl\n0.463310 0.963310 0.963310 Cl\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Cu",
"H",
"N",
"Cl"
],
"chemical_system": "Cl-Cu-H-N",
"density": 2.6365612067643243,
"density_atomic": 0.08210536102352524,
"volume": 292.3073438910207,
"volume_molar": 7.3346498753893865,
"formula_full": "Cu4 H12 N4 Cl4",
"formula_reduced": "CuH3NCl",
"formula_anonymous": "ABCD3",
"energy_above_hull": 2.2448696279166667,
"spacegroup": 199
},
{
"id": "jvasp-98331",
"created_at": "2022-09-04T14:35:54.656425Z",
"updated_at": "2022-09-04T14:35:54.656444Z",
"structure_string": "Cu4 H16 Se4 O20\n1.0\n6.628037 0.000000 0.000000\n0.000000 9.157530 0.000000\n0.000000 0.000000 7.388302\nCu H Se O\n4 16 4 20\ndirect\n0.973061 0.349299 0.708741 Cu\n0.526940 0.650701 0.208741 Cu\n0.473061 0.150701 0.291259 Cu\n0.026940 0.849299 0.791259 Cu\n0.315811 0.071607 0.902631 H\n0.184189 0.928393 0.402631 H\n0.815812 0.428393 0.097369 H\n0.684189 0.571607 0.597369 H\n0.258206 0.098384 0.701674 H\n0.241795 0.901616 0.201675 H\n0.758206 0.401616 0.298325 H\n0.741795 0.598384 0.798325 H\n0.366845 0.305524 0.568066 H\n0.633156 0.805524 0.931934 H\n0.866845 0.194476 0.431934 H\n0.942236 0.792300 0.129904 H\n0.557765 0.207700 0.629904 H\n0.442235 0.707700 0.870095 H\n0.057765 0.292300 0.370096 H\n0.133156 0.694476 0.068066 H\n0.730143 0.888506 0.460516 Se\n0.769858 0.111494 0.960516 Se\n0.230143 0.611494 0.539484 Se\n0.269857 0.388506 0.039484 Se\n0.698790 0.432966 0.182149 O\n0.801211 0.567034 0.682149 O\n0.066800 0.793044 0.050057 O\n0.433200 0.206956 0.550057 O\n0.566800 0.706956 0.949942 O\n0.933201 0.293044 0.449942 O\n0.733620 0.060709 0.355743 O\n0.766381 0.939291 0.855743 O\n0.301210 0.932966 0.317851 O\n0.233620 0.439291 0.644256 O\n0.756769 0.777105 0.270005 O\n0.743232 0.222895 0.770005 O\n0.256769 0.722895 0.729994 O\n0.243231 0.277105 0.229994 O\n0.979653 0.889940 0.533954 O\n0.520348 0.110060 0.033954 O\n0.479652 0.610060 0.466045 O\n0.020348 0.389940 0.966045 O\n0.266381 0.560709 0.144256 O\n0.198790 0.067034 0.817851 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Cu",
"H",
"Se",
"O"
],
"chemical_system": "Cu-H-O-Se",
"density": 3.3553360737658715,
"density_atomic": 0.0981171134811159,
"volume": 448.4436857028866,
"volume_molar": 6.137706814172689,
"formula_full": "Cu4 H16 Se4 O20",
"formula_reduced": "CuH4SeO5",
"formula_anonymous": "ABC4D5",
"energy_above_hull": 2.482748301515151,
"spacegroup": 19
},
{
"id": "jvasp-29911",
"created_at": "2022-09-04T14:37:07.397019Z",
"updated_at": "2022-09-04T14:37:07.397049Z",
"structure_string": "Cu4 H4 Cl4 O4\n1.0\n5.406142 0.000000 -2.906539\n0.000000 6.737126 0.000000\n0.086899 0.000000 5.620414\nCu H Cl O\n4 4 4 4\ndirect\n0.030498 0.381824 0.777610 Cu\n0.969502 0.881824 0.722389 Cu\n0.969502 0.618177 0.222389 Cu\n0.030498 0.118177 0.277610 Cu\n0.702587 0.339719 0.941107 H\n0.297413 0.839720 0.558892 H\n0.297413 0.660281 0.058892 H\n0.702587 0.160281 0.441107 H\n0.322473 0.414630 0.636473 Cl\n0.677527 0.914630 0.863526 Cl\n0.677527 0.585371 0.363526 Cl\n0.322473 0.085371 0.136473 Cl\n0.884483 0.354320 0.038535 O\n0.115517 0.854320 0.461465 O\n0.115517 0.645680 0.961464 O\n0.884483 0.145680 0.538534 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Cu",
"H",
"Cl",
"O"
],
"chemical_system": "Cl-Cu-H-O",
"density": 3.7330620448650533,
