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=volume&page=4509",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=4507",
"results": [
{
"id": "jvasp-98032",
"created_at": "2022-09-04T14:35:54.027658Z",
"updated_at": "2022-09-04T14:35:54.027678Z",
"structure_string": "Nd8 Sn12\n1.0\n6.401052 -0.012741 -0.761963\n-1.810754 7.938061 -2.544466\n-0.001847 -0.005498 11.215292\nNd Sn\n8 12\ndirect\n0.126322 0.754540 0.385111 Nd\n0.332585 0.032590 0.745231 Nd\n0.667415 0.967409 0.254768 Nd\n0.554639 0.429220 0.336434 Nd\n0.445361 0.570780 0.663566 Nd\n0.959602 0.252626 0.056774 Nd\n0.040398 0.747373 0.943225 Nd\n0.873678 0.245460 0.614889 Nd\n0.825430 0.964481 0.777084 Sn\n0.174570 0.035518 0.222916 Sn\n0.561442 0.830892 0.947557 Sn\n0.221850 0.406159 0.863178 Sn\n0.778150 0.593841 0.136822 Sn\n0.323217 0.602255 0.139971 Sn\n0.676782 0.397745 0.860029 Sn\n0.356122 0.166124 0.500495 Sn\n0.643877 0.833876 0.499504 Sn\n0.438558 0.169108 0.052443 Sn\n0.044099 0.353099 0.379309 Sn\n0.955900 0.646900 0.620691 Sn\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Nd",
"Sn"
],
"chemical_system": "Nd-Sn",
"density": 7.518172952331497,
"density_atomic": 0.03511830009324285,
"volume": 569.5036475825384,
"volume_molar": 17.1481556453774,
"formula_full": "Nd8 Sn12",
"formula_reduced": "Nd2Sn3",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.8177556200000002,
"spacegroup": 2
},
{
"id": "jvasp-58891",
"created_at": "2022-09-04T14:37:16.720972Z",
"updated_at": "2022-09-04T14:37:16.721003Z",
"structure_string": "Rb12 Cu4 O8\n1.0\n0.000000 6.727831 -0.010800\n9.711600 0.000000 0.000000\n0.000000 -3.524069 -8.716427\nRb Cu O\n12 4 8\ndirect\n0.238618 0.709614 0.312267 Rb\n0.245415 0.464029 0.005133 Rb\n0.245415 0.035971 0.505133 Rb\n0.754585 0.535971 0.994868 Rb\n0.734687 0.522380 0.375108 Rb\n0.265313 0.022380 0.124892 Rb\n0.754585 0.964029 0.494868 Rb\n0.734687 0.977620 0.875108 Rb\n0.238618 0.790386 0.812267 Rb\n0.761382 0.290386 0.687734 Rb\n0.761382 0.209614 0.187733 Rb\n0.265313 0.477620 0.624893 Rb\n0.292227 0.320437 0.327222 Cu\n0.707773 0.820437 0.172778 Cu\n0.707773 0.679563 0.672778 Cu\n0.292227 0.179563 0.827222 Cu\n0.512379 0.302008 0.879330 O\n0.067710 0.060537 0.777940 O\n0.932290 0.560537 0.722061 O\n0.932290 0.939463 0.222061 O\n0.067710 0.439463 0.277940 O\n0.487621 0.697992 0.120670 O\n0.512379 0.197992 0.379330 O\n0.487621 0.802008 0.620670 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Rb",
"Cu",
"O"
],
"chemical_system": "Cu-O-Rb",
"density": 4.10205715952172,
"density_atomic": 0.04211386612360988,
"volume": 569.8835611424694,
"volume_molar": 14.299662591708406,
"formula_full": "Rb12 Cu4 O8",
"formula_reduced": "Rb3CuO2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.1228205833333334,
"spacegroup": 14
},
{
"id": "jvasp-13407",
"created_at": "2022-09-04T14:37:10.871190Z",
"updated_at": "2022-09-04T14:37:10.871209Z",
