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=density&page=277",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=275",
"results": [
{
"id": "jvasp-113491",
"created_at": "2022-09-04T14:38:49.505980Z",
"updated_at": "2022-09-04T14:38:49.506008Z",
"structure_string": "Rb1 Cl2\n1.0\n5.585667 0.000000 -0.000000\n-2.792833 4.837329 0.000000\n-0.000000 0.000000 4.168470\nRb Cl\n1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.333334 0.666667 0.000000 Cl\n0.666667 0.333333 0.000000 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Rb",
"Cl"
],
"chemical_system": "Cl-Rb",
"density": 2.3054501728499943,
"density_atomic": 0.026635687297105245,
"volume": 112.63084622284325,
"volume_molar": 22.60929366239588,
"formula_full": "Rb1 Cl2",
"formula_reduced": "RbCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3332780224999999,
"spacegroup": 191
},
{
"id": "jvasp-35156",
"created_at": "2022-09-04T14:38:15.457395Z",
"updated_at": "2022-09-04T14:38:15.457405Z",
"structure_string": "K8 N1 O3\n1.0\n6.462856 0.000000 -0.000000\n0.000000 6.462856 0.000000\n-0.000000 -0.000000 6.462856\nK N O\n8 1 3\ndirect\n0.253610 0.253610 0.253610 K\n0.746390 0.746390 0.253610 K\n0.746390 0.253610 0.746390 K\n0.253610 0.746390 0.746390 K\n0.253610 0.253610 0.746390 K\n0.746390 0.746390 0.746390 K\n0.746390 0.253610 0.253610 K\n0.253610 0.746390 0.253610 K\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"N",
"O"
],
"chemical_system": "K-N-O",
"density": 2.305500178778501,
"density_atomic": 0.0444536890913124,
"volume": 269.9438504496394,
"volume_molar": 13.546998872534315,
"formula_full": "K8 N1 O3",
"formula_reduced": "K8NO3",
"formula_anonymous": "AB3C8",
"energy_above_hull": 0.4383664791666665,
"spacegroup": 221
},
{
"id": "jvasp-104008",
"created_at": "2022-09-04T14:36:48.977277Z",
"updated_at": "2022-09-04T14:36:48.977304Z",
"structure_string": "Sn2 H24 C12 F4\n1.0\n4.298146 -0.084899 0.184445\n1.841660 4.274635 0.420405\n-0.146680 0.136543 18.727665\nSn H C F\n2 24 12 4\ndirect\n0.064248 0.808992 0.528776 Sn\n0.201100 0.002520 0.024003 Sn\n0.523154 0.121310 0.906698 H\n0.087872 0.348805 0.906793 H\n0.014592 0.822797 0.879524 H\n0.434689 0.705779 0.851147 H\n0.369062 0.268852 0.422814 H\n0.851562 0.782706 0.400139 H\n0.132627 0.980064 0.392689 H\n0.118095 0.400177 0.301513 H\n0.559765 0.225203 0.296343 H\n0.146590 0.926233 0.274500 H\n0.587559 0.753419 0.269095 H\n0.626308 0.477620 0.401930 H\n0.267924 0.203365 0.766889 H\n0.856201 0.312160 0.800570 H\n0.459787 0.554922 0.728833 H\n0.434586 0.864183 0.665329 H\n0.985605 0.493349 0.649036 H\n0.090662 0.639510 0.172349 H\n0.407757 0.355832 0.618471 H\n0.530740 0.473256 0.163846 H\n0.558393 -0.000895 0.137363 H\n0.120581 0.179406 0.153326 H\n0.843523 0.810879 0.754238 H\n0.820245 0.119030 0.690102 H\n0.351608 0.437465 0.310629 C\n0.206195 0.912043 0.858916 C\n0.102240 0.766965 0.415176 C\n0.378583 0.474393 0.390743 C\n0.274263 0.109586 0.912317 C\n0.354889 0.713864 0.260519 C\n0.322765 0.679167 0.180763 C\n0.290052 0.730524 0.689673 C\n0.988366 0.944732 0.729654 C\n0.318758 0.968992 0.135660 C\n0.195673 0.562560 0.632999 C\n0.080226 0.109548 0.787761 C\n0.698578 0.251852 0.026914 F\n0.887517 0.276117 0.532945 F\n0.535030 0.904469 0.530667 F\n0.051485 0.632734 0.022034 F\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"F"
