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=nsites&page=4538",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=4536",
"results": [
{
"id": "jvasp-29330",
"created_at": "2022-09-04T14:37:00.100605Z",
"updated_at": "2022-09-04T14:37:00.100632Z",
"structure_string": "Al4 Si4 H8 O18\n1.0\n5.198445 0.000342 0.018229\n1.934542 7.122218 0.246957\n-0.001116 -0.004738 9.022439\nAl Si H O\n4 4 8 18\ndirect\n0.361796 0.539957 0.493498 Al\n0.355025 0.542381 0.829146 Al\n0.861770 0.539958 0.993498 Al\n0.855051 0.542380 0.329141 Al\n0.055673 0.930842 0.335810 Si\n0.069610 0.928996 0.664402 Si\n0.555616 0.930841 0.835810 Si\n0.569658 0.929001 0.164400 Si\n0.625248 0.281164 0.670505 H\n0.705331 0.694384 0.562496 H\n0.106807 0.286566 0.813527 H\n0.108859 0.282718 0.502358 H\n0.125272 0.281172 0.170503 H\n0.205287 0.694402 0.062485 H\n0.608821 0.282727 0.002373 H\n0.606849 0.286571 0.313522 H\n0.682222 0.703117 0.161233 O\n0.111267 0.704609 0.351574 O\n0.182210 0.703111 0.661228 O\n0.064510 0.025652 0.497176 O\n0.264019 0.001754 0.225745 O\n0.257295 0.025361 0.764918 O\n0.611227 0.704609 0.851580 O\n0.599614 0.407547 0.355618 O\n0.599376 0.412399 0.972306 O\n0.522297 0.412066 0.665618 O\n0.611584 0.694470 0.468626 O\n0.099585 0.407549 0.855612 O\n0.099416 0.412393 0.472295 O\n0.022301 0.412069 0.165610 O\n0.111548 0.694479 0.968616 O\n0.757371 0.025368 0.264891 O\n0.564509 0.025646 0.997170 O\n0.763945 0.001735 0.725718 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Al",
"Si",
"H",
"O"
],
"chemical_system": "Al-H-O-Si",
"density": 2.566587011701245,
"density_atomic": 0.10178086282854297,
"volume": 334.05100973918246,
"volume_molar": 5.916771181380846,
"formula_full": "Al4 Si4 H8 O18",
"formula_reduced": "Al2Si2H4O9",
"formula_anonymous": "A2B2C4D9",
"energy_above_hull": 2.927922605882353,
"spacegroup": 1
},
{
"id": "jvasp-103931",
"created_at": "2022-09-04T14:36:46.726764Z",
"updated_at": "2022-09-04T14:36:46.726784Z",
"structure_string": "Zn1 H18 C11 O4\n1.0\n3.954035 0.231494 0.187763\n1.496442 4.485093 0.217825\n-0.051332 -0.153297 15.538161\nZn H C O\n1 18 11 4\ndirect\n0.364480 0.077461 0.161838 Zn\n0.193128 0.773973 0.493602 H\n0.470479 0.310860 0.400061 H\n0.300924 0.164270 0.912772 H\n0.070491 0.218307 0.717195 H\n0.503528 0.179798 0.751719 H\n0.262850 0.262380 0.559138 H\n0.702214 0.212646 0.591811 H\n0.630042 0.726816 0.526786 H\n0.888217 0.169801 0.873298 H\n0.547186 0.653596 0.956929 H\n0.966695 0.636171 0.996599 H\n0.782778 0.689875 0.803819 H\n0.213316 0.660258 0.837637 H\n-0.002765 0.730606 0.649226 H\n0.435752 0.682700 0.681649 H\n0.371238 0.834448 0.338610 H\n0.795476 0.805939 0.373597 H\n0.907279 0.271891 0.432725 H\n0.793657 0.295685 0.048053 C\n0.822082 0.496986 0.972655 C\n0.027420 0.317497 0.894072 C\n0.056546 0.524341 0.818558 C\n0.232048 0.349385 0.737042 C\n0.631529 0.439087 0.421766 C\n0.431328 0.387078 0.579178 C\n0.465082 0.600178 0.505852 C\n0.644900 0.668624 0.351347 C\n0.829241 0.540665 0.266325 C\n0.267993 0.556468 0.662256 C\n0.065956 0.051119 0.065205 O\n0.765413 0.708158 0.198437 O\n0.062885 0.266660 0.266262 O\n0.496554 0.379699 0.092338 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 1.7180594940634635,
