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=spacegroup&page=33",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=31",
"results": [
{
"id": "jvasp-103791",
"created_at": "2022-09-04T14:36:58.983588Z",
"updated_at": "2022-09-04T14:36:58.983607Z",
"structure_string": "H8 C6 S2 O2\n1.0\n4.692094 -0.084760 1.114895\n0.934464 5.437794 1.548088\n0.192656 -0.032521 6.999779\nH C S O\n8 6 2 2\ndirect\n0.354781 0.956668 0.850772 H\n0.570761 0.461517 0.689388 H\n0.487799 0.305526 0.946424 H\n0.430903 0.109097 0.591347 H\n0.354666 0.456649 0.350777 H\n0.570634 0.961498 0.189398 H\n0.487677 0.805509 0.446433 H\n0.430759 0.609091 0.091358 H\n0.862929 0.132351 0.768103 C\n0.862806 0.632337 0.268107 C\n0.359476 0.637016 0.246670 C\n0.561711 0.277932 0.790219 C\n0.359601 0.137033 0.746657 C\n0.561589 0.777914 0.290229 C\n0.935511 0.344156 0.249112 S\n0.935617 0.844155 0.749143 S\n0.062639 0.265700 0.768252 O\n0.062513 0.765673 0.268280 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.6427945763902037,
"density_atomic": 0.10103258777587025,
"volume": 178.16033812705098,
"volume_molar": 5.9605924113905315,
"formula_full": "H8 C6 S2 O2",
"formula_reduced": "H4C3SO",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 4.277704833333332,
"spacegroup": 1
},
{
"id": "jvasp-103846",
"created_at": "2022-09-04T14:36:59.005971Z",
"updated_at": "2022-09-04T14:36:59.005985Z",
"structure_string": "H5 C7 S1 N1 O1\n1.0\n4.812147 -0.131311 1.997918\n0.914586 4.756842 0.808700\n0.035565 0.165097 7.449648\nH C S N O\n5 7 1 1 1\ndirect\n0.545158 0.634868 0.651694 H\n0.552946 0.350654 0.231300 H\n0.367305 0.134838 0.579047 H\n0.734193 0.857497 0.307864 H\n0.970529 0.088929 0.855155 H\n0.232061 0.288442 0.515449 C\n0.334356 0.404474 0.326643 C\n0.937776 0.360460 0.640449 C\n0.152034 0.608095 0.244408 C\n0.764089 0.579716 0.558394 C\n0.866892 0.700237 0.371101 C\n0.222984 0.682276 0.030749 C\n0.382433 0.936316 0.059204 S\n0.824693 0.240963 0.818246 N\n0.159082 0.616671 0.905503 O\n",
"nsites": 15,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.4703701349584957,
"density_atomic": 0.08785330813443612,
"volume": 170.73915961191227,
"volume_molar": 6.854768349513618,
"formula_full": "H5 C7 S1 N1 O1",
"formula_reduced": "H5C7SNO",
"formula_anonymous": "ABCD5E7",
"energy_above_hull": 5.349849116666666,
"spacegroup": 1
},
{
"id": "jvasp-13350",
"created_at": "2022-09-04T14:36:59.044379Z",
"updated_at": "2022-09-04T14:36:59.044404Z",
"structure_string": "Ta1 Bi3 O7\n1.0\n3.792957 -0.071351 -0.001805\n1.800801 3.394067 -0.005129\n1.860240 1.070991 12.676049\nTa Bi O\n1 3 7\ndirect\n0.425414 0.540868 0.507324 Ta\n0.015655 0.937228 0.012960 Bi\n0.750309 0.714253 0.738715 Bi\n0.258361 0.190059 0.275202 Bi\n0.454529 0.370788 0.660847 O\n0.207496 0.118200 0.470404 O\n0.076145 0.992645 0.823275 O\n0.953335 0.875152 0.197480 O\n0.837186 0.739196 0.546413 O\n0.573518 0.504992 0.354764 O\n0.350774 0.277749 0.025242 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Ta",
"Bi",
"O"
],
"chemical_system": "Bi-O-Ta",
"density": 9.266370359760122,
"density_atomic": 0.06672979049949916,
"volume": 164.84391630275775,
