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=-formula_reduced&page=3809",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=3807",
"results": [
{
"id": "jvasp-103893",
"created_at": "2022-09-04T14:36:59.733934Z",
"updated_at": "2022-09-04T14:36:59.733956Z",
"structure_string": "Ca2 H4 C6 O8\n1.0\n4.212989 0.042592 0.616793\n0.777921 6.470778 0.409421\n0.160332 0.145143 7.551046\nCa H C O\n2 4 6 8\ndirect\n0.937535 0.913063 0.513474 Ca\n0.937535 0.913063 0.013474 Ca\n0.158530 0.353699 0.191011 H\n0.158531 0.353699 0.691012 H\n0.118973 0.430433 0.407896 H\n0.118974 0.430433 0.907896 H\n0.299673 0.396378 0.789454 C\n0.299674 0.396378 0.289454 C\n0.513542 0.201091 0.831883 C\n0.426452 0.595865 0.710311 C\n0.426453 0.595867 0.210310 C\n0.513544 0.201090 0.331883 C\n0.229661 0.760546 0.251428 O\n0.686751 0.601380 0.103608 O\n0.686750 0.601380 0.603609 O\n0.402537 0.082915 0.465006 O\n0.402539 0.082915 0.965005 O\n0.789580 0.148743 0.241879 O\n0.789579 0.148742 0.741880 O\n0.229662 0.760546 0.751427 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"H",
"C",
"O"
],
"chemical_system": "C-Ca-H-O",
"density": 2.304891011894629,
"density_atomic": 0.09766414633578081,
"volume": 204.7834415225179,
"volume_molar": 6.166173550829158,
"formula_full": "Ca2 H4 C6 O8",
"formula_reduced": "CaH2C3O4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 3.748581442,
"spacegroup": 1
},
{
"id": "jvasp-99644",
"created_at": "2022-09-04T14:36:55.495922Z",
"updated_at": "2022-09-04T14:36:55.495937Z",
"structure_string": "Ca2 H4\n1.0\n3.803637 0.027025 0.000000\n-1.925994 3.280081 0.000000\n-0.000000 0.000000 5.310288\nCa H\n2 4\ndirect\n0.166606 0.833394 0.250000 Ca\n0.833396 0.166606 0.750000 Ca\n0.833303 0.166699 0.250000 H\n0.166699 0.833302 0.750000 H\n0.500001 0.500000 -0.000000 H\n0.500001 0.500000 0.500000 H\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"H"
],
"chemical_system": "Ca-H",
"density": 2.1013010006456243,
"density_atomic": 0.09018648608341545,
"volume": 66.528814466177,
"volume_molar": 6.677431421854035,
"formula_full": "Ca2 H4",
"formula_reduced": "CaH2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.1851834733333335,
"spacegroup": 194
},
{
"id": "jvasp-5296",
"created_at": "2022-09-04T14:36:52.454502Z",
"updated_at": "2022-09-04T14:36:52.454525Z",
"structure_string": "Ca2 H4\n1.0\n1.902243 -3.294781 0.000000\n1.902243 3.294781 0.000000\n0.000000 0.000000 5.316893\nCa H\n2 4\ndirect\n0.666666 0.333332 0.750000 Ca\n0.333332 0.666666 0.250000 Ca\n0.666666 0.333332 0.250000 H\n0.333332 0.666666 0.750000 H\n0.000000 0.000000 0.000000 H\n0.000000 0.000000 0.500000 H\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"H"
],
"chemical_system": "Ca-H",
"density": 2.097575434480477,
"density_atomic": 0.09002658718220963,