"structure_string": "Rb12 Cu4 O8\n1.0\n0.000000 6.727923 -0.010633\n9.711117 0.000000 0.000000\n0.000000 -3.524336 -8.717089\nRb Cu O\n12 4 8\ndirect\n0.238575 0.709622 0.312260 Rb\n0.245415 0.463997 0.005125 Rb\n0.245415 0.036004 0.505125 Rb\n0.754584 0.536004 0.994875 Rb\n0.734656 0.522363 0.375120 Rb\n0.265343 0.022363 0.124879 Rb\n0.754584 0.963997 0.494875 Rb\n0.734656 0.977637 0.875120 Rb\n0.238575 0.790378 0.812260 Rb\n0.761423 0.290378 0.687740 Rb\n0.761424 0.209622 0.187740 Rb\n0.265342 0.477637 0.624879 Rb\n0.292253 0.320420 0.327241 Cu\n0.707746 0.820420 0.172758 Cu\n0.707745 0.679580 0.672759 Cu\n0.292253 0.179580 0.827241 Cu\n0.512428 0.302015 0.879334 O\n0.067745 0.060550 0.777963 O\n0.932253 0.560551 0.722037 O\n0.932254 0.939450 0.222037 O\n0.067745 0.439450 0.277963 O\n0.487571 0.697985 0.120666 O\n0.512428 0.197985 0.379334 O\n0.487571 0.802016 0.620666 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Rb",
"Cu",
"O"
],
"chemical_system": "Cu-O-Rb",
"density": 4.101934729475781,
"density_atomic": 0.04211260919266922,
"volume": 569.900570401556,
"volume_molar": 14.300089392343585,
"formula_full": "Rb12 Cu4 O8",
"formula_reduced": "Rb3CuO2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.1228072500000001,
"spacegroup": 14
},
{
"id": "jvasp-98086",
"created_at": "2022-09-04T14:35:45.052269Z",
"updated_at": "2022-09-04T14:35:45.052297Z",
"structure_string": "Ba4 Na2 Ca1 Ti3 Si4 S2 O26\n1.0\n5.448050 0.003106 -0.459791\n-0.095689 7.084608 -1.104709\n0.024422 0.025087 14.759913\nBa Na Ca Ti Si S O\n4 2 1 3 4 2 26\ndirect\n0.415060 0.167827 0.618901 Ba\n0.933045 0.704918 0.705194 Ba\n0.001518 0.996448 0.016279 Ba\n0.483234 0.458242 0.930332 Ba\n0.708850 0.577144 0.317726 Na\n0.207903 0.317827 0.318120 Na\n0.209770 0.856863 0.317493 Ca\n0.391019 0.643591 0.520381 Ti\n0.709211 0.093660 0.318054 Ti\n0.025519 0.520693 0.114877 Ti\n0.529373 0.241088 0.128412 Si\n0.885816 0.922871 0.508026 Si\n0.530708 0.804939 0.125376 Si\n0.887422 0.358462 0.509195 Si\n0.953091 0.283132 0.795009 S\n0.462878 0.880151 0.840528 S\n0.247871 0.785142 0.872329 O\n0.168290 0.377799 0.763172 O\n0.546625 0.838391 0.235861 O\n0.967334 0.051335 0.242995 O\n0.271880 0.696922 0.078779 O\n0.546153 0.273679 0.238897 O\n0.368960 0.611867 0.403810 O\n0.439578 0.850921 0.737388 O\n0.692385 0.785237 0.872113 O\n0.870843 0.889355 0.397665 O\n0.451174 0.096092 0.393233 O\n0.762292 0.323091 0.081790 O\n0.047602 0.562740 0.231423 O\n0.976187 0.312747 0.898191 O\n0.870492 0.324090 0.398571 O\n0.654220 0.841368 0.555408 O\n0.143267 0.841865 0.553749 O\n0.273073 0.322291 0.082551 O\n0.763649 0.695940 0.076947 O\n0.653147 0.467521 0.556715 O\n0.145114 0.466793 0.555805 O\n0.471634 0.081469 0.879648 O\n0.943911 0.081757 0.756123 O\n0.899998 0.153545 0.551020 O\n0.723819 0.378245 0.763298 O\n0.516876 0.010869 0.084514 O\n",
"nsites": 42,
"nelements": 7,
"elements": [
"Ba",
"Na",
"Ca",
"Ti",
"Si",
"S",
"O"
],
"chemical_system": "Ba-Ca-Na-O-S-Si-Ti",
"density": 3.9957652648864115,
"density_atomic": 0.07369342661798843,
"volume": 569.9287158638906,
"volume_molar": 8.171883214519987,
"formula_full": "Ba4 Na2 Ca1 Ti3 Si4 S2 O26",
"formula_reduced": "Ba4Na2CaTi3Si4(SO13)2",
"formula_anonymous": "AB2C2D3E4F4G26",