"density_atomic": 0.12578430456380332,
"volume": 270.3039947464487,
"volume_molar": 4.787672659862985,
"formula_full": "Zn1 H18 C11 O4",
"formula_reduced": "ZnH18C11O4",
"formula_anonymous": "AB4C11D18",
"energy_above_hull": 4.575634835294118,
"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-20215",
"created_at": "2022-09-04T14:38:34.468069Z",
"updated_at": "2022-09-04T14:38:34.468088Z",
"structure_string": "Sr6 P28\n1.0\n0.000000 6.376395 -0.011153\n12.764134 0.000000 0.000000\n0.000000 -6.347998 -9.745032\nSr P\n6 28\ndirect\n-0.000000 0.000000 0.500000 Sr\n0.000000 0.500000 0.000000 Sr\n0.184837 0.841981 0.880690 Sr\n0.815163 0.341981 0.619309 Sr\n0.815163 0.158018 0.119310 Sr\n0.184837 0.658018 0.380690 Sr\n0.584513 0.947023 0.178760 P\n0.248685 0.774665 0.635171 P\n0.751314 0.274665 0.864828 P\n0.751315 0.225335 0.364828 P\n0.248686 0.725335 0.135172 P\n0.264912 0.000270 0.185178 P\n0.264912 0.499729 0.685178 P\n0.415487 0.447024 0.321239 P\n0.735088 0.500270 0.314822 P\n0.029785 0.645874 0.643472 P\n0.970215 0.145874 0.856527 P\n0.735088 0.999729 0.814822 P\n0.415487 0.052976 0.821239 P\n0.368221 0.288813 0.227503 P\n0.631779 0.788813 0.272496 P\n0.970215 0.354126 0.356527 P\n0.368221 0.211187 0.727503 P\n0.631779 0.711187 0.772496 P\n0.291415 0.919038 0.364567 P\n0.708585 0.419038 0.135433 P\n0.708585 0.080962 0.635433 P\n0.291415 0.580962 0.864566 P\n0.621971 0.820126 0.457792 P\n0.378029 0.320127 0.042208 P\n0.378029 0.179873 0.542208 P\n0.621971 0.679873 0.957791 P\n0.584513 0.552976 0.678760 P\n0.029785 0.854126 0.143472 P\n",
"nsites": 34,
"nelements": 2,
"elements": [
"Sr",
"P"
],
"chemical_system": "P-Sr",
"density": 2.9130722675895764,
"density_atomic": 0.04281880411326421,
"volume": 794.0436615199077,
"volume_molar": 14.064243233113764,
"formula_full": "Sr6 P28",
"formula_reduced": "Sr3P14",
"formula_anonymous": "A3B14",
"energy_above_hull": 2.914796231176471,
"spacegroup": 14
},
{
"id": "jvasp-112185",
"created_at": "2022-09-04T14:38:45.896689Z",
"updated_at": "2022-09-04T14:38:45.896707Z",
"structure_string": "Cd1 H18 C11 O4\n1.0\n3.858700 -0.028515 0.387548\n1.640046 4.159224 0.499010\n0.177804 -0.021064 16.977612\nCd H C O\n1 18 11 4\ndirect\n0.117390 -0.019451 0.847087 Cd\n0.694000 0.683653 0.501603 H\n0.677231 0.178666 0.580595 H\n0.350768 0.419378 0.128432 H\n0.813674 0.253939 0.272172 H\n0.326674 0.384420 0.274496 H\n0.760761 0.212801 0.425714 H\n0.275144 0.344789 0.423798 H\n0.209205 0.822677 0.497326 H\n0.838559 0.297600 0.119484 H\n0.823569 0.160673 0.005814 H\n0.396643 0.980175 0.047915 H\n0.799780 0.765565 0.191856 H\n0.311468 0.901229 0.196674 H\n0.761645 0.722988 0.347153 H\n0.274708 0.860469 0.347302 H\n0.585799 0.659684 0.656413 H\n0.110279 0.799742 0.644627 H\n0.194783 0.309008 0.573249 H\n0.693648 0.624570 0.972230 C\n0.560373 0.725601 0.045421 C\n0.581120 0.512144 0.121094 C\n0.563765 0.682507 0.195571 C\n0.559366 0.471090 0.272581 C\n0.423984 0.395048 0.576058 C\n0.507226 0.430494 0.424349 C\n0.459429 0.602205 0.499827 C\n0.356908 0.578600 0.650104 C\n0.288060 0.396859 0.727147 C\n0.526121 0.640823 0.347752 C\n0.886882 0.297511 0.961713 O\n0.352850 0.460593 0.794359 O\n0.158174 0.176610 0.722521 O\n0.668644 0.804019 0.904315 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 1.9869193916293093,