"volume": 66.64697827383236,
"volume_molar": 6.689291406561338,
"formula_full": "Ca2 H4",
"formula_reduced": "CaH2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.1851134733333335,
"spacegroup": 194
},
{
"id": "jvasp-12559",
"created_at": "2022-09-04T14:38:14.608751Z",
"updated_at": "2022-09-04T14:38:14.608767Z",
"structure_string": "Ca4 H8\n1.0\n3.551940 -0.000000 0.000000\n-0.000000 5.885148 0.000000\n0.000000 0.000000 6.771786\nCa H\n4 8\ndirect\n0.250000 0.739682 0.611680 Ca\n0.750000 0.260318 0.388320 Ca\n0.250000 0.239682 0.888320 Ca\n0.750000 0.760318 0.111680 Ca\n0.250000 0.473390 0.175932 H\n0.750000 0.526610 0.824069 H\n0.250000 0.973390 0.324069 H\n0.750000 0.026610 0.675932 H\n0.750000 0.644332 0.427947 H\n0.250000 0.355668 0.572054 H\n0.750000 0.144332 0.072054 H\n0.250000 0.855668 0.927947 H\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ca",
"H"
],
"chemical_system": "Ca-H",
"density": 1.9751578642030938,
"density_atomic": 0.08477250388105735,
"volume": 141.555332809763,
"volume_molar": 7.103884495908659,
"formula_full": "Ca4 H8",
"formula_reduced": "CaH2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.164366806666667,
"spacegroup": 62
},
{
"id": "jvasp-98626",
"created_at": "2022-09-04T14:36:09.267655Z",
"updated_at": "2022-09-04T14:36:09.267676Z",
"structure_string": "Ca2 H24 I4 O28\n1.0\n8.672033 2.765854 -5.028183\n-8.672033 2.765854 5.028183\n-0.040495 0.000000 11.356444\nCa H I O\n2 24 4 28\ndirect\n0.567727 0.567727 0.750000 Ca\n0.432272 0.432272 0.250000 Ca\n0.956199 0.888677 0.155070 H\n0.111321 0.043800 0.655070 H\n0.043800 0.111322 0.844929 H\n0.621828 0.784418 0.350149 H\n0.784418 0.621828 0.149851 H\n0.378170 0.215581 0.649851 H\n0.215580 0.378171 0.850148 H\n0.355623 0.119393 0.171281 H\n0.119393 0.355623 0.328719 H\n0.644375 0.880606 0.828719 H\n0.880606 0.644376 0.671280 H\n0.281369 0.211243 0.035669 H\n0.211243 0.281369 0.464331 H\n0.718630 0.788756 0.964331 H\n0.788755 0.718630 0.535668 H\n0.852362 0.516043 0.483301 H\n0.516043 0.852362 0.016698 H\n0.147636 0.483956 0.516698 H\n0.483955 0.147637 0.983301 H\n0.159751 0.643204 0.690166 H\n0.643204 0.159751 0.809833 H\n0.840247 0.356795 0.309833 H\n0.356795 0.840248 0.190167 H\n0.888677 0.956199 0.344929 H\n0.415150 0.059410 0.521834 I\n0.059410 0.415151 0.978165 I\n0.940589 0.584848 0.021835 I\n0.584848 0.940589 0.478165 I\n0.775523 0.715525 0.138972 O\n0.284474 0.224476 0.638971 O\n0.224476 0.284474 0.861028 O\n0.297209 0.172207 0.137306 O\n0.172207 0.297209 0.362694 O\n0.702789 0.827792 0.862693 O\n0.827791 0.702790 0.637306 O\n0.362418 0.936713 0.385658 O\n0.936713 0.362418 0.114342 O\n0.637580 0.063286 0.614342 O\n0.063285 0.637581 0.885657 O\n0.685151 0.402268 0.420754 O\n0.402268 0.685151 0.079246 O\n0.597730 0.314848 0.920753 O\n0.120836 0.704091 0.597103 O\n0.704091 0.120837 0.902896 O\n0.879162 0.295908 0.402896 O\n0.295908 0.879162 0.097103 O\n0.522223 0.183058 0.665536 O\n0.183057 0.522223 0.834464 O\n0.477776 0.816941 0.334464 O\n0.816941 0.477776 0.165536 O\n0.203094 0.038336 0.406469 O\n0.038336 0.203094 0.093531 O\n0.796904 0.961663 0.593530 O\n0.961662 0.796905 0.906469 O\n0.314847 0.597731 0.579246 O\n0.715525 0.775523 0.361028 O\n",
