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=577",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=575",
"results": [
{
"id": "jvasp-91431",
"created_at": "2022-09-04T14:36:12.934292Z",
"updated_at": "2022-09-04T14:36:12.934315Z",
"structure_string": "K4 U4 Cr4 O24\n1.0\n6.408733 0.000000 -1.611873\n0.000000 8.353596 0.000000\n0.007423 0.000000 10.428924\nK U Cr O\n4 4 4 24\ndirect\n0.960412 0.732256 0.150911 K\n0.039588 0.232256 0.349089 K\n0.039587 0.267744 0.849089 K\n0.960411 0.767745 0.650910 K\n0.483172 0.023462 0.177743 U\n0.516827 0.523462 0.322257 U\n0.516827 0.976539 0.822257 U\n0.483172 0.476539 0.677742 U\n0.377028 0.643021 0.946642 Cr\n0.622971 0.143021 0.553358 Cr\n0.622971 0.356980 0.053358 Cr\n0.377028 0.856980 0.446642 Cr\n0.533919 0.157570 0.991407 O\n0.134904 0.868177 0.444164 O\n0.865096 0.368177 0.055836 O\n0.201841 0.430210 0.625093 O\n0.798157 0.930211 0.874907 O\n0.798158 0.569790 0.374907 O\n0.201842 0.069790 0.125093 O\n0.533919 0.342430 0.491407 O\n0.466080 0.842431 0.008593 O\n0.466080 0.657570 0.508592 O\n0.764253 0.521486 0.736516 O\n0.408822 0.791557 0.284712 O\n0.235746 0.478515 0.263485 O\n0.764253 0.978515 0.236515 O\n0.591177 0.208443 0.715287 O\n0.408822 0.708444 0.784712 O\n0.134903 0.631823 0.944163 O\n0.591177 0.291557 0.215288 O\n0.450702 0.063656 0.396219 O\n0.549297 0.563656 0.103781 O\n0.549297 0.936345 0.603781 O\n0.450702 0.436345 0.896218 O\n0.235746 0.021486 0.763484 O\n0.865095 0.131823 0.555836 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"K",
"U",
"Cr",
"O"
],
"chemical_system": "Cr-K-O-U",
"density": 5.05658649899564,
"density_atomic": 0.06446731934713554,
"volume": 558.4224745898262,
"volume_molar": 9.341385404242935,
"formula_full": "K4 U4 Cr4 O24",
"formula_reduced": "KUCrO6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 2.898369155555556,
"spacegroup": 14
},
{
"id": "jvasp-96645",
"created_at": "2022-09-04T14:36:13.252930Z",
"updated_at": "2022-09-04T14:36:13.252948Z",
"structure_string": "Sr4 Cd2 W2 O12\n1.0\n5.766394 0.000000 -0.002812\n0.000000 5.913395 0.000000\n0.011217 0.000000 8.184344\nSr Cd W O\n4 2 2 12\ndirect\n0.010166 0.547006 0.251596 Sr\n0.489834 0.047006 0.248404 Sr\n0.989833 0.452995 0.748404 Sr\n0.510166 0.952995 0.751596 Sr\n0.500000 0.500000 0.000000 Cd\n0.000000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 W\n0.500000 0.500000 0.500000 W\n0.586426 0.470559 0.271538 O\n0.913574 0.970560 0.228462 O\n0.680110 0.229946 0.549756 O\n0.272705 0.815129 0.040818 O\n0.227295 0.315129 0.459182 O\n0.727295 0.184872 0.959182 O\n0.772705 0.684872 0.540818 O\n0.180110 0.270054 0.049756 O\n0.319890 0.770055 0.450244 O\n0.819890 0.729946 0.950244 O\n0.086426 0.029441 0.771538 O\n0.413574 0.529442 0.728461 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Cd",
"W",
"O"
],
"chemical_system": "Cd-O-Sr-W",
"density": 6.753205230838813,
"density_atomic": 0.07166459113512279,
"volume": 279.0778497890293,
"volume_molar": 8.403230472138354,
"formula_full": "Sr4 Cd2 W2 O12",
"formula_reduced": "Sr2CdWO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.054565337,