],
"chemical_system": "C-F-H-Sn",
"density": 2.3057409408706793,
"density_atomic": 0.12106112108977514,
"volume": 346.93219112727456,
"volume_molar": 4.974463069389691,
"formula_full": "Sn2 H24 C12 F4",
"formula_reduced": "SnH12(C3F)2",
"formula_anonymous": "AB2C6D12",
"energy_above_hull": 4.036502965,
"spacegroup": 1
},
{
"id": "jvasp-113565",
"created_at": "2022-09-04T14:38:49.303354Z",
"updated_at": "2022-09-04T14:38:49.303371Z",
"structure_string": "Ca1 Ti1 S1\n1.0\n6.741189 2.040585 0.000000\n1.829144 4.239825 0.000000\n0.000000 0.000000 3.478102\nCa Ti S\n1 1 1\ndirect\n0.439797 -0.080451 0.000000 Ca\n-0.060329 -0.080227 0.000000 Ti\n-0.060202 0.419658 0.000000 S\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Ti",
"S"
],
"chemical_system": "Ca-S-Ti",
"density": 2.305772150284224,
"density_atomic": 0.034711318525868014,
"volume": 86.42714040851838,
"volume_molar": 17.34921350081272,
"formula_full": "Ca1 Ti1 S1",
"formula_reduced": "CaTiS",
"formula_anonymous": "ABC",
"energy_above_hull": 1.435032917777778,
"spacegroup": 47
},
{
"id": "jvasp-112152",
"created_at": "2022-09-04T14:38:45.299786Z",
"updated_at": "2022-09-04T14:38:45.299803Z",
"structure_string": "Zr1 H10 C7 O4\n1.0\n3.931967 -0.104727 -0.174215\n-1.356759 4.311723 -0.671318\n0.133733 -0.164112 10.703408\nZr H C O\n1 10 7 4\ndirect\n0.883135 0.185390 0.248762 Zr\n0.197181 0.744071 0.652673 H\n0.527484 0.045580 0.516640 H\n0.276873 0.306928 0.536408 H\n0.746486 0.941669 0.778367 H\n0.793201 0.709523 0.569299 H\n0.374288 0.137063 0.870016 H\n0.477435 0.446934 0.783556 H\n0.876830 0.342502 0.961397 H\n0.084538 0.692011 0.901209 H\n0.826928 0.245698 0.690012 H\n0.082789 0.921945 0.379716 C\n0.252142 0.056584 0.515869 C\n0.388724 0.604048 0.052247 C\n0.045540 0.882717 0.616504 C\n0.952162 0.091952 0.728305 C\n0.260224 0.292242 0.827574 C\n0.130182 0.491882 0.934316 C\n0.348444 0.427611 0.135575 O\n0.331826 0.045408 0.290799 O\n0.981809 0.595960 0.354511 O\n0.648232 0.864355 0.064848 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Zr",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zr",
"density": 2.3059551977198334,
"density_atomic": 0.12250955662430561,
"volume": 179.57782728302888,
"volume_molar": 4.9156497876062195,
"formula_full": "Zr1 H10 C7 O4",
"formula_reduced": "ZrH10C7O4",
"formula_anonymous": "AB4C7D10",
"energy_above_hull": 4.701156295454545,
"spacegroup": 1
},
{
"id": "jvasp-99357",
"created_at": "2022-09-04T14:36:05.861235Z",
"updated_at": "2022-09-04T14:36:05.861264Z",
"structure_string": "Sr12 Li8\n1.0\n8.602322 0.000000 0.000000\n0.000000 9.625591 -0.000000\n0.000000 -0.000000 9.625591\nSr Li\n12 8\ndirect\n0.500000 0.649675 0.649675 Sr\n0.250000 0.500000 0.000000 Sr\n0.750000 0.500000 0.000000 Sr\n0.000000 0.287824 0.287824 Sr\n0.500000 0.212176 0.787824 Sr\n0.500000 0.787824 0.212176 Sr\n0.000000 0.712176 0.712176 Sr\n0.000000 0.850325 0.149675 Sr\n0.500000 0.350325 0.350325 Sr\n0.250000 0.000000 0.500000 Sr\n0.000000 0.149675 0.850325 Sr\n0.750000 0.000000 0.500000 Sr\n0.318767 0.112913 0.112913 Li\n0.818767 0.387087 0.612913 Li\n0.818767 0.612913 0.387087 Li\n0.318767 0.887087 0.887087 Li\n0.181233 0.612913 0.387087 Li\n0.181233 0.387087 0.612913 Li\n0.681233 0.112913 0.112913 Li\n0.681233 0.887087 0.887087 Li\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Sr",
"Li"
],