"nsites": 58,
"nelements": 4,
"elements": [
"Ca",
"H",
"I",
"O"
],
"chemical_system": "Ca-H-I-O",
"density": 3.237500304954873,
"density_atomic": 0.1066852309908149,
"volume": 543.6553819243596,
"volume_molar": 5.644774542896643,
"formula_full": "Ca2 H24 I4 O28",
"formula_reduced": "CaH12(IO7)2",
"formula_anonymous": "AB2C12D14",
"energy_above_hull": 2.7826959300000005,
"spacegroup": 15
},
{
"id": "jvasp-55701",
"created_at": "2022-09-04T14:38:09.547990Z",
"updated_at": "2022-09-04T14:38:09.548014Z",
"structure_string": "Ca1 H12 Cl2 O6\n1.0\n3.921329 -6.791942 -0.000000\n3.921329 6.791942 0.000000\n-0.000000 -0.000000 3.877679\nCa H Cl O\n1 12 2 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.439168 0.338508 0.104815 H\n0.661492 0.100660 0.104815 H\n0.100660 0.661492 0.895185 H\n0.338508 0.439168 0.895185 H\n0.560832 0.899341 0.895185 H\n0.899341 0.560832 0.104815 H\n0.348427 0.115087 0.527103 H\n0.766661 0.651574 0.527103 H\n0.115087 0.348427 0.472897 H\n0.651574 0.766661 0.472897 H\n0.233339 0.884913 0.472897 H\n0.884913 0.233339 0.527103 H\n0.666667 0.333333 0.427783 Cl\n0.333333 0.666667 0.572217 Cl\n0.685842 0.000000 0.000000 O\n0.785366 0.785366 0.500000 O\n0.214634 0.000000 0.500000 O\n0.000000 0.214634 0.500000 O\n0.314158 0.314158 0.000000 O\n0.000000 0.685842 0.000000 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Ca",
"H",
"Cl",
"O"
],
"chemical_system": "Ca-Cl-H-O",
"density": 1.7612222595351472,
"density_atomic": 0.10166938455462324,
"volume": 206.55185523147796,
"volume_molar": 5.9232587925862035,
"formula_full": "Ca1 H12 Cl2 O6",
"formula_reduced": "CaH12(ClO3)2",
"formula_anonymous": "AB2C6D12",
"energy_above_hull": 2.66289664547619,
"spacegroup": 150
},
{
"id": "jvasp-112047",
"created_at": "2022-09-04T14:38:42.089327Z",
"updated_at": "2022-09-04T14:38:42.089356Z",
"structure_string": "Ca2 H24 C16 O8\n1.0\n4.194802 -0.012818 0.104684\n0.368520 7.945648 0.937100\n0.059072 0.097604 12.175074\nCa H C O\n2 24 16 8\ndirect\n0.924373 0.495091 0.840984 Ca\n0.924373 -0.004908 0.840983 Ca\n0.816470 0.349115 0.463225 H\n0.818057 0.136285 0.521200 H\n0.818046 0.636285 0.521198 H\n0.267464 0.181780 0.602611 H\n0.267457 0.681780 0.602612 H\n0.265156 0.895617 0.549311 H\n0.265165 0.395617 0.549310 H\n0.322287 0.301055 0.355760 H\n0.322273 0.801055 0.355759 H\n0.348597 0.087948 0.411348 H\n0.348577 0.587949 0.411348 H\n0.816457 0.849114 0.463222 