"spacegroup": 14
},
{
"id": "jvasp-96452",
"created_at": "2022-09-04T14:36:13.440406Z",
"updated_at": "2022-09-04T14:36:13.440432Z",
"structure_string": "Pr4 Ta4 O16\n1.0\n5.556833 0.000000 0.000000\n0.000000 7.535807 -1.376601\n0.000000 0.014008 7.795707\nPr Ta O\n4 4 16\ndirect\n0.276022 0.653995 0.400632 Pr\n0.776022 0.346006 0.099368 Pr\n0.723978 0.346006 0.599368 Pr\n0.223978 0.653995 0.900632 Pr\n0.768272 0.834008 0.196136 Ta\n0.231728 0.165993 0.803864 Ta\n0.731728 0.834008 0.696136 Ta\n0.268272 0.165993 0.303864 Ta\n0.091499 0.941443 0.297417 O\n0.591499 0.058557 0.202583 O\n0.908500 0.058557 0.702583 O\n0.408501 0.941443 0.797417 O\n0.510286 0.667607 0.131034 O\n0.346829 0.166005 0.555084 O\n0.846829 0.833995 0.944917 O\n0.514731 0.616520 0.669661 O\n0.014731 0.383481 0.830340 O\n0.485268 0.383481 0.330339 O\n0.985268 0.616520 0.169661 O\n0.989714 0.667607 0.631033 O\n0.489714 0.332394 0.868968 O\n0.010286 0.332394 0.368967 O\n0.153171 0.166005 0.055084 O\n0.653170 0.833995 0.444917 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Pr",
"Ta",
"O"
],
"chemical_system": "O-Pr-Ta",
"density": 7.848306664489082,
"density_atomic": 0.07349471154094199,
"volume": 326.55410840860606,
"volume_molar": 8.193978360803857,
"formula_full": "Pr4 Ta4 O16",
"formula_reduced": "PrTaO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.7667738416666667,
"spacegroup": 14
},
{
"id": "jvasp-97642",
"created_at": "2022-09-04T14:36:13.719571Z",
"updated_at": "2022-09-04T14:36:13.719596Z",
"structure_string": "K4 Bi4 P8 Se24\n1.0\n7.625630 0.000000 0.000000\n0.000000 11.489683 -4.463308\n0.000000 0.156692 12.538472\nK Bi P Se\n4 4 8 24\ndirect\n0.587410 0.408200 0.132251 K\n0.412590 0.591800 0.867749 K\n0.912590 0.408200 0.632251 K\n0.087410 0.591800 0.367749 K\n0.641206 0.881150 0.664865 Bi\n0.141206 0.118849 0.835134 Bi\n0.358794 0.118849 0.335134 Bi\n0.858794 0.881150 0.164865 Bi\n0.904159 0.760376 0.818396 P\n0.372643 0.760454 0.196671 P\n0.404159 0.239624 0.681604 P\n0.595841 0.760376 0.318396 P\n0.872643 0.239546 0.303328 P\n0.627357 0.239546 0.803328 P\n0.095841 0.239624 0.181604 P\n0.127357 0.760454 0.696671 P\n0.817701 0.115316 0.685571 Se\n0.692026 0.945182 0.388657 Se\n0.000744 0.688338 0.945352 Se\n0.003718 0.835102 0.573764 Se\n0.996282 0.164898 0.426236 Se\n0.682299 0.115316 0.185571 Se\n0.192026 0.054818 0.111343 Se\n0.307974 0.054818 0.611343 Se\n0.306334 0.339514 0.299414 Se\n0.499256 0.688338 0.445352 Se\n0.807974 0.945182 0.888657 Se\n0.317701 0.884684 0.814428 Se\n0.500744 0.311661 0.554648 Se\n0.736379 0.414366 0.880119 Se\n0.806334 0.660486 0.200586 Se\n0.193666 0.339513 0.799414 Se\n0.182299 0.884684 0.314428 Se\n0.496282 0.835102 0.073764 Se\n-0.000744 0.311662 0.054648 Se\n0.693666 0.660486 0.700586 Se\n0.236379 0.585634 0.619880 Se\n0.503718 0.164898 0.926236 Se\n0.263621 0.585634 0.119880 Se\n0.763621 0.414366 0.380119 Se\n",
"nsites": 40,
"nelements": 4,
"elements": [
"K",
"Bi",
"P",
"Se"
],
"chemical_system": "Bi-K-P-Se",
"density": 4.716014276903179,
"density_atomic": 0.03623501018754212,
"volume": 1103.9047537994709,
"volume_molar": 16.619674532533896,
