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=-id&page=85",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=83",
"results": [
{
"id": "jvasp-98317",
"created_at": "2022-09-04T14:35:42.292364Z",
"updated_at": "2022-09-04T14:35:42.292381Z",
"structure_string": "Na4 Cl4 O12\n1.0\n7.406877 -0.497636 0.582470\n-0.520159 6.989922 -0.609020\n0.549031 -0.546771 7.681305\nNa Cl O\n4 4 12\ndirect\n0.589971 0.508886 0.090099 Na\n0.573585 0.890168 0.465430 Na\n0.088644 0.407661 0.590188 Na\n0.955563 0.901669 0.116553 Na\n0.962170 0.539452 0.923648 Cl\n0.433918 0.494042 0.436468 Cl\n0.926251 0.053570 0.468344 Cl\n0.605403 0.894473 0.121462 Cl\n0.309582 0.823708 0.852528 O\n0.198378 0.753761 0.223755 O\n0.785756 0.625979 0.630582 O\n0.316487 0.906506 0.720240 O\n0.712504 0.768602 0.710901 O\n-0.082040 0.424187 0.309376 O\n0.153786 0.200478 0.025583 O\n0.653056 0.175208 0.798551 O\n0.554384 0.300278 0.787363 O\n0.297498 0.233316 0.095590 O\n0.183645 0.763420 0.387871 O\n0.781460 0.334627 0.245473 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Cl",
"O"
],
"chemical_system": "Cl-Na-O",
"density": 1.8066533079782763,
"density_atomic": 0.051107767068074746,
"volume": 391.32995134301825,
"volume_molar": 11.783220252958033,
"formula_full": "Na4 Cl4 O12",
"formula_reduced": "NaClO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.3723737423333329,
"spacegroup": 1
},
{
"id": "jvasp-98313",
"created_at": "2022-09-04T14:36:22.136451Z",
"updated_at": "2022-09-04T14:36:22.136481Z",
"structure_string": "U4 W4 C8\n1.0\n3.245205 -0.000000 -0.000000\n0.000000 5.659935 0.000000\n0.000000 0.000001 11.067036\nU W C\n4 4 8\ndirect\n0.250000 0.580116 0.358485 U\n0.749999 0.919885 0.858485 U\n0.250000 0.080115 0.141515 U\n0.749999 0.419885 0.641516 U\n0.250000 0.420641 0.897471 W\n0.250000 0.920641 0.602529 W\n0.749999 0.079359 0.397471 W\n0.749999 0.579359 0.102529 W\n0.250000 0.162959 0.755209 C\n0.749999 0.751499 0.507634 C\n0.250000 0.748503 0.007634 C\n0.749999 0.251497 0.992365 C\n0.749999 0.837038 0.244792 C\n0.749999 0.337042 0.255209 C\n0.250000 0.662963 0.744792 C\n0.250000 0.248502 0.492365 C\n",
"nsites": 16,
"nelements": 3,
"elements": [
"U",
"W",
"C"
],
"chemical_system": "C-U-W",
"density": 14.569754046368136,
"density_atomic": 0.0787109365405406,
"volume": 203.27543672103423,
"volume_molar": 7.650958081153381,
"formula_full": "U4 W4 C8",
"formula_reduced": "UWC2",
"formula_anonymous": "ABC2",
"energy_above_hull": 6.401626500000001,
"spacegroup": 62
},
{
"id": "jvasp-98311",
"created_at": "2022-09-04T14:36:20.875758Z",
"updated_at": "2022-09-04T14:36:20.875775Z",