"energy_above_hull": 2.642633873809524,
"spacegroup": 1
},
{
"id": "jvasp-95284",
"created_at": "2022-09-04T14:36:00.437065Z",
"updated_at": "2022-09-04T14:36:00.437094Z",
"structure_string": "Sr4 Mg4 P12 N20 O8\n1.0\n6.143602 0.000000 -3.312996\n0.000000 6.656926 0.000000\n-0.007196 0.000000 13.948888\nSr Mg P N O\n4 4 12 20 8\ndirect\n0.482291 0.250972 0.604175 Sr\n0.517708 0.750972 0.895825 Sr\n0.517708 0.749029 0.395825 Sr\n0.482291 0.249029 0.104175 Sr\n0.020535 0.493106 0.885133 Mg\n0.979464 0.993107 0.614867 Mg\n0.979464 0.506894 0.114867 Mg\n0.020535 0.006894 0.385133 Mg\n0.276315 0.259812 0.289098 P\n0.723684 0.759812 0.210902 P\n0.723684 0.740189 0.710902 P\n0.276315 0.240189 0.789098 P\n0.259893 0.776176 0.089784 P\n0.740106 0.276176 0.410216 P\n0.259893 0.723825 0.589784 P\n0.064859 0.517234 0.380750 P\n0.935140 0.017233 0.119249 P\n0.935140 0.482767 0.619249 P\n0.064859 0.982767 0.880750 P\n0.740106 0.223825 0.910216 P\n0.178412 0.477110 0.303221 N\n0.728263 0.080855 0.001693 N\n0.271736 0.580855 0.498306 N\n0.271736 0.919146 0.998306 N\n0.728263 0.419146 0.501693 N\n0.513753 0.298401 0.297287 N\n0.486247 0.798401 0.202713 N\n0.486246 0.701600 0.702713 N\n0.513752 0.201599 0.797287 N\n0.821587 0.977110 0.196779 N\n0.052613 0.811463 0.111379 N\n0.178412 0.022891 0.803221 N\n0.821587 0.522891 0.696779 N\n0.947386 0.188537 0.888621 N\n0.947386 0.311463 0.388621 N\n0.052613 0.688538 0.611379 N\n0.893885 0.794772 0.838803 N\n0.893886 0.705229 0.338803 N\n0.106114 0.205228 0.161197 N\n0.106113 0.294772 0.661197 N\n0.711196 0.592168 0.129088 O\n0.221119 0.949595 0.550173 O\n0.778879 0.449595 0.949827 O\n0.778880 0.050406 0.449827 O\n0.221120 0.550406 0.050173 O\n0.288803 0.407833 0.870911 O\n0.711195 0.907833 0.629088 O\n0.288804 0.092168 0.370911 O\n",
"nsites": 48,
"nelements": 5,
"elements": [
"Sr",
"Mg",
"P",
"N",
"O"
],
"chemical_system": "Mg-N-O-P-Sr",
"density": 3.57404584528189,
"density_atomic": 0.08416386734948819,
"volume": 570.3159979647952,
"volume_molar": 7.155256702966398,
"formula_full": "Sr4 Mg4 P12 N20 O8",
"formula_reduced": "SrMgP3N5O2",
"formula_anonymous": "ABC2D3E5",
"energy_above_hull": 3.7513945925,
"spacegroup": 14
},
{
"id": "jvasp-96071",
"created_at": "2022-09-04T14:35:58.529860Z",
"updated_at": "2022-09-04T14:35:58.529884Z",
"structure_string": "Eu2 Al4 Cl16\n1.0\n6.800734 0.000000 0.000000\n0.000000 6.444818 -0.346929\n0.000000 0.285827 12.999106\nEu Al Cl\n2 4 16\ndirect\n0.175887 0.500000 0.250000 Eu\n0.824112 0.500001 0.750000 Eu\n0.258048 0.665561 0.912429 Al\n0.258048 0.334440 0.587571 Al\n0.741952 0.334440 0.087571 Al\n0.741952 0.665561 0.412429 Al\n0.845572 0.645287 0.128530 Cl\n0.154427 0.354714 0.871470 Cl\n0.154427 0.645287 0.628530 Cl\n0.491510 0.233518 0.178309 Cl\n0.491510 0.766483 0.321692 Cl\n0.508489 0.766483 0.821692 Cl\n0.508489 0.233518 0.678309 Cl\n0.001459 0.840974 0.371338 Cl\n0.998540 0.840975 0.871339 Cl\n0.660984 0.289085 0.926976 Cl\n0.660984 0.710916 0.573024 Cl\n0.339015 0.710916 0.073024 Cl\n0.339015 0.289085 0.426976 Cl\n0.845572 0.354714 0.371470 Cl\n0.001459 0.159026 0.128662 Cl\n0.998540 0.159026 0.628662 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Eu",