"density_atomic": 0.07751653955382007,
"volume": 206.40756272267714,
"volume_molar": 7.768846229028067,
"formula_full": "Cu4 H4 Cl4 O4",
"formula_reduced": "CuHClO",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.978369504375,
"spacegroup": 14
},
{
"id": "jvasp-98419",
"created_at": "2022-09-04T14:35:57.778700Z",
"updated_at": "2022-09-04T14:35:57.778710Z",
"structure_string": "Cu4 H4 I4 O16\n1.0\n11.072143 0.000000 0.000000\n0.000000 6.725067 0.000000\n0.000000 -0.000000 4.534660\nCu H I O\n4 4 4 16\ndirect\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.493857 0.250000 0.912505 H\n-0.006143 0.250000 0.587495 H\n0.506143 0.750000 0.087495 H\n0.006143 0.750000 0.412505 H\n0.758335 0.750000 0.032751 I\n0.258335 0.750000 0.467249 I\n0.241665 0.250000 0.967249 I\n0.741665 0.250000 0.532751 I\n0.029944 0.250000 0.789757 O\n0.529944 0.250000 0.710243 O\n0.160610 0.047721 0.182477 O\n0.660610 0.452280 0.317523 O\n0.839390 0.547721 0.817523 O\n0.339390 0.952280 0.682477 O\n0.839390 0.952280 0.817523 O\n0.382509 0.250000 0.181134 O\n0.160610 0.452280 0.182477 O\n0.660610 0.047721 0.317523 O\n0.617491 0.750000 0.818866 O\n0.117491 0.750000 0.681134 O\n0.470056 0.750000 0.289757 O\n0.882509 0.250000 0.318866 O\n0.339390 0.547721 0.682477 O\n0.970056 0.750000 0.210243 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Cu",
"H",
"I",
"O"
],
"chemical_system": "Cu-H-I-O",
"density": 5.025186468716799,
"density_atomic": 0.08292490824241149,
"volume": 337.6548807042219,
"volume_molar": 7.262161499649402,
"formula_full": "Cu4 H4 I4 O16",
"formula_reduced": "CuHIO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.7826886750000002,
"spacegroup": 62
},
{
"id": "jvasp-12002",
"created_at": "2022-09-04T14:37:28.693442Z",
"updated_at": "2022-09-04T14:37:28.693471Z",
"structure_string": "Cu4 H4 O4 F4\n1.0\n5.086967 -0.058402 0.000000\n-2.150612 4.919429 0.000000\n0.000000 0.000000 6.411602\nCu H O F\n4 4 4 4\ndirect\n0.989656 0.758709 0.379423 Cu\n0.010345 0.741291 0.879423 Cu\n0.010345 0.241291 0.620576 Cu\n0.989656 0.258709 0.120576 Cu\n0.391363 0.752675 0.136267 H\n0.608638 0.747325 0.636267 H\n0.608638 0.247325 0.863733 H\n0.391363 0.252675 0.363733 H\n0.172618 0.164658 0.360808 O\n0.827383 0.335342 0.860808 O\n0.827383 0.835342 0.639191 O\n0.172618 0.664658 0.139192 O\n0.721203 0.369017 0.388464 F\n0.278797 0.130983 0.888464 F\n0.278798 0.630983 0.611535 F\n0.721204 0.869017 0.111535 F\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Cu",
"H",
"O",
"F"
],
"chemical_system": "Cu-F-H-O",
"density": 4.141932262915089,
"density_atomic": 0.10022245040619186,
"volume": 159.6448693396894,
"volume_molar": 6.008774217346361,
"formula_full": "Cu4 H4 O4 F4",
"formula_reduced": "CuHOF",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.8052010581250001,
"spacegroup": 14
},
{
"id": "jvasp-51685",
"created_at": "2022-09-04T14:37:27.048931Z",
"updated_at": "2022-09-04T14:37:27.048958Z",