"structure_string": "Fe8 Te4 O20\n1.0\n4.859618 0.000000 0.000000\n0.000000 7.634933 -1.621115\n0.000000 0.128571 10.649135\nFe Te O\n8 4 20\ndirect\n0.052488 0.811917 0.909558 Fe\n0.947513 0.188082 0.090442 Fe\n0.552488 0.188082 0.590441 Fe\n0.432322 0.981887 0.131304 Fe\n0.567678 0.018113 0.868695 Fe\n0.067678 0.981887 0.631304 Fe\n0.447513 0.811917 0.409558 Fe\n0.932322 0.018113 0.368696 Fe\n0.428356 0.361282 0.335453 Te\n0.571645 0.638717 0.664547 Te\n0.071644 0.361282 0.835453 Te\n0.928356 0.638717 0.164547 Te\n0.263406 0.062660 0.987081 O\n0.763406 0.937340 0.512919 O\n0.293990 0.739538 0.564819 O\n0.378313 0.082411 0.731331 O\n0.624858 0.578124 0.341120 O\n0.101154 0.758812 0.317832 O\n0.898847 0.241187 0.682168 O\n0.793990 0.260461 0.935181 O\n0.601154 0.241187 0.182169 O\n0.206010 0.739538 0.064819 O\n0.124857 0.421876 0.158881 O\n0.736595 0.937340 0.012919 O\n0.375143 0.421876 0.658880 O\n0.875143 0.578124 0.841119 O\n0.398846 0.758812 0.817831 O\n0.236595 0.062660 0.487081 O\n0.706010 0.260462 0.435181 O\n0.878314 0.917589 0.768668 O\n0.121687 0.082411 0.231331 O\n0.621687 0.917589 0.268669 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Fe",
"Te",
"O"
],
"chemical_system": "Fe-O-Te",
"density": 5.353733274662609,
"density_atomic": 0.0807823315892116,
"volume": 396.1262242680003,
"volume_molar": 7.454774628966331,
"formula_full": "Fe8 Te4 O20",
"formula_reduced": "Fe2TeO5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.733298283333333,
"spacegroup": 14
},
{
"id": "jvasp-9831",
"created_at": "2022-09-04T14:38:34.338953Z",
"updated_at": "2022-09-04T14:38:34.338970Z",
"structure_string": "Zn4 Fe4 O8\n1.0\n3.014382 -0.054479 -0.020586\n-1.280678 -7.814727 0.028831\n-1.314013 0.229709 -8.090007\nZn Fe O\n4 4 8\ndirect\n0.413674 0.052696 0.295718 Zn\n0.590523 0.927221 0.732476 Zn\n0.839124 0.735379 0.100482 Zn\n0.165027 0.244534 0.927723 Zn\n0.357762 0.305399 0.597452 Fe\n0.816887 0.404223 0.266596 Fe\n0.187238 0.575696 0.761606 Fe\n0.646396 0.674524 0.430753 Fe\n0.225915 0.736187 0.574839 O\n0.681347 0.394149 0.820555 O\n0.322802 0.585766 0.207653 O\n0.778237 0.243735 0.453365 O\n0.156980 0.086865 0.743304 O\n0.231508 0.246648 0.159227 O\n-0.152792 0.893050 0.284899 O\n0.772605 0.733265 0.868976 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Zn",
"Fe",
"O"
],
"chemical_system": "Fe-O-Zn",
"density": 5.320089623224035,
"density_atomic": 0.08362216828127712,
"volume": 191.3368228647376,
"volume_molar": 7.201607999141477,
"formula_full": "Zn4 Fe4 O8",
"formula_reduced": "ZnFeO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.372210725,
"spacegroup": 2
},
{
"id": "jvasp-98309",
"created_at": "2022-09-04T14:36:19.375294Z",
"updated_at": "2022-09-04T14:36:19.375318Z",
"structure_string": "Na8 P8 O24\n1.0\n5.607361 0.000000 1.784793\n2.803680 9.294104 0.892396\n-0.015234 0.000000 9.748700\nNa P O\n8 8 24\ndirect\n0.516336 0.268756 0.555749 Na\n0.714908 0.444250 0.768756 Na\n0.927915 0.055749 0.731243 Na\n0.072086 0.944250 0.268757 Na\n0.285093 0.555749 0.231244 Na\n0.340843 0.231243 0.944250 Na\n0.659158 0.768756 0.055750 Na\n0.483664 0.731243 0.444251 Na\n0.499407 0.059297 0.293787 P\n0.852491 0.440703 0.206213 P\n0.147509 0.559297 0.793787 P\n0.058704 0.293787 0.440703 P\n0.793194 0.206213 0.059297 P\n0.941296 0.706213 0.559297 P\n0.500594 0.940702 0.706213 P\n0.206807 0.793787 0.940703 P\n0.882648 0.582387 0.881542 O\n0.117352 0.417612 