"Al",
"Cl"
],
"chemical_system": "Al-Cl-Eu",
"density": 2.850253109249881,
"density_atomic": 0.03856816755995973,
"volume": 570.4185962633006,
"volume_molar": 15.614277630996392,
"formula_full": "Eu2 Al4 Cl16",
"formula_reduced": "Eu(AlCl4)2",
"formula_anonymous": "AB2C8",
"energy_above_hull": 0.4725125581818182,
"spacegroup": 13
},
{
"id": "jvasp-61567",
"created_at": "2022-09-04T14:36:15.148359Z",
"updated_at": "2022-09-04T14:36:15.148367Z",
"structure_string": "Sr12 Al8 N16\n1.0\n5.936400 0.000000 0.000000\n-0.000000 9.574946 0.000000\n0.000000 0.000000 10.035558\nSr Al N\n12 8 16\ndirect\n0.882761 0.915301 0.655335 Sr\n0.617239 0.915301 0.344666 Sr\n0.617239 0.584700 0.155334 Sr\n0.882761 0.584700 0.844666 Sr\n0.117239 0.084700 0.344666 Sr\n0.382761 0.084700 0.655335 Sr\n0.382761 0.415300 0.844666 Sr\n0.117239 0.415300 0.155334 Sr\n0.750000 0.904294 0.000000 Sr\n0.750000 0.595707 0.500000 Sr\n0.250000 0.095706 0.000000 Sr\n0.250000 0.404294 0.500000 Sr\n0.332039 0.750000 0.750000 Al\n0.167961 0.750000 0.250000 Al\n0.832039 0.250000 0.750000 Al\n0.667961 0.250000 0.250000 Al\n0.250000 0.770386 0.000000 Al\n0.750000 0.270386 0.500000 Al\n0.750000 0.229614 0.000000 Al\n0.250000 0.729615 0.500000 Al\n0.481005 0.670600 0.903342 N\n0.018995 0.670600 0.096658 N\n0.981005 0.170600 0.596658 N\n0.518995 0.170600 0.403342 N\n0.518995 0.329400 0.096658 N\n0.981005 0.329400 0.903342 N\n0.367334 0.627238 0.353525 N\n0.132666 0.872763 0.853526 N\n0.367334 0.872763 0.146475 N\n0.632666 0.372763 0.646475 N\n0.867334 0.372763 0.353525 N\n0.867334 0.127237 0.146475 N\n0.632666 0.127237 0.853526 N\n0.481005 0.829400 0.596658 N\n0.132666 0.627238 0.646475 N\n0.018995 0.829400 0.403342 N\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Sr",
"Al",
"N"
],
"chemical_system": "Al-N-Sr",
"density": 4.341522720504164,
"density_atomic": 0.0631104803544361,
"volume": 570.4282362900684,
"volume_molar": 9.542219812270366,
"formula_full": "Sr12 Al8 N16",
"formula_reduced": "Sr3(AlN2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.794243058888889,
"spacegroup": 52
},
{
"id": "jvasp-100309",
"created_at": "2022-09-04T14:36:31.378292Z",
"updated_at": "2022-09-04T14:36:31.378316Z",
"structure_string": "Ba8 Pt2\n1.0\n8.062161 0.000000 4.654691\n2.687387 7.601079 4.654691\n-0.000000 -0.000000 9.309382\nBa Pt\n8 2\ndirect\n0.379398 0.379398 0.379398 Ba\n0.379398 0.379398 0.861807 Ba\n0.379398 0.861808 0.379397 Ba\n0.870602 0.870602 0.388192 Ba\n0.870602 0.870602 0.870602 Ba\n0.861808 0.379398 0.379397 Ba\n0.870602 0.388192 0.870602 Ba\n0.388193 0.870602 0.870602 Ba\n0.000000 0.000000 0.000000 Pt\n0.250000 0.250000 0.250000 Pt\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ba",
"Pt"
],
"chemical_system": "Ba-Pt",
"density": 4.333444370614064,
"density_atomic": 0.017528810078887153,
"volume": 570.4893803398928,
"volume_molar": 34.35567350492011,
"formula_full": "Ba8 Pt2",
"formula_reduced": "Ba4Pt",
"formula_anonymous": "AB4",