"formula_full": "K4 Bi4 P8 Se24",
"formula_reduced": "KBi(PSe3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.66781035,
"spacegroup": 14
},
{
"id": "jvasp-86082",
"created_at": "2022-09-04T14:36:13.810852Z",
"updated_at": "2022-09-04T14:36:13.810876Z",
"structure_string": "Ce4 P8\n1.0\n3.999151 0.000000 -0.507796\n0.000000 6.424500 0.000000\n0.075760 0.000000 9.683119\nCe P\n4 8\ndirect\n0.216080 0.315075 0.138303 Ce\n0.783919 0.684925 0.861696 Ce\n0.283920 0.815075 0.361696 Ce\n0.716080 0.184925 0.638303 Ce\n0.209056 0.855238 0.672309 P\n0.790943 0.144762 0.327690 P\n0.149284 0.368621 0.449370 P\n0.350715 0.868622 0.050629 P\n0.709056 0.644762 0.172309 P\n0.649284 0.131379 0.949370 P\n0.850715 0.631379 0.550629 P\n0.290943 0.355238 0.827691 P\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ce",
"P"
],
"chemical_system": "Ce-P",
"density": 5.389436641314569,
"density_atomic": 0.04818674658318942,
"volume": 249.03113098294037,
"volume_molar": 12.497504370010533,
"formula_full": "Ce4 P8",
"formula_reduced": "CeP2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.0464455,
"spacegroup": 14
},
{
"id": "jvasp-97561",
"created_at": "2022-09-04T14:36:13.817944Z",
"updated_at": "2022-09-04T14:36:13.817958Z",
"structure_string": "Li4 Cu4 H16 Cl12 O8\n1.0\n5.722791 0.000000 -2.008608\n0.000000 10.953306 0.000000\n-0.064430 0.000000 9.126198\nLi Cu H Cl O\n4 4 16 12 8\ndirect\n0.440461 0.472015 0.839031 Li\n0.559539 0.972015 0.660969 Li\n0.559539 0.527985 0.160969 Li\n0.440461 0.027985 0.339031 Li\n0.831935 0.490853 0.617239 Cu\n0.168065 0.990853 0.882761 Cu\n0.168065 0.509147 0.382761 Cu\n0.831935 0.009147 0.117239 Cu\n0.820626 0.393583 0.062964 H\n0.179374 0.893583 0.437036 H\n0.820626 0.106418 0.562964 H\n0.606797 0.311370 0.057232 H\n0.393203 0.811370 0.442768 H\n0.393203 0.688630 0.942768 H\n0.606797 0.188630 0.557232 H\n0.179374 0.606418 0.937036 H\n0.835928 0.711597 0.236076 H\n0.835928 0.788403 0.736076 H\n0.164072 0.288403 0.763924 H\n0.114506 0.146055 0.402315 H\n0.885494 0.646056 0.097685 H\n0.885494 0.853945 0.597685 H\n0.114506 0.353945 0.902315 H\n0.164072 0.211597 0.263924 H\n0.884799 0.379010 0.414757 Cl\n0.115201 0.879010 0.085243 Cl\n0.115201 0.620990 0.585243 Cl\n0.884799 0.120990 0.914757 Cl\n0.201642 0.392903 0.177982 Cl\n0.798358 0.892903 0.322018 Cl\n0.798358 0.607097 0.822018 Cl\n0.532376 0.132705 0.122851 Cl\n0.467624 0.632705 0.377149 Cl\n0.467624 0.867295 0.877149 Cl\n0.532376 0.367295 0.622851 Cl\n0.201642 0.107097 0.677982 Cl\n0.351448 0.894908 0.465614 O\n0.154659 0.369751 0.808574 O\n0.845341 0.869751 0.691426 O\n0.845341 0.630250 0.191426 O\n0.154659 0.130250 0.308574 O\n0.648552 0.105092 0.534386 O\n0.351448 0.605092 0.965614 O\n0.648552 0.394908 0.034386 O\n",
"nsites": 44,
"nelements": 5,
"elements": [
"Li",
"Cu",
"H",
"Cl",
"O"
],
"chemical_system": "Cl-Cu-H-Li-O",
"density": 2.4778294907487854,
"density_atomic": 0.07710582027207442,
"volume": 570.6443410463992,
"volume_molar": 7.810228512906503,
"formula_full": "Li4 Cu4 H16 Cl12 O8",
"formula_reduced": "LiCuH4Cl3O2",
"formula_anonymous": "ABC2D3E4",