0.118458 O\n0.562405 0.141984 0.139456 O\n0.678195 0.589694 0.238694 O\n0.493417 0.089695 0.738694 O\n-0.034964 0.881542 0.917613 O\n0.156156 0.641984 0.639456 O\n0.437596 0.858015 0.860544 O\n0.767890 0.238694 0.910305 O\n0.764190 0.618457 0.582388 O\n0.204389 0.139456 0.358016 O\n0.034965 0.118458 0.082388 O\n0.346578 0.917612 0.618458 O\n0.298140 0.639456 0.858016 O\n0.083112 0.738694 0.410306 O\n0.701861 0.360544 0.141984 O\n0.235810 0.381542 0.417612 O\n0.653423 0.082388 0.381542 O\n0.843845 0.358016 0.360544 O\n0.321806 0.410305 0.761306 O\n0.916889 0.261306 0.589694 O\n0.506584 0.910305 0.261306 O\n0.232111 0.761306 0.089695 O\n0.795612 0.860544 0.641984 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Na",
"P",
"O"
],
"chemical_system": "Na-O-P",
"density": 2.6646954183022156,
"density_atomic": 0.07869212642643833,
"volume": 508.31006628588364,
"volume_molar": 7.652786922246303,
"formula_full": "Na8 P8 O24",
"formula_reduced": "NaPO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.557137,
"spacegroup": 88
},
{
"id": "jvasp-98307",
"created_at": "2022-09-04T14:36:16.729850Z",
"updated_at": "2022-09-04T14:36:16.729872Z",
"structure_string": "Te4 P4 Cl36\n1.0\n10.528089 -0.072478 -5.688156\n-6.881076 9.784162 -0.349264\n-0.136025 0.072478 11.965670\nTe P Cl\n4 4 36\ndirect\n0.095415 0.248545 0.346870 Te\n0.543782 0.827443 0.216339 Te\n0.901675 0.748545 0.653130 Te\n0.611104 0.327443 0.783661 Te\n0.507146 0.794510 0.732167 P\n0.062343 0.294510 0.787364 P\n0.062343 0.774979 0.267833 P\n0.507146 0.274979 0.212636 P\n0.093799 0.949767 0.644032 Cl\n0.514853 0.259699 0.378530 Cl\n0.687077 0.955057 0.897694 Cl\n0.271166 0.644535 0.126632 Cl\n0.911539 0.901618 0.815132 Cl\n0.057364 0.455057 0.767980 Cl\n0.911539 0.596407 0.509920 Cl\n0.687077 0.289383 0.232020 Cl\n0.301737 0.225207 0.576530 Cl\n0.513629 0.438829 0.182248 Cl\n0.058668 0.612390 0.301512 Cl\n0.881170 0.136323 0.621470 Cl\n0.256581 0.938829 0.425200 Cl\n0.529350 0.976176 0.357038 Cl\n0.895032 0.248892 0.146140 Cl\n0.086486 0.401618 0.490080 Cl\n0.305735 0.449767 0.355968 Cl\n0.529350 0.672312 0.053174 Cl\n0.858312 0.016641 0.341671 Cl\n0.619139 0.172313 0.642962 Cl\n0.489848 0.939358 0.050490 Cl\n0.102752 0.748892 0.853860 Cl\n0.310879 0.112390 0.053722 Cl\n0.619139 0.476176 0.946826 Cl\n0.513629 0.831380 0.574800 Cl\n0.881170 0.759699 0.244847 Cl\n0.517904 0.144535 0.873369 Cl\n0.674970 0.516641 0.658329 Cl\n0.514853 0.636323 0.755153 Cl\n0.310879 0.757156 0.698489 Cl\n0.256581 0.331381 0.817752 Cl\n0.648677 0.725207 0.423470 Cl\n0.888868 0.439358 0.949509 Cl\n0.086486 0.096407 0.184868 Cl\n0.058669 0.257157 0.946278 Cl\n0.057363 0.789383 0.102307 Cl\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Te",
"P",
"Cl"
],
"chemical_system": "Cl-P-Te",
"density": 2.595989034340103,
"density_atomic": 0.03600277417703913,
"volume": 1222.1280444566721,
"volume_molar": 16.726879796503674,
"formula_full": "Te4 P4 Cl36",
"formula_reduced": "TePCl9",
"formula_anonymous": "ABC9",
"energy_above_hull": 0.4699799885606061,