"density_atomic": 0.1245379900855703,
"volume": 273.0090631512403,
"volume_molar": 4.83558531486029,
"formula_full": "Cd1 H18 C11 O4",
"formula_reduced": "CdH18C11O4",
"formula_anonymous": "AB4C11D18",
"energy_above_hull": 4.564842169117648,
"spacegroup": 1
},
{
"id": "jvasp-20986",
"created_at": "2022-09-04T14:38:34.303344Z",
"updated_at": "2022-09-04T14:38:34.303355Z",
"structure_string": "Pr2 P24 Ru8\n1.0\n8.145011 -0.000000 0.000000\n-0.000000 8.145011 -0.000000\n0.000000 0.000000 8.145011\nPr P Ru\n2 24 8\ndirect\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.643772 0.500000 0.857239 P\n0.500000 0.857239 0.643772 P\n0.000000 0.642761 0.143777 P\n0.000000 0.357238 0.856223 P\n0.000000 0.642761 0.856223 P\n0.357238 0.856223 0.000000 P\n0.856223 0.000000 0.642761 P\n0.856223 0.000000 0.357238 P\n0.642761 0.143777 0.000000 P\n0.642761 0.856223 0.000000 P\n0.357238 0.143777 0.000000 P\n0.143777 0.000000 0.642761 P\n0.000000 0.357238 0.143777 P\n0.500000 0.142761 0.643772 P\n0.500000 0.857239 0.356228 P\n0.143777 0.000000 0.357238 P\n0.857239 0.356228 0.500000 P\n0.356228 0.500000 0.142761 P\n0.500000 0.142761 0.356228 P\n0.142761 0.643772 0.500000 P\n0.643772 0.500000 0.142761 P\n0.142761 0.356228 0.500000 P\n0.857239 0.643772 0.500000 P\n0.356228 0.500000 0.857239 P\n0.749998 0.749998 0.250002 Ru\n0.250002 0.749998 0.250002 Ru\n0.749998 0.250002 0.250002 Ru\n0.250002 0.250002 0.749998 Ru\n0.749998 0.749998 0.749998 Ru\n0.749998 0.250002 0.749998 Ru\n0.250002 0.749998 0.749998 Ru\n0.250002 0.250002 0.250002 Ru\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Pr",
"P",
"Ru"
],
"chemical_system": "P-Pr-Ru",
"density": 5.635249561684105,
"density_atomic": 0.06292219894667306,
"volume": 540.3498378817817,
"volume_molar": 9.570772892256675,
"formula_full": "Pr2 P24 Ru8",
"formula_reduced": "Pr(P3Ru)4",
"formula_anonymous": "AB4C12",
"energy_above_hull": 4.044640461764706,
"spacegroup": 204
},
{
"id": "jvasp-20840",
"created_at": "2022-09-04T14:38:33.994014Z",
"updated_at": "2022-09-04T14:38:33.994036Z",
"structure_string": "Sm4 Te8 O22\n1.0\n5.139819 -0.000000 0.848620\n2.455017 6.267761 1.120179\n0.011621 -0.050536 15.919036\nSm Te O\n4 8 22\ndirect\n0.636990 0.700395 0.536814 Sm\n0.125801 0.200396 0.036814 Sm\n0.874200 0.799604 0.963186 Sm\n0.363011 0.299604 0.463186 Sm\n0.649622 0.043343 0.202545 Te\n0.895511 0.456656 0.297455 Te\n0.350379 0.956656 0.797455 Te\n0.104490 0.543343 0.702545 Te\n0.347167 0.617857 0.128727 Te\n0.652834 0.382143 0.871273 Te\n0.906250 0.117856 0.628727 Te\n0.093751 0.882143 0.371273 Te\n0.166975 0.528698 0.055721 O\n0.187849 0.129752 0.369907 O\n0.687508 0.370248 0.130093 O\n0.833026 0.471301 0.944279 O\n0.248606 0.028697 0.555722 O\n0.362291 0.249999 0.750000 O\n0.114575 0.048006 0.901178 