"energy_above_hull": 1.6270799684090906,
"spacegroup": 14
},
{
"id": "jvasp-88299",
"created_at": "2022-09-04T14:36:14.396917Z",
"updated_at": "2022-09-04T14:36:14.396945Z",
"structure_string": "K4 Cu4 C8 N8\n1.0\n7.301885 -0.011324 0.000000\n-1.584132 7.394302 0.000000\n0.000000 0.000000 7.657830\nK Cu C N\n4 4 8 8\ndirect\n0.687910 0.304960 0.928857 K\n0.812091 0.695040 0.428856 K\n0.312091 0.695040 0.071143 K\n0.187910 0.304960 0.571143 K\n0.590930 0.110848 0.378955 Cu\n0.409071 0.889152 0.621045 Cu\n0.090929 0.110848 0.121045 Cu\n0.909072 0.889152 0.878955 Cu\n0.228859 0.061541 0.922452 C\n0.771142 0.938460 0.077548 C\n0.029930 0.330405 0.199239 C\n0.470070 0.669596 0.699239 C\n0.970071 0.669596 0.800761 C\n0.529931 0.330405 0.300761 C\n0.728860 0.061541 0.577548 C\n0.271141 0.938459 0.422452 C\n0.997686 0.531224 0.749060 N\n0.502315 0.468777 0.249060 N\n0.840451 0.037643 0.681693 N\n0.659551 0.962358 0.181693 N\n0.002315 0.468777 0.250940 N\n0.159550 0.962357 0.318307 N\n0.497686 0.531224 0.750940 N\n0.340451 0.037643 0.818307 N\n",
"nsites": 24,
"nelements": 4,
"elements": [
"K",
"Cu",
"C",
"N"
],
"chemical_system": "C-Cu-K-N",
"density": 2.485691044487774,
"density_atomic": 0.05806543234716194,
"volume": 413.32681132052306,
"volume_molar": 10.371300990225631,
"formula_full": "K4 Cu4 C8 N8",
"formula_reduced": "KCu(CN)2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.859612491666666,
"spacegroup": 14
},
{
"id": "jvasp-62546",
"created_at": "2022-09-04T14:36:14.127246Z",
"updated_at": "2022-09-04T14:36:14.127255Z",
"structure_string": "Sr4 B8 S16\n1.0\n0.000000 6.105574 0.038582\n14.199211 0.000000 0.000000\n0.000000 -2.238245 -6.084623\nSr B S\n4 8 16\ndirect\n0.195691 0.897618 0.311731 Sr\n0.304308 0.397618 0.688269 Sr\n0.804308 0.102382 0.688269 Sr\n0.695690 0.602382 0.311731 Sr\n0.068369 0.584334 0.965076 B\n0.431630 0.084334 0.034923 B\n0.568369 0.915666 0.965077 B\n0.931630 0.415666 0.034923 B\n0.181510 0.227680 0.232239 B\n0.681510 0.272320 0.232239 B\n0.818488 0.772320 0.767761 B\n0.318489 0.727680 0.767761 B\n0.827910 0.900711 0.866812 S\n0.059935 0.303705 0.971756 S\n0.440064 0.803705 0.028243 S\n0.327910 0.599289 0.866812 S\n0.172089 0.099289 0.133188 S\n0.672089 0.400711 0.133188 S\n0.502743 0.738021 0.580691 S\n0.851354 0.492314 0.764894 S\n0.497256 0.261979 0.419309 S\n0.002743 0.761979 0.580691 S\n0.148645 0.507686 0.235106 S\n0.351354 0.007686 0.764894 S\n0.559935 0.196295 0.971756 S\n0.648645 0.992314 0.235106 S\n0.997256 0.238021 0.419309 S\n0.940063 0.696295 0.028244 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Sr",
"B",
"S"
],
"chemical_system": "B-S-Sr",
"density": 2.997524019751717,
"density_atomic": 0.053204007163160115,
"volume": 526.2761489775145,
"volume_molar": 11.318960884904724,
"formula_full": "Sr4 B8 S16",
"formula_reduced": "Sr(BS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.451264496666667,
"spacegroup": 14
},
{
"id": "jvasp-96631",
"created_at": "2022-09-04T14:36:14.133662Z",
"updated_at": "2022-09-04T14:36:14.133681Z",