H\n0.861189 0.769662 0.262148 H\n0.861198 0.269667 0.262147 H\n0.447891 0.836988 0.115430 H\n0.149336 0.689661 0.110256 H\n0.149343 0.189646 0.110259 H\n0.416828 0.487772 0.231345 H\n0.447883 0.336983 0.115432 H\n0.776977 0.015423 0.155904 H\n0.776956 0.515423 0.155904 H\n0.905644 0.563645 0.330062 H\n0.905667 0.063652 0.330061 H\n0.416854 0.987769 0.231349 H\n0.493150 0.198265 0.386061 C\n0.406343 0.206271 0.106277 C\n0.406337 0.706277 0.106275 C\n0.582402 0.083768 0.196514 C\n0.582382 0.583769 0.196512 C\n0.727160 0.157803 0.293243 C\n0.727142 0.657800 0.293243 C\n0.493134 0.698265 0.386062 C\n0.423702 0.287378 0.578782 C\n0.660375 0.743300 0.487920 C\n0.423694 0.787378 0.578781 C\n0.534295 0.174901 0.992748 C\n0.534289 0.674903 0.992748 C\n0.567620 0.322590 0.685758 C\n0.567614 0.822590 0.685757 C\n0.660388 0.243299 0.487920 C\n0.426854 0.930350 0.741913 O\n0.828427 0.745655 0.717938 O\n0.828432 0.245655 0.717939 O\n0.403694 0.570725 0.938606 O\n0.403698 0.070727 0.938605 O\n0.793597 0.744098 0.957268 O\n0.793603 0.244098 0.957270 O\n0.426854 0.430350 0.741914 O\n",
"nsites": 50,
"nelements": 4,
"elements": [
"Ca",
"H",
"C",
"O"
],
"chemical_system": "C-Ca-H-O",
"density": 1.7387062631140675,
"density_atomic": 0.12332643343073638,
"volume": 405.42808714306506,
"volume_molar": 4.883090017666168,
"formula_full": "Ca2 H24 C16 O8",
"formula_reduced": "CaH12(C2O)4",
"formula_anonymous": "AB4C8D12",
"energy_above_hull": 4.4895313768,
"spacegroup": 1
},
{
"id": "jvasp-55712",
"created_at": "2022-09-04T14:38:03.428647Z",
"updated_at": "2022-09-04T14:38:03.428665Z",
"structure_string": "Ca1 H12 Br2 O6\n1.0\n4.049593 -7.014101 0.000000\n4.049593 7.014101 -0.000000\n-0.000000 0.000000 3.942197\nCa H Br O\n1 12 2 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.111000 0.774930 0.528899 H\n0.225069 0.336071 0.528899 H\n0.774930 0.111000 0.471102 H\n0.888999 0.663928 0.471102 H\n0.336071 0.225069 0.471102 H\n0.663928 0.888999 0.528899 H\n0.575254 0.672868 0.101131 H\n0.097613 0.424745 0.101131 H\n0.424745 0.097613 0.898870 H\n0.902386 0.327131 0.898870 H\n0.672868 0.575254 0.898870 H\n0.327131 0.902386 0.101131 H\n0.666667 0.333333 0.562871 Br\n0.333333 0.666667 0.437130 Br\n0.206456 0.206456 0.500000 O\n-0.000000 0.302999 0.000000 O\n0.697000 0.697000 0.000000 O\n0.302999 -0.000000 0.000000 O\n-0.000000 0.793543 0.500000 O\n0.793543 -0.000000 0.500000 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Ca",
"H",
"Br",
"O"
],
"chemical_system": "Br-Ca-H-O",
"density": 2.283582096585659,
"density_atomic": 0.09377079188840912,
"volume": 223.9503322632789,
"volume_molar": 6.422192495896357,
"formula_full": "Ca1 H12 Br2 O6",
"formula_reduced": "CaH12(BrO3)2",
"formula_anonymous": "AB2C6D12",
"energy_above_hull": 2.642868553809524,
"spacegroup": 150
},