"spacegroup": 46
},
{
"id": "jvasp-98306",
"created_at": "2022-09-04T14:36:15.490258Z",
"updated_at": "2022-09-04T14:36:15.490279Z",
"structure_string": "Pr2 Mo12 O24\n1.0\n7.959046 -0.039296 -2.261337\n-4.551207 6.529508 -2.261337\n0.020633 0.039296 8.274033\nPr Mo O\n2 12 24\ndirect\n0.793755 0.793755 -0.000001 Pr\n0.206245 0.206245 -0.000000 Pr\n0.815533 0.664440 0.479972 Mo\n0.335560 0.815533 0.151093 Mo\n0.184467 0.335560 0.520027 Mo\n0.523534 0.676175 0.523221 Mo\n0.676175 0.152953 0.152641 Mo\n0.664440 0.184467 0.848906 Mo\n0.152953 0.000312 0.476778 Mo\n0.476466 0.323825 0.476778 Mo\n0.323825 0.847047 0.847358 Mo\n0.999688 0.476466 0.152640 Mo\n0.847047 0.999688 0.523221 Mo\n0.000312 0.523535 0.847359 Mo\n0.164468 0.208058 0.702729 O\n0.505328 0.461739 0.297270 O\n0.208057 0.505328 0.043589 O\n0.836432 0.461006 0.297438 O\n0.163568 0.538994 0.702561 O\n0.538993 0.836432 0.375425 O\n0.159874 0.123490 0.283364 O\n0.123490 0.840126 0.963615 O\n0.461739 0.164469 0.956411 O\n0.461006 0.163568 0.624574 O\n0.791943 0.494672 0.956410 O\n0.502549 0.874859 0.711502 O\n0.835531 0.791942 0.297270 O\n0.538261 0.835531 0.043588 O\n0.163355 0.791047 0.288497 O\n0.791047 0.502550 0.627690 O\n0.874858 0.163355 0.372308 O\n0.876510 0.159874 0.036384 O\n0.836645 0.208953 0.711502 O\n0.208953 0.497451 0.372308 O\n0.125141 0.836645 0.627691 O\n0.497451 0.125142 0.288497 O\n0.494672 0.538261 0.702729 O\n0.840125 0.876510 0.716635 O\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Pr",
"Mo",
"O"
],
"chemical_system": "Mo-O-Pr",
"density": 7.018218013299614,
"density_atomic": 0.08838673486978027,
"volume": 429.9287676593689,
"volume_molar": 6.81339883057383,
"formula_full": "Pr2 Mo12 O24",
"formula_reduced": "Pr(MoO2)6",
"formula_anonymous": "AB6C12",
"energy_above_hull": 4.295589855263158,
"spacegroup": 87
},
{
"id": "jvasp-98305",
"created_at": "2022-09-04T14:36:11.829666Z",
"updated_at": "2022-09-04T14:36:11.829692Z",
"structure_string": "K8 Mn4 Sn4 Se16\n1.0\n8.257138 -0.000000 0.000000\n-0.000000 10.635922 0.000000\n0.000000 0.000000 10.635922\nK Mn Sn Se\n8 4 4 16\ndirect\n0.750000 0.252700 0.247300 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.750000 0.747300 0.752699 K\n0.250000 0.000000 0.500000 K\n0.750000 0.500000 0.000000 K\n0.250000 0.247300 0.747300 K\n0.250000 0.752699 0.252700 K\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.750000 0.000000 0.500000 Mn\n0.250000 0.500000 0.000000 Mn\n0.750000 0.221512 0.721511 Sn\n0.750000 0.778488 0.278488 Sn\n0.250000 0.278488 0.221512 Sn\n0.250000 0.721511 0.778488 Sn\n0.395449 0.937216 0.788043 Se\n0.895450 0.437216 0.711956 Se\n0.895450 0.562784 0.288044 Se\n0.568085 0.194877 0.525304 Se\n0.604551 0.788043 0.062784 Se\n0.604551 0.211956 0.937216 Se\n0.568085 0.805123 0.474696 Se\n0.431915 0.525304 0.805123 Se\n0.931915 0.025304 0.694877 Se\n0.104551 0.711956 0.562784 Se\n0.431915 0.474696 0.194877 Se\n0.931915 0.974696 0.305123 Se\n0.104551 0.288044 0.437216 Se\n0.068085 0.305123 0.025304 Se\n0.068085 0.694877 0.974696 Se\n0.395449 0.062784 0.211956 Se\n",