O\n0.936240 0.548007 0.401178 O\n0.885426 0.951993 0.098822 O\n0.312493 0.629751 0.869907 O\n0.812152 0.870248 0.630094 O\n0.590216 0.370695 0.328191 O\n0.289104 0.129304 0.171809 O\n0.409785 0.629304 0.671809 O\n0.710897 0.870695 0.828192 O\n0.454146 0.813916 0.046024 O\n0.314088 0.686083 0.453976 O\n0.545854 0.186083 0.953977 O\n0.685913 0.313916 0.546024 O\n0.637709 0.750000 0.250000 O\n0.063760 0.451993 0.598823 O\n0.751395 0.971302 0.444279 O\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Sm",
"Te",
"O"
],
"chemical_system": "O-Sm-Te",
"density": 6.390932637702978,
"density_atomic": 0.06628221550521322,
"volume": 512.9581101181784,
"volume_molar": 9.085605715044855,
"formula_full": "Sm4 Te8 O22",
"formula_reduced": "Sm2Te4O11",
"formula_anonymous": "A2B4C11",
"energy_above_hull": 2.3309574892156864,
"spacegroup": 15
},
{
"id": "jvasp-91481",
"created_at": "2022-09-04T14:35:53.277444Z",
"updated_at": "2022-09-04T14:35:53.277464Z",
"structure_string": "Na6 Fe10 O18\n1.0\n5.195319 -0.003522 -0.048208\n-0.075913 9.007348 0.878298\n-0.006204 -0.020585 9.050362\nNa Fe O\n6 10 18\ndirect\n0.727156 0.682103 0.838177 Na\n0.772846 0.161823 0.317897 Na\n0.272846 0.317898 0.161823 Na\n0.227156 0.838177 0.682103 Na\n0.750001 0.410392 0.589608 Na\n0.250001 0.589609 0.410392 Na\n0.250001 0.060131 0.939869 Fe\n0.750001 0.939870 0.060131 Fe\n0.280918 0.976170 0.296622 Fe\n0.219083 0.703378 0.023831 Fe\n0.719083 0.023831 0.703378 Fe\n0.221901 0.199528 0.568051 Fe\n0.278100 0.431949 0.800473 Fe\n0.778100 0.800473 0.431949 Fe\n0.721901 0.568052 0.199527 Fe\n0.780918 0.296623 0.976169 Fe\n0.676758 0.836897 0.623518 O\n0.070677 0.026235 0.127157 O\n0.429324 0.872844 0.973765 O\n0.929324 0.973766 0.872843 O\n0.570678 0.127157 0.026235 O\n0.323244 0.163104 0.376482 O\n0.176758 0.623519 0.836896 O\n0.823244 0.376482 0.163104 O\n0.870857 0.737471 0.082277 O\n0.358841 0.566419 0.167096 O\n0.858841 0.167096 0.566418 O\n0.641160 0.433582 0.832904 O\n0.370857 0.082278 0.737471 O\n0.129144 0.262530 0.917723 O\n0.629144 0.917723 0.262529 O\n0.750001 0.595848 0.404153 O\n0.141160 0.832905 0.433582 O\n0.250001 0.404153 0.595847 O\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Na",
"Fe",
"O"
],
"chemical_system": "Fe-Na-O",
"density": 3.8587335833654617,
"density_atomic": 0.08026252102559789,
"volume": 423.609918621376,
"volume_molar": 7.503054580206093,
"formula_full": "Na6 Fe10 O18",
"formula_reduced": "Na3Fe5O9",
"formula_anonymous": "A3B5C9",
"energy_above_hull": 2.621643294117647,
"spacegroup": 15
},
{
"id": "jvasp-88716",
"created_at": "2022-09-04T14:35:53.347516Z",
"updated_at": "2022-09-04T14:35:53.347535Z",