{
"id": "jvasp-101895",
"created_at": "2022-09-04T14:36:59.846282Z",
"updated_at": "2022-09-04T14:36:59.846311Z",
"structure_string": "Ca2 H20 C14 O8\n1.0\n4.252396 0.028267 -0.008549\n-0.055122 7.534757 -1.391907\n0.020488 0.117712 11.221208\nCa H C O\n2 20 14 8\ndirect\n0.008189 0.516459 0.810391 Ca\n0.008189 0.016459 0.810391 Ca\n0.153349 0.128624 0.396902 H\n0.171616 0.857578 0.453114 H\n0.171616 0.357578 0.453114 H\n0.698346 0.817709 0.547371 H\n0.698346 0.317709 0.547372 H\n0.687043 0.090374 0.492737 H\n0.687042 0.590374 0.492736 H\n0.667288 0.652203 0.284947 H\n0.667287 0.152204 0.284947 H\n0.153350 0.628625 0.396902 H\n0.666270 0.381300 0.335983 H\n0.666271 0.881300 0.335982 H\n0.699007 0.715784 0.073465 H\n0.686293 0.943034 0.128260 H\n0.686291 0.443033 0.128260 H\n0.699005 0.215784 0.073465 H\n0.152456 0.903363 0.223660 H\n0.172577 0.174477 0.167461 H\n0.172578 0.674478 0.167461 H\n0.152454 0.403362 0.223660 H\n0.535876 0.827510 0.097682 C\n0.535874 0.327509 0.097682 C\n0.317579 0.792371 0.199169 C\n0.317577 0.292370 0.199169 C\n0.509160 0.766507 0.310407 C\n0.509159 0.266507 0.310407 C\n0.317565 0.740099 0.421511 C\n0.535925 0.705582 0.523154 C\n0.535926 0.205582 0.523154 C\n0.385530 0.853036 0.979635 C\n0.385529 0.353036 0.979635 C\n0.385529 0.679973 0.641170 C\n0.385529 0.179973 0.641171 C\n0.317564 0.240099 0.421511 C\n0.523303 0.082740 0.706643 O\n0.121851 0.254133 0.673794 O\n0.121851 0.754133 0.673794 O\n0.523358 0.450303 0.914184 O\n0.523359 0.950302 0.914184 O\n0.121817 0.278818 0.946977 O\n0.121817 0.778818 0.946977 O\n0.523304 0.582739 0.706643 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Ca",
"H",
"C",
"O"
],
"chemical_system": "C-Ca-H-O",
"density": 1.8274400536354976,
"density_atomic": 0.12213708790635366,
"volume": 360.250934046636,
"volume_molar": 4.930640531250724,
"formula_full": "Ca2 H20 C14 O8",
"formula_reduced": "CaH10C7O4",
"formula_anonymous": "AB4C7D10",
"energy_above_hull": 4.423480200909091,
"spacegroup": 3
},
{
"id": "jvasp-112028",
"created_at": "2022-09-04T14:38:43.421220Z",
"updated_at": "2022-09-04T14:38:43.421242Z",
"structure_string": "Ca2 H20 C14 O8\n1.0\n4.368025 -0.069543 -0.255811\n-1.232684 7.456182 -0.863200\n0.016742 0.137382 11.305441\nCa H C O\n2 20 14 8\ndirect\n0.927212 0.500243 0.819485 Ca\n0.927212 0.000243 0.819485 Ca\n0.192594 0.078427 0.398203 H\n0.190466 0.807368 0.443804 H\n0.190466 0.307368 0.443803 H\n0.735025 0.840392 0.541675 H\n0.735024 0.340393 0.541675 H\n0.736823 0.114912 0.498693 H\n0.736824 0.614912 0.498693 H\n0.669459 0.667525 0.287188 H\n0.669458 0.167526 0.287188 H\n0.192595 0.578427 0.398203 H\n0.668959 0.394211 0.334348 H\n0.668960 0.894211 0.334348 H\n0.659316 0.745855 0.073616 H\n0.658073 0.969401 0.128543 H\n0.658072 0.469401 0.128543 H\n0.659316 0.245855 