"nsites": 32,
"nelements": 4,
"elements": [
"K",
"Mn",
"Sn",
"Se"
],
"chemical_system": "K-Mn-Se-Sn",
"density": 4.036792309621858,
"density_atomic": 0.03425864233594607,
"volume": 934.0708743272007,
"volume_molar": 17.578457140670857,
"formula_full": "K8 Mn4 Sn4 Se16",
"formula_reduced": "K2MnSnSe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.114614801005747,
"spacegroup": 118
},
{
"id": "jvasp-98304",
"created_at": "2022-09-04T14:36:08.037436Z",
"updated_at": "2022-09-04T14:36:08.037461Z",
"structure_string": "Sr2 H32 O20\n1.0\n6.105953 -0.023696 -0.182474\n-0.003797 6.247668 0.263155\n-0.365583 0.474831 11.326056\nSr H O\n2 32 20\ndirect\n0.971984 0.013303 0.502409 Sr\n0.019377 0.940993 -0.020006 Sr\n0.268883 0.380802 0.605837 H\n0.035310 0.421216 0.652850 H\n0.370915 0.716399 0.604519 H\n0.432164 -0.054588 0.647707 H\n0.737828 0.178377 0.713931 H\n0.597782 0.281098 0.600886 H\n0.068823 0.555416 0.163699 H\n0.721822 0.394902 0.098299 H\n0.032059 0.228208 0.156245 H\n0.741310 0.831868 0.212259 H\n0.620186 0.726167 0.106103 H\n0.385595 0.268541 0.103197 H\n0.432277 0.023545 0.128920 H\n0.709069 0.608297 0.602956 H\n0.800555 0.722871 0.714899 H\n0.184993 0.757433 0.224598 H\n0.561801 0.922785 0.842925 H\n0.626609 0.679865 0.887064 H\n0.026745 0.351867 0.304636 H\n0.229315 0.425401 0.396771 H\n0.922175 0.606971 0.374315 H\n0.718488 0.213131 0.282484 H\n0.575602 0.309102 0.379343 H\n0.392221 0.001471 0.346668 H\n0.675020 0.658422 0.388194 H\n0.348723 0.758089 0.391778 H\n0.979048 0.402985 0.849499 H\n0.742338 0.348306 0.894389 H\n0.206688 0.709207 0.781078 H\n0.300166 0.571070 0.897226 H\n0.403209 0.227036 0.894697 H\n0.267971 0.179032 0.775293 H\n0.335057 0.107814 0.851356 O\n0.158362 0.689894 0.149212 O\n0.669656 0.141354 0.636888 O\n0.307487 0.843919 0.640581 O\n0.142537 0.304871 0.646790 O\n0.847954 0.671437 0.640219 O\n0.688054 0.821532 0.852277 O\n0.917641 0.326658 0.175070 O\n0.162032 0.641662 0.858652 O\n0.536619 0.454792 0.940157 O\n0.271575 0.897490 0.362280 O\n0.637726 0.171080 0.354581 O\n0.817801 0.730803 0.364823 O\n0.072304 0.370844 0.390828 O\n0.567480 0.465962 0.070836 O\n0.480028 0.502723 0.557410 O\n0.464198 0.526299 0.424449 O\n0.681661 0.866825 0.128899 O\n0.874342 0.282094 0.860497 O\n0.308742 0.126862 0.110805 O\n",
"nsites": 54,
"nelements": 3,
"elements": [
"Sr",
"H",
"O"
],
"chemical_system": "H-O-Sr",
"density": 2.0327901587338926,
"density_atomic": 0.12532263042682162,
"volume": 430.8878597272316,
"volume_molar": 4.805309894541711,
"formula_full": "Sr2 H32 O20",
"formula_reduced": "Sr(H8O5)2",
"formula_anonymous": "AB10C16",
"energy_above_hull": 3.0292326411111112,
"spacegroup": 1
},
{
"id": "jvasp-98303",
"created_at": "2022-09-04T14:36:04.924893Z",
"updated_at": "2022-09-04T14:36:04.924924Z",