"structure_string": "Cu4 H6 Cl2 O6\n1.0\n3.480119 2.009247 4.616139\n-3.480119 2.009247 4.616139\n-0.000000 -4.018494 4.616139\nCu H Cl O\n4 6 2 6\ndirect\n0.500001 0.500001 0.499999 Cu\n0.500000 0.500000 -0.000001 Cu\n0.500000 0.000000 0.499999 Cu\n0.000000 0.500000 0.499999 Cu\n0.821146 0.221268 0.221267 H\n0.221268 0.221268 0.821144 H\n0.221268 0.821146 0.221267 H\n0.778733 0.178855 0.778732 H\n0.778733 0.778733 0.178854 H\n0.178855 0.778733 0.778732 H\n0.820779 0.820779 0.820777 Cl\n0.179222 0.179222 0.179221 Cl\n0.267213 0.267213 0.640142 O\n0.359858 0.732788 0.732786 O\n0.732788 0.732788 0.359856 O\n0.732788 0.359858 0.732786 O\n0.640143 0.267213 0.267212 O\n0.267213 0.640143 0.267212 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Cu",
"H",
"Cl",
"O"
],
"chemical_system": "Cl-Cu-H-O",
"density": 3.6623152862847443,
"density_atomic": 0.09294262921407688,
"volume": 193.66785889540728,
"volume_molar": 6.479417260866448,
"formula_full": "Cu4 H6 Cl2 O6",
"formula_reduced": "Cu2H3ClO3",
"formula_anonymous": "AB2C3D3",
"energy_above_hull": 1.7770928297222224,
"spacegroup": 166
},
{
"id": "jvasp-29465",
"created_at": "2022-09-04T14:36:38.578298Z",
"updated_at": "2022-09-04T14:36:38.578323Z",
"structure_string": "Cu4 H6 Cl2 O6\n1.0\n5.766728 0.016922 0.000000\n-0.287365 5.679112 0.000000\n0.000000 0.000000 6.147312\nCu H Cl O\n4 6 2 6\ndirect\n0.995749 0.520617 0.750000 Cu\n0.500001 0.500000 0.000000 Cu\n0.500001 0.500000 0.500000 Cu\n0.004252 0.479383 0.250000 Cu\n0.799421 0.191628 0.534980 H\n0.200581 0.808371 0.465020 H\n0.799421 0.191628 0.965020 H\n0.452259 0.165003 0.750000 H\n0.200581 0.808371 0.034980 H\n0.547742 0.834997 0.250000 H\n0.279278 0.113569 0.250000 Cl\n0.720723 0.886430 0.750000 Cl\n0.189592 0.636152 0.005177 O\n0.810410 0.363848 0.505177 O\n0.611104 0.676277 0.250000 O\n0.388897 0.323722 0.750000 O\n0.189592 0.636152 0.494823 O\n0.810410 0.363848 0.994823 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Cu",
"H",
"Cl",
"O"
],
"chemical_system": "Cl-Cu-H-O",
"density": 3.5225214272169243,
"density_atomic": 0.08939492570029069,
"volume": 201.35371061605423,
"volume_molar": 6.7365577104343615,
"formula_full": "Cu4 H6 Cl2 O6",
"formula_reduced": "Cu2H3ClO3",
"formula_anonymous": "AB2C3D3",
"energy_above_hull": 1.7777917186111114,
"spacegroup": 11
},
{
"id": "jvasp-29951",
"created_at": "2022-09-04T14:38:31.511013Z",
"updated_at": "2022-09-04T14:38:31.511038Z",
"structure_string": "Cu4 Hg2 I8\n1.0\n8.346353 0.000000 0.000000\n-4.173177 4.026423 0.000000\n0.000000 0.000000 15.757400\nCu Hg I\n4 2 8\ndirect\n0.500000 -0.000000 0.500000 Cu\n0.499999 0.500000 0.500000 Cu\n0.500000 -0.000000 0.000000 Cu\n-0.000000 0.500000 0.000000 Cu\n0.499999 0.500000 0.000000 Hg\n-0.000000 0.500000 0.500000 Hg\n0.230129 0.508428 0.124057 I\n0.278297 0.508428 0.624057 I\n0.278297 0.508428 0.375943 I\n0.230129 0.508428 0.875943 I\n0.769870 0.491571 0.124057 I\n0.721701 0.491571 0.375943 I\n0.721701 0.491571 0.624057 I\n0.769870 0.491571 0.875943 I\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cu",
"Hg",
"I"
],
"chemical_system": "Cu-Hg-I",
"density": 5.238667149944031,
"density_atomic": 0.026437922734835428,
"volume": 529.5423600566456,
"volume_molar": 22.7784187903123,
"formula_full": "Cu4 Hg2 I8",
"formula_reduced": "Cu2HgI4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0381514285714285,
"spacegroup": 66
},
{
"id": "jvasp-21439",
"created_at": "2022-09-04T14:37:05.755326Z",
"updated_at": "2022-09-04T14:37:05.755347Z",