"structure_string": "Er8 S8 O4\n1.0\n6.705479 0.000000 -1.140010\n0.000000 6.819105 0.000000\n-0.003320 0.000000 8.183673\nEr S O\n8 8 4\ndirect\n0.177187 0.355012 0.424205 Er\n0.822813 0.644989 0.575794 Er\n0.677188 0.144988 0.424205 Er\n0.250868 0.446011 0.862037 Er\n0.249132 0.946011 0.137963 Er\n0.749132 0.553990 0.137963 Er\n0.750868 0.053990 0.862037 Er\n0.322813 0.855012 0.575794 Er\n0.420984 0.631745 0.318221 S\n0.079016 0.131745 0.681779 S\n0.579016 0.368255 0.681779 S\n0.969530 0.722088 0.923960 S\n0.530470 0.222088 0.076040 S\n0.030470 0.277912 0.076040 S\n0.469530 0.777913 0.923960 S\n0.920984 0.868256 0.318221 S\n0.650005 0.913016 0.616714 O\n0.849996 0.413015 0.383285 O\n0.349996 0.086985 0.383285 O\n0.150004 0.586985 0.616714 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Er",
"S",
"O"
],
"chemical_system": "Er-O-S",
"density": 7.360588487745806,
"density_atomic": 0.05345083553515478,
"volume": 374.17562887012195,
"volume_molar": 11.26669153008697,
"formula_full": "Er8 S8 O4",
"formula_reduced": "Er2S2O",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.3329806999999998,
"spacegroup": 14
},
{
"id": "jvasp-99318",
"created_at": "2022-09-04T14:36:32.820433Z",
"updated_at": "2022-09-04T14:36:32.820455Z",
"structure_string": "Er4 Pt4 F28\n1.0\n5.375335 0.000000 0.000000\n0.000000 8.304495 -2.592377\n0.000000 0.054789 11.046861\nEr Pt F\n4 4 28\ndirect\n0.236795 0.423128 0.236705 Er\n0.736795 0.076872 0.263295 Er\n0.263204 0.923127 0.736705 Er\n0.763204 0.576872 0.763295 Er\n0.259595 0.270896 0.541668 Pt\n0.759594 0.229104 0.958332 Pt\n0.740405 0.729104 0.458332 Pt\n0.240405 0.770896 0.041668 Pt\n0.900642 0.304079 0.269174 F\n0.953528 0.350286 0.635668 F\n0.099357 0.695920 0.730825 F\n0.599356 0.804079 0.769174 F\n0.559591 0.575357 0.321156 F\n0.059591 0.924642 0.178843 F\n0.440408 0.424642 0.678843 F\n0.940408 0.075358 0.821156 F\n0.453529 0.149714 0.864331 F\n0.400643 0.195920 0.230826 F\n0.571427 0.386406 0.089917 F\n0.246709 0.432132 0.449936 F\n0.071428 0.113594 0.410083 F\n0.428572 0.613593 0.910083 F\n0.928571 0.886406 0.589917 F\n0.575998 0.192822 0.456826 F\n0.075998 0.307178 0.043174 F\n0.424001 0.807178 0.543174 F\n0.046471 0.649713 0.364331 F\n0.924001 0.692822 0.956825 F\n0.709137 0.886202 0.363149 F\n0.790862 0.386202 0.863149 F\n0.290862 0.113798 0.636850 F\n0.253291 0.932132 0.949936 F\n0.753290 0.567867 0.550063 F\n0.746708 0.067868 0.050064 F\n0.209137 0.613798 0.136850 F\n0.546471 0.850286 0.135668 F\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Er",
"Pt",
"F"
],
"chemical_system": "Er-F-Pt",
"density": 6.661557671912634,
"density_atomic": 0.07289084319384802,
"volume": 493.889196812562,
"volume_molar": 8.261861841801643,
"formula_full": "Er4 Pt4 F28",
"formula_reduced": "ErPtF7",
"formula_anonymous": "ABC7",
"energy_above_hull": 0.086923708611111,
"spacegroup": 14
},
{
"id": "jvasp-91246",
"created_at": "2022-09-04T14:36:14.618998Z",
"updated_at": "2022-09-04T14:36:14.619025Z",