"chemical_system": "Li-Sr",
"density": 2.306288645019968,
"density_atomic": 0.02509339901117212,
"volume": 797.022356002691,
"volume_molar": 23.998904083575184,
"formula_full": "Sr12 Li8",
"formula_reduced": "Sr3Li2",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.1171300000000001,
"spacegroup": 136
},
{
"id": "jvasp-115313",
"created_at": "2022-09-04T14:38:46.394165Z",
"updated_at": "2022-09-04T14:38:46.394201Z",
"structure_string": "Sr1 S1 O1\n1.0\n3.916009 1.714252 0.000000\n1.553136 5.753383 0.000000\n0.000000 0.000000 4.917003\nSr S O\n1 1 1\ndirect\n0.030210 -0.157202 0.000000 Sr\n-0.080269 0.404477 0.000000 S\n0.346783 0.058867 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sr",
"S",
"O"
],
"chemical_system": "O-S-Sr",
"density": 2.3063650028383216,
"density_atomic": 0.030709325528572192,
"volume": 97.69019502589782,
"volume_molar": 19.610136843926952,
"formula_full": "Sr1 S1 O1",
"formula_reduced": "SrSO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.6076766033333336,
"spacegroup": 6
},
{
"id": "jvasp-99343",
"created_at": "2022-09-04T14:36:49.591805Z",
"updated_at": "2022-09-04T14:36:49.591822Z",
"structure_string": "Na6 Y2 H24 C6 O30\n1.0\n11.271902 -0.000000 0.000000\n-5.635951 9.761753 -0.000000\n0.000000 0.000000 5.835772\nNa Y H C O\n6 2 24 6 30\ndirect\n0.628704 0.638131 0.182521 Na\n0.009427 0.371296 0.182521 Na\n0.361868 -0.009427 0.182521 Na\n0.371296 0.361868 0.682521 Na\n0.638131 0.009427 0.682521 Na\n-0.009427 0.628704 0.682521 Na\n0.333333 0.666667 0.915196 Y\n0.666667 0.333333 0.415196 Y\n-0.023187 0.856996 0.429859 H\n0.023187 0.143003 0.929859 H\n0.775027 0.878537 0.532999 H\n0.504916 0.776091 0.358143 H\n0.495084 0.223909 0.858143 H\n0.121462 0.896489 0.532999 H\n0.880183 0.023187 0.429859 H\n0.728824 0.504916 0.858143 H\n0.776091 0.271175 0.858143 H\n0.878537 0.103510 0.032999 H\n0.224973 0.121462 0.032999 H\n0.856996 0.880183 0.929859 H\n0.143004 0.119817 0.429859 H\n0.896489 0.775027 0.032999 H\n0.271175 0.495084 0.358143 H\n0.223909 0.728824 0.358143 H\n0.413899 0.122809 0.646014 H\n0.586101 0.877190 0.146014 H\n0.708910 0.586101 0.646014 H\n0.291090 0.413899 0.146014 H\n0.103510 0.224973 0.532999 H\n0.119817 -0.023187 0.929859 H\n0.122809 0.708910 0.146014 H\n0.877191 0.291090 0.646014 H\n0.682121 0.116801 0.184292 C\n0.434680 0.317879 0.184292 C\n0.317879 0.883199 0.684292 C\n0.565320 0.682121 0.684292 C\n0.116801 0.434680 0.684292 C\n0.883199 0.565320 0.184292 C\n0.179090 0.021053 0.062011 O\n0.021053 0.841963 0.562011 O\n0.158037 0.179090 0.562011 O\n0.779715 0.267738 0.686459 O\n0.083929 0.493823 0.841294 O\n0.506177 0.590106 0.841294 O\n0.486487 0.238278 0.143007 O\n0.220285 0.732262 0.186459 O\n0.302027 0.972125 0.570901 O\n0.751791 0.513512 0.143007 O\n0.238278 0.751791 0.643007 O\n0.820910 0.978947 0.562011 O\n0.841963 0.820910 0.062011 O\n0.409893 0.916070 0.841294 O\n0.027875 0.329901 0.570901 O\n0.697973 0.027875 0.070901 O\n0.732262 0.511976 0.686459 O\n0.761721 0.248209 0.143007 O\n0.972125 0.670098 0.070901 O\n0.978947 0.158037 0.062011 O\n0.488023 0.220285 0.686459 O\n0.590106 0.083929 0.341294 O\n0.513512 0.761721 0.643007 O\n0.511976 0.779714 0.186459 O\n0.493823 0.409893 0.341294 O\n0.916070 0.506177 0.341294 O\n0.267738 0.488023 0.186459 O\n0.670098 0.697973 0.570901 O\n0.248209 0.486487 0.643007 O\n0.329901 0.302027 0.070901 O\n",