"structure_string": "Cu4 Hg4 S2 F12\n1.0\n6.645107 -0.000000 3.836554\n2.215035 6.265067 3.836554\n-0.000000 -0.000000 7.673108\nCu Hg S F\n4 4 2 12\ndirect\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 -0.000000 Cu\n0.000000 0.500000 -0.000001 Cu\n0.500001 0.500000 0.499999 Hg\n0.000000 0.500000 0.500000 Hg\n0.500000 0.000000 0.500000 Hg\n0.500001 0.500000 -0.000001 Hg\n0.625001 0.625000 0.624999 S\n0.375000 0.375000 0.374999 S\n0.318183 0.318183 0.931817 F\n0.681818 0.068183 0.068182 F\n0.931818 0.318183 0.318182 F\n0.318183 0.931818 0.318182 F\n0.068183 0.681818 0.068182 F\n0.931818 0.931818 0.318181 F\n0.931818 0.318183 0.931816 F\n0.068183 0.681818 0.681817 F\n0.318183 0.931818 0.931816 F\n0.681818 0.068183 0.681817 F\n0.681818 0.681818 0.068181 F\n0.068183 0.068183 0.681817 F\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Cu",
"Hg",
"S",
"F"
],
"chemical_system": "Cu-F-Hg-S",
"density": 7.010530822787467,
"density_atomic": 0.06886898330488053,
"volume": 319.4471436090001,
"volume_molar": 8.744343928151514,
"formula_full": "Cu4 Hg4 S2 F12",
"formula_reduced": "Cu2Hg2SF6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 0.0,
"spacegroup": 227
},
{
"id": "jvasp-34458",
"created_at": "2022-09-04T14:37:16.007207Z",
"updated_at": "2022-09-04T14:37:16.007234Z",
"structure_string": "Cu4 Hg4 S4 Br4\n1.0\n4.099026 0.000000 0.000000\n0.000000 9.466352 -0.000000\n0.000000 -0.000000 10.105669\nCu Hg S Br\n4 4 4 4\ndirect\n0.000000 0.202209 0.075239 Cu\n0.000000 0.202209 0.424761 Cu\n0.000000 0.797790 0.575239 Cu\n0.000000 0.797790 0.924762 Cu\n0.500000 0.775198 0.250000 Hg\n0.500000 0.224801 0.750000 Hg\n0.500000 0.500000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n0.500000 0.243206 0.990430 S\n0.500000 0.243206 0.509570 S\n0.500000 0.756794 0.009570 S\n0.500000 0.756794 0.490430 S\n0.000000 0.550183 0.750000 Br\n0.000000 0.449817 0.250000 Br\n0.000000 0.976729 0.750000 Br\n0.000000 0.023271 0.250000 Br\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Cu",
"Hg",
"S",
"Br"
],
"chemical_system": "Br-Cu-Hg-S",
"density": 6.370738869160806,
"density_atomic": 0.04080295261009333,
"volume": 392.12848523227007,
"volume_molar": 14.759080837964449,
"formula_full": "Cu4 Hg4 S4 Br4",
"formula_reduced": "CuHgSBr",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.0,
"spacegroup": 51
},
{
"id": "jvasp-97402",
"created_at": "2022-09-04T14:36:20.145179Z",
"updated_at": "2022-09-04T14:36:20.145201Z",
"structure_string": "Cu4 Hg4 S4 I4\n1.0\n7.062357 0.000000 0.000000\n0.000000 7.182381 0.000000\n0.000000 0.000000 8.471726\nCu Hg S I\n4 4 4 4\ndirect\n0.293368 0.077102 0.357037 Cu\n0.793368 0.922898 0.642963 Cu\n0.793368 0.422898 0.857037 Cu\n0.293368 0.577102 0.142963 Cu\n0.189346 0.032831 0.946766 Hg\n0.689346 0.967169 0.053235 Hg\n0.689346 0.467169 0.446766 Hg\n0.189346 0.532831 0.553235 Hg\n0.875399 0.117521 0.841696 S\n0.375398 0.882479 0.158305 S\n0.375398 0.382479 0.341696 S\n0.875399 0.617521 0.658305 S\n0.408358 0.915633 0.624247 I\n0.908358 0.084367 0.375754 I\n0.908358 0.584367 0.124246 I\n0.408358 0.415633 0.875754 I\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Cu",
"Hg",
"S",
"I"
],
"chemical_system": "Cu-Hg-I-S",
"density": 6.539849007112141,
"density_atomic": 0.03723316674075217,
"volume": 429.7243936140355,
"volume_molar": 16.174129914683544,
"formula_full": "Cu4 Hg4 S4 I4",
"formula_reduced": "CuHgSI",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.0,
"spacegroup": 33
}
]
}