"volume_molar": 9.024666067316963,
"formula_full": "Ta1 Bi3 O7",
"formula_reduced": "TaBi3O7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 2.7285096909090907,
"spacegroup": 1
},
{
"id": "jvasp-101968",
"created_at": "2022-09-04T14:36:59.181650Z",
"updated_at": "2022-09-04T14:36:59.181676Z",
"structure_string": "Cd1 H20 C12 O4\n1.0\n3.776491 0.025053 0.424300\n1.946874 4.207925 1.376745\n1.263730 0.386175 18.594038\nCd H C O\n1 20 12 4\ndirect\n0.578322 0.791255 0.155972 Cd\n0.095619 0.217191 0.493157 H\n0.351565 0.816253 0.416611 H\n0.185601 0.100647 0.971102 H\n0.678286 0.329160 0.840144 H\n0.157408 0.309541 0.821425 H\n0.608167 0.478004 0.700637 H\n0.060793 0.509307 0.674478 H\n0.494214 0.639703 0.558499 H\n-0.073055 0.703590 0.531750 H\n0.693100 0.176271 0.978156 H\n0.773796 0.894358 0.389781 H\n0.520314 0.761837 0.906518 H\n0.019340 0.688497 0.896340 H\n0.408227 0.911311 0.767999 H\n-0.115636 0.899113 0.748293 H\n0.252920 0.054453 0.631247 H\n0.697548 0.099943 0.606863 H\n0.929096 0.388917 0.352121 H\n0.329982 0.489526 0.331087 H\n0.523967 0.287039 0.467365 H\n0.849057 0.367517 0.048124 C\n0.891862 0.292755 0.973419 C\n0.815772 0.575747 0.901701 C\n0.851472 0.472199 0.830438 C\n0.715513 0.752517 0.758500 C\n0.749886 0.646081 0.687840 C\n0.460541 0.003588 0.405845 C\n0.613117 0.822393 0.546516 C\n0.410098 0.101782 0.478410 C\n0.247908 0.288964 0.339810 C\n0.307421 0.217824 0.264053 C\n0.566758 0.925313 0.618213 C\n0.732620 0.657918 0.047146 O\n0.223316 0.454100 0.202934 O\n0.433085 0.927282 0.264324 O\n0.930481 0.132717 0.109544 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 1.946306579781911,
"density_atomic": 0.12729082395956148,
"volume": 290.67295543435546,
"volume_molar": 4.731009331759178,
"formula_full": "Cd1 H20 C12 O4",
"formula_reduced": "CdH20(C3O)4",
"formula_anonymous": "AB4C12D20",
"energy_above_hull": 4.5955698310810815,
"spacegroup": 1
},
{
"id": "jvasp-103909",
"created_at": "2022-09-04T14:36:59.404452Z",
"updated_at": "2022-09-04T14:36:59.404462Z",
"structure_string": "Zn1 H6 C5 O4\n1.0\n3.843174 0.252421 0.097928\n1.229012 4.364785 0.373578\n-0.705440 0.145444 8.480967\nZn H C O\n1 6 5 4\ndirect\n0.833778 0.840366 0.757269 Zn\n-0.099136 0.486251 0.375732 H\n0.357707 0.464774 0.431433 H\n0.154544 0.019022 0.216905 H\n0.006786 0.582719 0.093543 H\n0.608438 0.004910 0.273419 H\n0.465973 0.548147 0.138935 H\n0.214819 0.100660 0.541174 C\n0.186877 0.324030 0.396777 C\n0.321350 0.163609 0.248865 C\n0.287268 0.409884 0.111326 C\n0.394151 0.291805 0.953713 C\n-0.044982 0.174673 0.631933 O\n0.500497 0.850966 0.568060 O\n0.617525 0.010525 0.952799 O\n0.279147 0.476179 0.827048 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 2.3242663654717752,
"density_atomic": 0.11454940226052814,
"volume": 139.67772580436537,
"volume_molar": 5.257243286441078,
"formula_full": "Zn1 H6 C5 O4",
"formula_reduced": "ZnH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.145718399999999,
"spacegroup": 1
},
{
"id": "jvasp-101965",
"created_at": "2022-09-04T14:36:59.406905Z",
"updated_at": "2022-09-04T14:36:59.406931Z",