"structure_string": "Ba8 Y2 Cu6 O18\n1.0\n8.134969 0.000000 0.000000\n0.000000 8.134969 0.000000\n0.000000 -0.000000 8.134969\nBa Y Cu O\n8 2 6 18\ndirect\n0.750000 0.250000 0.250000 Ba\n0.250000 0.250000 0.750000 Ba\n0.250000 0.750000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.250000 0.750000 0.750000 Ba\n0.750000 0.750000 0.250000 Ba\n0.750000 0.250000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Y\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.000000 0.500000 Cu\n0.000000 0.500000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.500000 0.500000 0.772947 O\n0.000000 0.500000 0.750000 O\n0.000000 0.500000 0.250000 O\n0.500000 0.750000 0.000000 O\n0.500000 0.250000 0.000000 O\n0.772947 0.500000 0.500000 O\n0.227053 0.500000 0.500000 O\n0.500000 0.500000 0.227053 O\n0.000000 0.272947 0.000000 O\n0.500000 0.227053 0.500000 O\n0.727053 0.000000 0.000000 O\n0.272947 0.000000 0.000000 O\n0.000000 0.000000 0.727053 O\n0.000000 0.000000 0.272947 O\n0.000000 0.727053 0.000000 O\n0.250000 0.000000 0.500000 O\n0.500000 0.772947 0.500000 O\n0.750000 0.000000 0.500000 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Cu",
"O"
],
"chemical_system": "Ba-Cu-O-Y",
"density": 6.001442986472785,
"density_atomic": 0.06315550470297156,
"volume": 538.3537058235282,
"volume_molar": 9.53541704452035,
"formula_full": "Ba8 Y2 Cu6 O18",
"formula_reduced": "Ba4Y(CuO3)3",
"formula_anonymous": "AB3C4D9",
"energy_above_hull": 1.5143530694117646,
"spacegroup": 223
},
{
"id": "jvasp-62895",
"created_at": "2022-09-04T14:35:50.891497Z",
"updated_at": "2022-09-04T14:35:50.891516Z",
"structure_string": "Na6 Sc4 B6 O18\n1.0\n7.131126 -4.318856 0.010589\n7.131323 4.319179 0.010638\n4.505174 0.000141 7.015172\nNa Sc B O\n6 4 6 18\ndirect\n0.417684 0.082115 0.750175 Na\n0.749906 0.417791 0.082325 Na\n0.917722 0.249942 0.582330 Na\n0.249860 0.582143 0.917976 Na\n0.582083 0.917817 0.250125 Na\n0.082046 0.749990 0.417970 Na\n0.827370 0.827454 0.827637 Sc\n0.172397 0.172479 0.172663 Sc\n0.327367 0.327453 0.327639 Sc\n0.672399 0.672479 0.672661 Sc\n0.249892 0.909649 0.590459 B\n0.090194 0.409647 0.750146 B\n0.909573 0.590285 0.250154 B\n0.590201 0.249972 0.909829 B\n0.749875 0.090284 0.409841 B\n0.409566 0.749960 0.090471 B\n0.570276 0.749936 0.929787 O\n0.929518 0.570357 0.750122 O\n0.749854 0.929603 0.570548 O\n0.429491 0.249997 0.070513 O\n0.070249 0.429575 0.250178 O\n0.249913 0.070329 0.429752 O\n0.844341 0.685007 0.095337 O\n0.684930 0.095151 0.844610 O\n0.814844 0.655564 0.404937 O\n0.404680 0.814920 0.655736 O\n0.655465 0.404768 0.815085 O\n0.155426 0.314927 0.904963 O\n0.904690 0.155522 0.315120 O\n0.184924 0.344368 0.595363 O\n0.595087 0.185012 0.344564 O\n0.344302 0.595165 0.185215 O\n0.095076 0.844410 0.685180 O\n0.314836 0.904781 0.155690 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Na",
"Sc",
"B",
"O"
],
"chemical_system": "B-Na-O-Sc",
"density": 2.579418809757005,
"density_atomic": 0.0787547619816197,
"volume": 431.71992581140864,
"volume_molar": 7.646700476861943,
"formula_full": "Na6 Sc4 B6 O18",
"formula_reduced": "Na3Sc2(BO3)3",
"formula_anonymous": "A2B3C3D9",
"energy_above_hull": 2.649453338235294,
"spacegroup": 167
},
{
"id": "jvasp-88755",
"created_at": "2022-09-04T14:36:04.574178Z",
"updated_at": "2022-09-04T14:36:04.574194Z",