"energy_above_hull": 0.314133056,
"spacegroup": 227
},
{
"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-12186",
"created_at": "2022-09-04T14:37:05.175055Z",
"updated_at": "2022-09-04T14:37:05.175079Z",
"structure_string": "Si8 As16\n1.0\n15.011172 0.000000 0.000000\n0.000000 10.242490 0.000000\n0.000000 0.000000 3.711829\nSi As\n8 16\ndirect\n0.264886 0.196155 0.500001 Si\n0.735115 0.803844 0.500001 Si\n0.764885 0.303845 0.500001 Si\n0.235115 0.696155 0.500001 Si\n0.143661 0.413529 0.000000 Si\n0.856340 0.586470 0.000000 Si\n0.643660 0.086470 0.000000 Si\n0.356339 0.913529 0.000000 Si\n0.704909 0.658886 0.000000 As\n0.295090 0.341115 0.000000 As\n0.106712 0.553566 0.500001 As\n0.893288 0.446433 0.500001 As\n0.606711 0.946432 0.500001 As\n0.393288 0.053567 0.500001 As\n0.458439 0.730551 0.000000 As\n0.386575 0.600467 0.500001 As\n0.958439 0.769449 0.000000 As\n0.041561 0.230551 0.000000 As\n0.795090 0.158886 0.000000 As\n0.613424 0.399533 0.500001 As\n0.886576 0.899534 0.500001 As\n0.113424 0.100467 0.500001 As\n0.541560 0.269450 0.000000 As\n0.204910 0.841114 0.000000 As\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Si",
"As"
],
"chemical_system": "As-Si",
"density": 4.14168418652534,
"density_atomic": 0.04205359533904488,
"volume": 570.7003124585896,
"volume_molar": 14.3201567225067,
"formula_full": "Si8 As16",
"formula_reduced": "SiAs2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.2806273666666668,
"spacegroup": 55
},
{
"id": "jvasp-112127",
"created_at": "2022-09-04T14:38:44.816631Z",
"updated_at": "2022-09-04T14:38:44.816658Z",
"structure_string": "H44 C28\n1.0\n6.182852 -0.017490 0.000000\n-0.974284 9.436984 -0.000002\n0.000000 -0.000002 9.783932\nH C\n44 28\ndirect\n0.729423 0.159316 0.429774 H\n0.097016 0.454073 0.277325 H\n0.902985 0.545927 0.722674 H\n0.402984 0.045927 0.777325 H\n0.597016 0.954072 0.222674 H\n0.129853 0.398552 0.449087 H\n0.870147 0.601448 0.550913 H\n0.370147 0.101449 0.949086 H\n0.629853 0.898551 0.050914 H\n0.033381 0.085566 0.123995 H\n0.966619 0.914434 0.876005 H\n0.466620 0.414433 0.623995 H\n0.035101 0.269557 0.085885 H\n0.964900 0.730442 0.914114 H\n0.464900 0.230443 0.585886 H\n0.535101 0.769558 0.414115 H\n0.814314 0.179752 0.178732 H\n0.185688 0.820248 0.821268 H\n0.685686 0.320248 0.678732 H\n0.314312 0.679752 0.321267 H\n0.372017 0.866312 0.132833 H\n0.627984 0.133687 0.867167 H\n0.533381 0.585565 0.376005 H\n0.872016 0.366313 0.367167 H\n0.127984 0.633687 0.632833 H\n0.270577 0.840684 0.570226 H\n0.770578 0.340684 0.929773 H\n0.229425 0.659315 0.070226 H\n0.372007 0.026497 0.403896 H\n0.127994 0.473503 0.903896 H\n0.872008 0.526496 0.096104 H\n0.456865 0.278058 0.356630 H\n0.543136 0.721942 0.643370 H\n0.627993 0.973504 0.596104 H\n0.956865 0.778058 0.143370 H\n0.392089 0.336015 0.190690 H\n0.607912 0.663986 0.809310 H\n0.107912 0.163986 0.690690 H\n0.892088 0.836014 0.309310 H\n0.417498 0.154219 0.219054 H\n0.582503 0.845782 0.780946 H\n0.082502 0.345782 0.719054 H\n0.043135 0.221942 0.856630 H\n0.917498 0.654218 0.280946 H\n0.615663 0.727597 0.202575 