"structure_string": "Cd1 H18 C11 O4\n1.0\n4.076932 -0.062235 -0.245048\n-1.131116 4.152269 -0.270901\n-0.220572 -0.026474 15.629449\nCd H C O\n1 18 11 4\ndirect\n0.673604 0.245222 0.146969 Cd\n0.694081 0.901790 0.544742 H\n0.557574 0.042704 0.407184 H\n0.632517 0.862870 0.889798 H\n0.776797 0.832086 0.694337 H\n0.377126 0.780034 0.735292 H\n0.099974 0.699567 0.588233 H\n0.046041 0.334975 0.525236 H\n0.636704 0.540039 0.479941 H\n0.047435 0.937752 0.855712 H\n0.157808 0.491767 0.936269 H\n0.726583 0.375465 0.962123 H\n0.878862 0.380095 0.776225 H\n0.469510 0.307247 0.812691 H\n0.569362 0.264845 0.620796 H\n0.179687 0.213454 0.666598 H\n0.191499 0.364260 0.362569 H\n0.909343 0.593874 0.339660 H\n0.166918 0.975684 0.453123 H\n0.040242 0.816483 0.029635 C\n0.938173 0.581749 0.949865 C\n0.828106 0.744670 0.871999 C\n0.684617 0.500378 0.794044 C\n0.560250 0.648808 0.715845 C\n0.351203 0.853962 0.430071 C\n0.238638 0.531987 0.564062 C\n0.500193 0.707177 0.505575 C\n0.182792 0.611804 0.352237 C\n0.338606 0.691889 0.267685 C\n0.387930 0.395337 0.641456 C\n0.301982 0.057589 0.028706 O\n0.242601 0.473049 0.203546 O\n0.558254 0.960631 0.264265 O\n0.854486 0.772336 0.093284 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.060824388255375,
"density_atomic": 0.12917027651644744,
"volume": 263.2184502265947,
"volume_molar": 4.662172229098845,
"formula_full": "Cd1 H18 C11 O4",
"formula_reduced": "CdH18C11O4",
"formula_anonymous": "AB4C11D18",
"energy_above_hull": 4.563925110294118,
"spacegroup": 1
},
{
"id": "jvasp-103901",
"created_at": "2022-09-04T14:37:00.346578Z",
"updated_at": "2022-09-04T14:37:00.346603Z",
"structure_string": "Al1 H6 C5 Cl1 O4\n1.0\n5.118396 0.046620 1.105424\n-0.075029 5.295854 2.726600\n-0.085888 -0.227230 6.285874\nAl H C Cl O\n1 6 5 1 4\ndirect\n0.238677 0.900178 0.529172 Al\n0.750984 0.557572 0.502027 H\n0.803664 0.283918 0.456094 H\n0.119549 0.551619 0.060661 H\n0.970441 0.812529 0.103490 H\n0.525580 0.612411 0.153305 H\n0.703126 0.399435 0.055950 H\n0.891279 0.460197 0.416338 C\n0.941804 0.617482 0.142988 C\n0.140379 0.408731 0.515021 C\n0.692299 0.760790 0.792124 C\n0.708681 0.589109 0.045147 C\n0.351882 0.071631 0.141215 Cl\n0.257742 0.200241 0.558727 O\n0.472537 0.778966 0.730055 O\n0.889809 0.878159 0.643055 O\n0.244466 0.574453 0.547504 O\n",
"nsites": 17,
"nelements": 5,
"elements": [
"Al",
"H",
"C",
"Cl",
"O"
],
"chemical_system": "Al-C-Cl-H-O",
"density": 1.836452565961429,
"density_atomic": 0.09765033395986718,
"volume": 174.09054644899365,
"volume_molar": 6.167045739418575,
"formula_full": "Al1 H6 C5 Cl1 O4",
"formula_reduced": "AlH6C5ClO4",
"formula_anonymous": "ABC4D5E6",
"energy_above_hull": 4.151648874558823,
"spacegroup": 1
},
{
"id": "jvasp-13359",
"created_at": "2022-09-04T14:37:00.361272Z",
"updated_at": "2022-09-04T14:37:00.361304Z",
"structure_string": "Na4 S2 O5\n1.0\n5.338137 -0.062221 -0.457366\n-2.473072 -4.673557 0.243670\n-0.009074 0.092348 -6.082158\nNa S O\n4 2 5\ndirect\n0.659673 0.325854 0.365579 Na\n0.016444 -0.000237 0.030158 Na\n0.010485 -0.002231 0.535834 Na\n0.348805 0.660740 0.698245 Na\n0.686838 0.313782 0.858215 S\n0.357258 0.662046 0.196698 S\n0.395926 0.217143 0.740431 O\n0.892855 0.624346 0.764538 O\n0.259388 0.885949 0.260984 O\n0.133076 0.385663 0.303873 O\n0.619258 0.753941 0.331449 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Na",