"structure_string": "Ga10 Ge1 Pb3 O20\n1.0\n4.991126 0.007225 1.347539\n1.924641 9.263648 2.753244\n0.020979 -0.008667 9.853896\nGa Ge Pb O\n10 1 3 20\ndirect\n0.165291 0.577655 0.149856 Ga\n0.834710 0.422346 0.850144 Ga\n0.165291 0.149856 0.577655 Ga\n0.500000 0.633098 0.366902 Ga\n0.500000 0.366902 0.633098 Ga\n0.659178 0.993657 0.721432 Ga\n0.340823 0.278568 0.006343 Ga\n0.340823 0.006344 0.278568 Ga\n0.659178 0.721432 0.993656 Ga\n0.834710 0.850144 0.422345 Ga\n0.000000 0.500000 0.500000 Ge\n0.000000 0.000000 0.000000 Pb\n0.329667 0.723200 0.723200 Pb\n0.670334 0.276800 0.276800 Pb\n0.103857 0.684292 0.455508 O\n0.896143 0.544492 0.315708 O\n0.010593 0.007512 0.719339 O\n0.989408 0.280661 0.992488 O\n0.989408 0.992489 0.280661 O\n0.010593 0.719339 0.007512 O\n0.434530 0.661722 0.172962 O\n0.565471 0.827038 0.338278 O\n0.565471 0.338279 0.827038 O\n0.497883 0.904356 0.904356 O\n0.649265 0.604909 0.876200 O\n0.350736 0.123801 0.395091 O\n0.350736 0.395091 0.123800 O\n0.649265 0.876200 0.604909 O\n0.502118 0.095644 0.095644 O\n0.103857 0.455508 0.684292 O\n0.615062 0.566837 0.566837 O\n0.384939 0.433163 0.433163 O\n0.434530 0.172962 0.661722 O\n0.896144 0.315708 0.544492 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Ga",
"Ge",
"Pb",
"O"
],
"chemical_system": "Ga-Ge-O-Pb",
"density": 6.241868780740086,
"density_atomic": 0.07467551188202808,
"volume": 455.30320640738285,
"volume_molar": 8.064411757248804,
"formula_full": "Ga10 Ge1 Pb3 O20",
"formula_reduced": "Ga10GePb3O20",
"formula_anonymous": "AB3C10D20",
"energy_above_hull": 1.6682694605882356,
"spacegroup": 12
},
{
"id": "jvasp-23185",
"created_at": "2022-09-04T14:37:50.897950Z",
"updated_at": "2022-09-04T14:37:50.897977Z",
"structure_string": "Y4 Be4 Fe2 Si4 O20\n1.0\n0.000000 4.696276 -0.062320\n7.447212 0.000000 0.000000\n0.000000 0.036441 -9.950011\nY Be Fe Si O\n4 4 2 4 20\ndirect\n-0.003224 0.611212 0.174365 Y\n0.003224 0.111212 0.325635 Y\n0.003223 0.388787 0.825635 Y\n-0.003224 0.888787 0.674365 Y\n0.544349 0.914455 0.160279 Be\n0.455652 0.414455 0.339721 Be\n0.455652 0.085545 0.839721 Be\n0.544348 0.585545 0.660279 Be\n0.000000 0.000000 0.000000 Fe\n-0.000000 0.500000 0.500000 Fe\n0.484937 0.720886 0.922233 Si\n0.515063 0.220886 0.577767 Si\n0.515063 0.279114 0.077767 Si\n0.484937 0.779114 0.422233 Si\n0.304546 0.159204 0.702927 O\n0.695455 0.659204 0.797073 O\n0.699970 0.796960 0.039691 O\n0.300031 0.296960 0.460309 O\n0.751595 0.422405 0.025455 O\n0.699970 0.703040 0.539691 O\n0.248405 0.922405 0.474545 O\n0.695455 0.840796 0.297073 O\n0.751595 0.077595 0.525455 O\n0.706610 0.392105 0.634624 O\n0.300031 0.203040 0.960309 O\n0.208450 0.589057 0.666052 O\n0.208450 0.910943 0.166052 O\n0.791551 0.410943 0.333948 O\n0.293391 0.892105 0.865376 O\n0.304546 0.340796 0.202927 O\n0.706610 0.107895 0.134624 O\n0.293391 0.607894 0.365376 O\n0.248405 0.577595 0.974544 O\n0.791551 0.089057 0.833948 O\n",
"nsites": 34,
"nelements": 5,
"elements": [
"Y",
"Be",
"Fe",
"Si",
"O"
],
"chemical_system": "Be-Fe-O-Si-Y",
"density": 4.465111314332199,
"density_atomic": 0.09770777733968121,
"volume": 347.97639375009993,
"volume_molar": 6.163420071530253,
"formula_full": "Y4 Be4 Fe2 Si4 O20",
"formula_reduced": "Y2Be2Fe(SiO5)2",
"formula_anonymous": "AB2C2D2E10",
"energy_above_hull": 3.012561223529412,
"spacegroup": 14
}
]
}