C\n0.360054 0.249425 0.264527 C\n0.639944 0.750575 0.735473 C\n0.139946 0.250576 0.764527 C\n0.860056 0.749424 0.235473 C\n0.548550 0.869671 0.148487 C\n0.951451 0.630327 0.648487 C\n0.451450 0.130327 0.851513 C\n0.991232 0.187879 0.163544 C\n0.384338 0.272404 0.797425 C\n0.008770 0.812121 0.836457 C\n0.048550 0.369672 0.351513 C\n0.884338 0.772402 0.702576 C\n0.559501 0.610086 0.097302 C\n0.707848 0.517173 0.054603 C\n0.292151 0.482826 0.945398 C\n0.792152 0.982827 0.554603 C\n0.207849 0.017174 0.445397 C\n0.350484 0.589668 0.040529 C\n0.649515 0.410331 0.959472 C\n0.149517 0.910332 0.540528 C\n0.850484 0.089669 0.459472 C\n0.440499 0.389917 0.902696 C\n0.940499 0.889915 0.597303 C\n0.059501 0.110084 0.402697 C\n0.508769 0.312121 0.663544 C\n0.115662 0.227596 0.297426 C\n0.491231 0.687878 0.336457 C\n",
"nsites": 72,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.1075544922571992,
"density_atomic": 0.1261606315413199,
"volume": 570.7010112454826,
"volume_molar": 4.7733914188814435,
"formula_full": "H44 C28",
"formula_reduced": "H11C7",
"formula_anonymous": "A7B11",
"energy_above_hull": 4.919318888888889,
"spacegroup": 14
},
{
"id": "jvasp-91456",
"created_at": "2022-09-04T14:36:21.864510Z",
"updated_at": "2022-09-04T14:36:21.864536Z",
"structure_string": "Na8 In4 Ni4 F28\n1.0\n7.352835 0.000000 0.000000\n0.000000 7.516630 0.000000\n0.000000 0.000000 10.327500\nNa In Ni F\n8 4 4 28\ndirect\n0.000000 0.500000 0.000000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.500000 0.000000 0.500000 Na\n0.250000 0.249870 0.771154 Na\n0.250000 0.250130 0.271154 Na\n0.750000 0.749870 0.728846 Na\n0.750000 0.750130 0.228846 Na\n0.250000 0.777085 0.767992 In\n0.750000 0.222915 0.232008 In\n0.750000 0.277085 0.732008 In\n0.250000 0.722915 0.267992 In\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 0.000000 Ni\n0.449646 0.802393 0.125926 F\n0.750000 0.472935 0.140166 F\n0.250000 0.527065 0.859834 F\n0.250000 0.497631 0.150801 F\n0.750000 0.502369 0.849199 F\n0.750000 -0.002369 0.349199 F\n0.250000 0.002369 0.650801 F\n0.250000 0.487178 0.425898 F\n0.750000 0.512822 0.574101 F\n0.750000 0.987178 0.074101 F\n0.250000 0.012822 0.925898 F\n0.949647 0.197607 0.874074 F\n0.050354 0.697607 0.625926 F\n0.010737 0.305445 0.632963 F\n0.050354 0.802393 0.125926 F\n0.550354 0.197607 0.874074 F\n0.949647 0.302393 0.374074 F\n0.449646 0.697607 0.625926 F\n0.989264 0.805445 0.867037 F\n0.489263 0.194555 0.132963 F\n0.750000 0.027065 0.640166 F\n0.510737 0.694555 0.367037 F\n0.010737 0.194555 0.132963 F\n0.510737 0.805445 0.867037 F\n0.989264 0.694555 0.367037 F\n0.489263 0.305445 0.632963 F\n0.550354 0.302393 0.374074 F\n0.250000 0.972935 0.359834 F\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Na",
"In",
"Ni",
"F"
],
"chemical_system": "F-In-Na-Ni",
"density": 4.101758408645495,
"density_atomic": 0.07708670445588449,
"volume": 570.7858483583315,
"volume_molar": 7.812165278704288,
"formula_full": "Na8 In4 Ni4 F28",
"formula_reduced": "Na2InNiF7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 0.0,
"spacegroup": 62
}
]
}