"S",
"O"
],
"chemical_system": "Na-O-S",
"density": 2.567692799251988,
"density_atomic": 0.07204706192529806,
"volume": 152.6779816698888,
"volume_molar": 8.358620877897911,
"formula_full": "Na4 S2 O5",
"formula_reduced": "Na4S2O5",
"formula_anonymous": "A2B4C5",
"energy_above_hull": 1.2838821363636366,
"spacegroup": 1
},
{
"id": "jvasp-104126",
"created_at": "2022-09-04T14:36:59.599887Z",
"updated_at": "2022-09-04T14:36:59.599902Z",
"structure_string": "H12 C18 S4 O2\n1.0\n5.668618 -0.018911 -0.347312\n-0.388196 8.199753 -2.473543\n-0.001626 -0.231132 8.533727\nH C S O\n12 18 4 2\ndirect\n0.863500 0.907872 0.609344 H\n0.562621 0.914163 0.434235 H\n0.430067 0.039261 0.325180 H\n0.083570 0.137551 0.778196 H\n0.081483 0.491224 0.689168 H\n0.336432 0.486045 0.949350 H\n0.943247 0.021281 0.890198 H\n0.341076 0.755085 0.200457 H\n0.607909 0.394811 0.348143 H\n0.851289 0.652789 0.339845 H\n0.565380 0.136757 0.078141 H\n0.039924 0.219745 0.433330 H\n0.485376 0.723447 0.120491 C\n0.598624 0.015357 0.383316 C\n0.700206 0.167106 0.513109 C\n0.737619 0.426132 0.756526 C\n0.691432 0.817802 0.138858 C\n0.685128 0.559846 0.898842 C\n0.930264 0.403378 0.661900 C\n0.908718 0.256400 0.523780 C\n0.483721 0.577432 0.983610 C\n0.211487 0.839324 0.676216 C\n0.208130 0.203171 0.034984 C\n0.247403 0.449094 0.290630 C\n0.199792 0.596789 0.419626 C\n0.448256 0.360423 0.265164 C\n0.425893 0.220903 0.119514 C\n0.005504 0.824591 0.578043 C\n0.000185 0.686314 0.432816 C\n0.113246 0.079946 0.876247 C\n0.402038 0.684033 0.591884 S\n0.027729 0.358031 0.133016 S\n0.884660 0.729877 -0.011689 S\n0.529725 0.260929 0.674923 S\n0.281737 0.953733 0.823650 O\n0.763980 0.962322 0.256850 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.6403905802061596,
"density_atomic": 0.09152873658232341,
"volume": 393.31909675843315,
"volume_molar": 6.579508234098179,
"formula_full": "H12 C18 S4 O2",
"formula_reduced": "H6C9S2O",
"formula_anonymous": "AB2C6D9",
"energy_above_hull": 5.303081305555556,
"spacegroup": 1
},
{
"id": "jvasp-103832",
"created_at": "2022-09-04T14:36:59.650698Z",
"updated_at": "2022-09-04T14:36:59.650721Z",
"structure_string": "H14 C18 S4 N2\n1.0\n5.757576 0.006454 -0.289023\n-0.221764 8.120325 -2.281689\n-0.019387 -0.122605 8.503883\nH C S N\n14 18 4 2\ndirect\n0.866602 0.891728 0.611611 H\n0.555417 0.928102 0.454733 H\n0.948948 0.018436 0.892298 H\n0.088349 0.128146 0.773185 H\n0.934309 0.966121 0.313043 H\n0.067438 0.499862 0.694735 H\n0.323794 0.511970 0.951228 H\n0.443082 0.057642 0.339078 H\n0.341673 0.774236 0.204727 H\n0.359802 0.891372 0.902493 H\n0.608760 0.386675 0.325171 H\n0.851401 0.646216 0.339716 H\n0.574643 0.133864 0.060436 H\n0.032822 0.235568 0.442910 H\n0.483005 0.739537 0.123202 C\n0.604424 0.026226 0.398281 C\n0.700591 0.176618 0.526539 C\n0.732236 0.432270 0.767136 C\n0.695773 0.822754 0.147836 C\n0.678269 0.567138 0.905717 C\n0.921942 0.411382 0.671153 C\n0.903154 0.266931 0.534569 C\n0.475102 0.595537 0.986533 C\n0.199187 0.583161 0.407145 C\n0.213088 0.193193 0.025835 C\n0.246692 0.437343 0.277962 C\n0.214417 0.818572 0.667880 C\n0.449832 0.351447 0.247347 C\n0.430740 0.213740 0.104082 C\n0.009467 0.809552 0.573263 C\n0.001812 0.676140 0.426956 C\n0.120276 0.068404 0.871906 C\n0.401898 0.662869 0.573356 S\n0.029415 0.344940 0.127884 S\n0.884219 0.726065 -0.002473 S\n0.533511 0.266841 0.690559 S\n0.283539 0.936348 0.813213 N\n0.766178 0.965726 0.268951 N\n",