"structure_string": "Sr2 H32 O20\n1.0\n6.187161 -0.016889 0.193262\n-0.015290 6.194082 0.167158\n0.337617 0.296977 11.087047\nSr H O\n2 32 20\ndirect\n-0.017523 -0.023593 0.496769 Sr\n0.039684 0.025512 0.011867 Sr\n-0.010859 0.413968 0.623839 H\n0.228952 0.333006 0.632494 H\n0.345608 0.682633 0.619171 H\n0.234902 0.811511 0.725383 H\n0.509708 -0.019159 0.633941 H\n0.584600 0.224132 0.628128 H\n0.304739 0.626383 0.104196 H\n0.747137 0.403487 0.104539 H\n0.805272 0.267250 0.223806 H\n0.581024 0.965646 0.153525 H\n0.636524 0.734088 0.102125 H\n0.277254 0.212804 0.227535 H\n0.412246 0.291624 0.106343 H\n0.675591 0.568747 0.619474 H\n0.831130 0.676390 0.713451 H\n0.065896 0.564479 0.155701 H\n0.719911 0.976997 0.777700 H\n0.670127 0.773638 0.878869 H\n0.041358 0.435937 0.354699 H\n0.269414 0.376630 0.407324 H\n0.797230 0.735328 0.283177 H\n0.604217 0.265462 0.405006 H\n0.559720 0.035863 0.353616 H\n0.270182 0.791802 0.286419 H\n0.709818 0.599913 0.402537 H\n0.380467 0.706028 0.405023 H\n0.977610 0.317742 0.795104 H\n0.785549 0.420800 0.884633 H\n0.091018 0.594677 0.877915 H\n0.336855 0.657642 0.888739 H\n0.496090 0.073983 0.885093 H\n0.432112 0.316922 0.889287 H\n0.368438 0.168454 0.883506 O\n0.170840 0.686953 0.147009 O\n0.643194 0.072424 0.637179 O\n0.279640 0.828817 0.636786 O\n0.074170 0.280909 0.642768 O\n0.828235 0.637921 0.629246 O\n0.748624 0.918179 0.860858 O\n0.871735 0.331679 0.146126 O\n0.189642 0.723743 0.873249 O\n0.558698 0.544124 0.914290 O\n0.319015 0.840338 0.364450 O\n0.678000 0.140924 0.363054 O\n0.844006 0.672214 0.361664 O\n0.141907 0.313595 0.366795 O\n0.537524 0.525612 0.050385 O\n0.469709 0.459427 0.594100 O\n0.485804 0.475733 0.458022 O\n0.701566 0.862344 0.142358 O\n0.939469 0.363765 0.878414 O\n0.342791 0.160419 0.150577 O\n",
"nsites": 54,
"nelements": 3,
"elements": [
"Sr",
"H",
"O"
],
"chemical_system": "H-O-Sr",
"density": 2.064928390090464,
"density_atomic": 0.12730397005185198,
"volume": 424.1815866229886,
"volume_molar": 4.730520782303278,
"formula_full": "Sr2 H32 O20",
"formula_reduced": "Sr(H8O5)2",
"formula_anonymous": "AB10C16",
"energy_above_hull": 3.028848196666667,
"spacegroup": 1
},
{
"id": "jvasp-98302",
"created_at": "2022-09-04T14:36:00.022458Z",
"updated_at": "2022-09-04T14:36:00.022483Z",
"structure_string": "H36 Br4 O16\n1.0\n6.529724 0.170658 -2.280859\n0.389294 11.303198 0.296321\n0.193202 0.184085 7.206064\nH Br O\n36 4 16\ndirect\n0.330629 0.168428 0.987829 H\n0.867441 0.745390 0.293512 H\n0.919043 0.654894 0.491188 H\n0.339308 0.435044 0.523588 H\n0.187823 0.320517 0.489179 H\n0.656906 0.874935 0.661102 H\n0.807703 0.836677 0.533961 H\n0.618904 0.518957 0.671053 H\n0.572492 0.147199 0.387661 H\n0.605435 0.993820 0.435437 H\n0.367370 0.060093 0.343553 H\n0.854647 0.505942 0.169695 H\n0.004095 0.509889 0.043268 H\n0.141558 0.439080 0.315084 H\n0.988985 0.029005 0.952019 H\n0.905918 0.001777 0.734927 H\n0.127928 0.231313 0.719905 H\n0.110011 0.145232 0.547525 H\n0.470587 0.518314 0.801536 H\n0.347349 0.758105 0.371624 H\n0.347144 0.309538 0.004525 H\n0.702391 0.848883 0.031761 H\n0.861030 0.751017 0.003279 H\n0.943499 0.177890 0.159767 H\n0.783534 0.258111 0.952337 H\n0.051308 0.257992 