0.073616 H\n0.145377 0.869588 0.220257 H\n0.159577 0.145465 0.167351 H\n0.159577 0.645465 0.167351 H\n0.145377 0.369588 0.220257 H\n0.503705 0.840762 0.098372 C\n0.503705 0.340762 0.098372 C\n0.306159 0.776613 0.198238 C\n0.306159 0.276613 0.198238 C\n0.513596 0.763566 0.309558 C\n0.513595 0.263566 0.309558 C\n0.342862 0.711028 0.418813 C\n0.579465 0.709448 0.523117 C\n0.579465 0.209449 0.523117 C\n0.329898 0.861774 0.982906 C\n0.329898 0.361774 0.982906 C\n0.464088 0.657254 0.640811 C\n0.464087 0.157254 0.640811 C\n0.342861 0.211029 0.418813 C\n0.657579 0.214098 0.733134 O\n0.204928 0.056483 0.646006 O\n0.204929 0.556482 0.646006 O\n0.453669 0.475602 0.916288 O\n0.453670 0.975602 0.916288 O\n0.059453 0.268122 0.952427 O\n0.059453 0.768122 0.952427 O\n0.657580 0.714097 0.733134 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Ca",
"H",
"C",
"O"
],
"chemical_system": "C-Ca-H-O",
"density": 1.7897878127976212,
"density_atomic": 0.11962059767186516,
"volume": 367.82962847834716,
"volume_molar": 5.0343677236252535,
"formula_full": "Ca2 H20 C14 O8",
"formula_reduced": "CaH10C7O4",
"formula_anonymous": "AB4C7D10",
"energy_above_hull": 4.423175655454545,
"spacegroup": 1
},
{
"id": "jvasp-7913",
"created_at": "2022-09-04T14:37:04.300118Z",
"updated_at": "2022-09-04T14:37:04.300141Z",
"structure_string": "Ca1 Ge2 Ru2\n1.0\n3.985359 -0.000000 -1.560382\n-0.610934 3.938254 -1.560382\n-0.004589 -0.005357 5.857955\nCa Ge Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.367882 0.367881 0.735764 Ge\n0.632119 0.632117 0.264237 Ge\n0.250000 0.749999 0.500001 Ru\n0.750000 0.249999 0.500001 Ru\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Ge",
"Ru"
],
"chemical_system": "Ca-Ge-Ru",
"density": 7.0035165373585295,
"density_atomic": 0.054421135615585176,
"volume": 91.87606880015373,
"volume_molar": 11.065812375799402,
"formula_full": "Ca1 Ge2 Ru2",
"formula_reduced": "Ca(GeRu)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.0635466640000004,
"spacegroup": 139
},
{
"id": "jvasp-17383",
"created_at": "2022-09-04T14:38:32.761887Z",
"updated_at": "2022-09-04T14:38:32.761918Z",
"structure_string": "Ca1 Ge2 Rh2\n1.0\n3.912190 0.000000 -1.453132\n-0.539747 3.874778 -1.453132\n0.005227 0.006006 6.006927\nCa Ge Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.374214 0.374214 0.748428 Ge\n0.625787 0.625787 0.251573 Ge\n0.750000 0.250001 0.500001 Rh\n0.250000 0.750001 0.500001 Rh\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Ge",
"Rh"
],
"chemical_system": "Ca-Ge-Rh",
"density": 7.12801902760857,
"density_atomic": 0.05486878298005648,
"volume": 91.12649722552409,
"volume_molar": 10.975531865157109,
"formula_full": "Ca1 Ge2 Rh2",
"formula_reduced": "Ca(GeRh)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.3203856639999998,
"spacegroup": 139
}
]
}