"nsites": 38,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"N"
],
"chemical_system": "C-H-N-S",
"density": 1.6212975704464585,
"density_atomic": 0.09597564509115099,
"volume": 395.93378053265747,
"volume_molar": 6.274655152648976,
"formula_full": "H14 C18 S4 N2",
"formula_reduced": "H7C9S2N",
"formula_anonymous": "AB2C7D9",
"energy_above_hull": 5.395467539473684,
"spacegroup": 1
},
{
"id": "jvasp-103964",
"created_at": "2022-09-04T14:36:59.664637Z",
"updated_at": "2022-09-04T14:36:59.664672Z",
"structure_string": "Cd1 H6 C5 O4\n1.0\n4.066197 -0.096767 0.805809\n1.868403 4.145200 0.179873\n0.151667 -0.041712 8.550413\nCd H C O\n1 6 5 4\ndirect\n0.908491 0.082441 0.768088 Cd\n0.468148 0.709535 0.424053 H\n0.586876 0.340182 0.321686 H\n0.859469 0.890725 0.352138 H\n0.027550 0.105226 0.114645 H\n0.021910 0.544661 0.225417 H\n0.422505 0.992724 0.184300 H\n0.191301 0.427034 0.536183 C\n0.361639 0.546124 0.386625 C\n0.101757 0.715194 0.277464 C\n0.246821 0.895561 0.144172 C\n0.456279 0.709704 0.987279 C\n0.181555 0.527113 0.675264 O\n0.067255 0.215305 0.518795 O\n0.614996 0.408947 0.988214 O\n0.460444 0.872352 0.859340 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.7748604766200855,
"density_atomic": 0.11025107946817589,
"volume": 145.12329563737669,
"volume_molar": 5.4622057117711025,
"formula_full": "Cd1 H6 C5 O4",
"formula_reduced": "CdH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.122690859375,
"spacegroup": 1
},
{
"id": "jvasp-101929",
"created_at": "2022-09-04T14:36:59.692174Z",
"updated_at": "2022-09-04T14:36:59.692190Z",
"structure_string": "Mg2 H4 C6 O8\n1.0\n4.479431 0.005390 -1.469866\n-0.898322 5.739765 -1.211303\n-0.073454 -0.226381 6.948934\nMg H C O\n2 4 6 8\ndirect\n0.539692 0.493803 0.180762 Mg\n0.039691 -0.006199 0.180760 Mg\n0.451501 0.183643 0.673687 H\n0.951501 0.683650 0.673689 H\n0.625599 0.459766 0.701974 H\n0.125606 0.959770 0.701976 H\n0.167782 0.777214 0.685223 C\n0.667781 0.277211 0.685221 C\n0.412525 0.784411 0.890462 C\n0.209176 0.707957 0.473518 C\n0.709176 0.207956 0.473515 C\n0.912523 0.284410 0.890461 C\n0.470815 0.208733 0.314174 O\n0.956364 0.168527 0.452124 O\n0.456367 0.668532 0.452127 O\n0.827787 0.274887 0.047460 O\n0.689960 0.804500 0.908964 O\n0.189963 0.304508 0.908963 O\n0.327788 0.774893 0.047464 O\n0.970817 0.708729 0.314175 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mg",
"H",
"C",
"O"
],
"chemical_system": "C-H-Mg-O",
"density": 2.3767727503300184,
"density_atomic": 0.11328210809927476,
"volume": 176.5503867784046,
"volume_molar": 5.316056402059977,
"formula_full": "Mg2 H4 C6 O8",
"formula_reduced": "MgH2C3O4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 3.714590305,
"spacegroup": 1
}
]
}