0.038141 H\n0.031039 0.667360 0.837052 H\n0.161854 0.753665 0.983699 H\n0.578837 0.169307 0.818224 H\n0.642857 0.263685 0.680384 H\n0.403346 0.862198 0.110713 H\n0.494090 0.730058 0.140562 H\n0.629039 0.331260 0.361172 H\n0.829081 0.251815 0.491598 H\n0.156785 0.742958 0.476534 H\n0.380840 0.658114 0.563243 H\n0.514510 0.486861 0.125614 Br\n0.459728 -0.004096 0.868478 Br\n0.063800 0.008221 0.308997 Br\n0.943871 0.490756 0.702976 Br\n-0.001991 0.519186 0.177199 O\n0.513609 0.066681 0.345679 O\n0.471752 0.530922 0.663454 O\n0.724262 0.902672 0.566971 O\n0.255370 0.383150 0.423123 O\n0.938013 0.735872 0.442440 O\n0.084805 0.228567 0.575253 O\n0.316919 0.739748 0.500054 O\n0.389536 0.782543 0.168296 O\n0.614332 0.253863 0.808135 O\n0.027646 0.746859 0.886290 O\n0.925696 0.257811 0.084510 O\n0.756718 0.765859 0.073419 O\n0.251772 0.245701 0.973871 O\n0.676358 0.259730 0.453346 O\n0.949370 0.066995 0.819315 O\n",
"nsites": 56,
"nelements": 3,
"elements": [
"H",
"Br",
"O"
],
"chemical_system": "Br-H-O",
"density": 1.8961904348413852,
"density_atomic": 0.10450713344204066,
"volume": 535.8485890444736,
"volume_molar": 5.762420766559311,
"formula_full": "H36 Br4 O16",
"formula_reduced": "H9BrO4",
"formula_anonymous": "AB4C9",
"energy_above_hull": 2.822646293214286,
"spacegroup": 1
},
{
"id": "jvasp-98301",
"created_at": "2022-09-04T14:35:56.443478Z",
"updated_at": "2022-09-04T14:35:56.443508Z",
"structure_string": "H16 N8 O12\n1.0\n6.335328 0.000000 0.000000\n0.000000 7.466894 0.000000\n0.000000 0.000000 6.236504\nH N O\n16 8 12\ndirect\n0.704442 0.526786 0.958006 H\n0.972795 0.707087 -0.035997 H\n0.667614 0.220602 0.439759 H\n0.789854 0.512046 0.707400 H\n0.027205 0.292913 0.464003 H\n0.210146 0.487953 0.207400 H\n0.332387 0.779398 0.939758 H\n0.167614 0.279398 0.939758 H\n0.289854 -0.012047 0.207400 H\n0.710146 0.012047 0.707400 H\n0.832387 0.720601 0.439759 H\n0.527206 0.207087 -0.035997 H\n0.204442 -0.026786 0.458007 H\n0.295558 0.473214 0.458007 H\n0.795558 0.026786 0.958006 H\n0.472795 0.792912 0.464003 H\n0.039587 0.829552 0.254477 N\n-0.039587 0.170448 0.754477 N\n0.539588 0.670447 0.754477 N\n0.460413 0.329552 0.254477 N\n0.254232 0.398001 0.324929 N\n0.754233 0.101999 0.824929 N\n0.245768 0.898001 0.324929 N\n0.745768 0.601999 0.824929 N\n0.513944 0.193727 0.408448 O\n0.604687 0.440580 0.217853 O\n0.895314 0.940580 0.217853 O\n0.395314 0.559419 0.717853 O\n0.104686 0.059420 0.717853 O\n0.392501 0.218287 0.049703 O\n-0.013943 0.693727 0.408448 O\n0.607499 0.781713 0.549703 O\n0.013943 0.306272 0.908448 O\n0.486057 0.806272 0.908448 O\n0.892501 0.281713 0.549703 O\n0.107499 0.718286 0.049703 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"H",
"N",
"O"
],
"chemical_system": "H-N-O",
"density": 1.8021216480050448,
"density_atomic": 0.12202595207412571,
"volume": 295.0192101605689,
"volume_molar": 4.93513114025269,
"formula_full": "H16 N8 O12",
"formula_reduced": "H4N2O3",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 3.630373,
"spacegroup": 33
}
]
}