"structure_string": "Zn4 P8 Pb4 O28\n1.0\n5.359748 0.000000 0.006153\n0.000000 8.327505 0.000000\n0.019718 0.000000 12.912677\nZn P Pb O\n4 8 4 28\ndirect\n0.169308 0.850620 0.894141 Zn\n0.830693 0.149379 0.105859 Zn\n0.669308 0.649379 0.394141 Zn\n0.330693 0.350621 0.605859 Zn\n0.750630 0.534309 0.162291 P\n0.678033 0.801085 0.018524 P\n0.178033 0.698915 0.518524 P\n0.749370 0.034309 0.337709 P\n0.249370 0.465691 0.837709 P\n0.250630 0.965691 0.662291 P\n0.321967 0.198915 0.981476 P\n0.821967 0.301085 0.481476 P\n0.790635 0.171564 0.779990 Pb\n0.290634 0.328436 0.279990 Pb\n0.209366 0.828435 0.220010 Pb\n0.709366 0.671564 0.720010 Pb\n0.396407 0.833136 0.022047 O\n0.103594 0.333136 0.477953 O\n0.603594 0.166863 0.977953 O\n0.896407 0.666863 0.522047 O\n0.720252 0.614068 0.048966 O\n0.779748 0.114069 0.451034 O\n0.021741 0.556947 0.195266 O\n0.796999 0.816656 0.910772 O\n0.478259 0.056948 0.304734 O\n0.978260 0.443052 0.804734 O\n0.521742 0.943052 0.695266 O\n0.672991 0.358783 0.151495 O\n0.827009 0.858782 0.348504 O\n0.327009 0.641217 0.848505 O\n0.172991 0.141217 0.651496 O\n0.566763 0.620356 0.235546 O\n0.220252 0.885931 0.548966 O\n0.933238 0.120357 0.264454 O\n0.066763 0.879643 0.735546 O\n0.817223 0.901152 0.100633 O\n0.682777 0.401152 0.399367 O\n0.182777 0.098848 0.899367 O\n0.317223 0.598847 0.600633 O\n0.296999 0.683343 0.410772 O\n0.203002 0.183344 0.089228 O\n0.703002 0.316656 0.589228 O\n0.433238 0.379643 0.764454 O\n0.279748 0.385931 0.951034 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Zn",
"P",
"Pb",
"O"
],
"chemical_system": "O-P-Pb-Zn",
"density": 5.146436794354941,
"density_atomic": 0.0763445214510515,
"volume": 576.3347410358806,
"volume_molar": 7.888111216809593,
"formula_full": "Zn4 P8 Pb4 O28",
"formula_reduced": "ZnP2PbO7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.174024247272727,
"spacegroup": 14
},
{
"id": "jvasp-91493",
"created_at": "2022-09-04T14:36:14.708274Z",
"updated_at": "2022-09-04T14:36:14.708303Z",
"structure_string": "Cu8 Se4 O16\n1.0\n5.978929 0.000000 0.000000\n0.000000 7.083881 -0.273800\n0.000000 -0.010302 8.453628\nCu Se O\n8 4 16\ndirect\n0.698759 0.252615 0.757610 Cu\n0.198759 0.247385 0.742390 Cu\n0.301241 0.747385 0.242390 Cu\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 -0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.801241 0.752615 0.257610 Cu\n0.576309 0.733467 0.898204 Se\n0.423691 0.266534 0.101797 Se\n0.076309 0.766534 0.601797 Se\n0.923692 0.233466 0.398204 Se\n0.210495 0.418344 0.163270 O\n0.433229 0.316970 0.898196 O\n0.710495 0.081656 0.336730 O\n0.214939 0.552673 0.600879 O\n0.040445 0.752917 0.095167 O\n0.066771 0.816970 0.398196 O\n0.785061 0.447327 0.399121 O\n0.285061 0.052673 0.100879 O\n0.289505 0.918344 0.663270 O\n0.789505 0.581656 0.836730 O\n0.540445 0.747083 0.404833 O\n0.933229 0.183030 0.601804 O\n0.566771 0.683030 0.101804 O\n0.714939 0.947327 0.899121 O\n0.959555 0.247083 0.904833 O\n0.459555 0.252917 0.595167 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Cu",
"Se",
"O"
],
"chemical_system": "Cu-O-Se",
"density": 5.009971989347532,
"density_atomic": 0.07820611315015501,
"volume": 358.0282777414121,
"volume_molar": 7.700345302211281,
"formula_full": "Cu8 Se4 O16",
"formula_reduced": "Cu2SeO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.555436895238095,
"spacegroup": 14
}
]
}