"nsites": 68,
"nelements": 5,
"elements": [
"Na",
"Y",
"H",
"C",
"O"
],
"chemical_system": "C-H-Na-O-Y",
"density": 2.306663929782445,
"density_atomic": 0.1058974683961114,
"volume": 642.1305535430249,
"volume_molar": 5.686765558430608,
"formula_full": "Na6 Y2 H24 C6 O30",
"formula_reduced": "Na3YH12(CO5)3",
"formula_anonymous": "AB3C3D12E15",
"energy_above_hull": 3.219055733823529,
"spacegroup": 173
},
{
"id": "jvasp-65150",
"created_at": "2022-09-04T14:35:48.379804Z",
"updated_at": "2022-09-04T14:35:48.379835Z",
"structure_string": "K4 Be1 Rh1\n1.0\n0.000000 4.587691 4.587691\n4.587691 0.000000 4.587691\n4.587691 4.587691 -0.000000\nK Be Rh\n4 1 1\ndirect\n0.126905 0.624365 0.624365 K\n0.624365 0.624365 0.624365 K\n0.624365 0.126905 0.624365 K\n0.624365 0.624365 0.126905 K\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Rh\n",
"nsites": 6,
"nelements": 3,
"elements": [
"K",
"Be",
"Rh"
],
"chemical_system": "Be-K-Rh",
"density": 2.307145120232379,
"density_atomic": 0.03106982296585637,
"volume": 193.113427346966,
"volume_molar": 19.382604035491042,
"formula_full": "K4 Be1 Rh1",
"formula_reduced": "K4BeRh",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3613985166666664,
"spacegroup": 216
},
{
"id": "jvasp-101906",
"created_at": "2022-09-04T14:37:08.770355Z",
"updated_at": "2022-09-04T14:37:08.770371Z",
"structure_string": "Zn1 H6 C5 O4\n1.0\n3.885842 0.207391 -0.089895\n1.446823 4.436020 0.287816\n-0.666265 0.015568 8.326923\nZn H C O\n1 6 5 4\ndirect\n0.966844 0.738697 0.754514 Zn\n-0.002822 0.366586 0.370063 H\n0.447870 0.351169 0.439564 H\n0.283491 0.907346 0.206283 H\n0.093058 0.456514 0.084884 H\n0.728406 0.907672 0.274477 H\n0.537846 0.448838 0.145649 H\n0.322547 -0.011763 0.537953 C\n0.287794 0.210376 0.395849 C\n0.435067 0.055957 0.245591 C\n0.383624 0.299530 0.109128 C\n0.511910 0.186592 0.950588 C\n0.064015 0.061696 0.627419 O\n0.610495 0.740121 0.564913 O\n0.739468 0.909473 0.950143 O\n0.407674 0.370628 0.823421 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 2.307160727125354,
"density_atomic": 0.1137063660763042,
"volume": 140.713317575051,
"volume_molar": 5.29622128277212,
"formula_full": "Zn1 H6 C5 O4",
"formula_reduced": "ZnH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.145520274999999,
"spacegroup": 1
},
{
"id": "jvasp-97659",
"created_at": "2022-09-04T14:35:48.920204Z",
"updated_at": "2022-09-04T14:35:48.920239Z",
"structure_string": "Li2 B26 C4\n1.0\n5.229134 0.000012 2.198589\n1.859493 6.454275 2.895220\n0.001515 0.002896 7.314267\nLi B C\n2 26 4\ndirect\n0.748807 0.945549 0.556392 Li\n0.248823 0.058847 0.443145 Li\n0.089109 0.912054 0.228689 B\n0.247960 0.388034 0.113860 B\n0.571723 0.605369 0.249050 B\n0.322747 0.879067 0.979308 B\n0.071723 0.751477 0.102939 B\n0.227950 0.092277 0.770789 B\n0.727950 0.273218 0.589847 B\n0.924234 0.252856 0.896536 B\n0.165145 0.847322 0.820264 B\n0.768013 0.912054 0.228711 B\n0.747962 0.616291 0.885606 B\n0.316745 0.481731 0.376639 B\n0.830826 0.157006 0.179215 B\n0.906875 0.092281 0.770766 B\n0.589105 0.731124 0.409624 B\n0.424231 0.398967 0.750424 B\n0.330822 0.681645 0.654576 B\n0.406872 0.273197 0.589850 B\n0.673215 0.125261 0.020171 B\n0.679218 0.522599 0.622830 B\n0.268014 0.731147 0.409621 B\n0.816746 0.879069 0.979300 B\n0.173215 0.522610 0.622823 B\n0.179220 0.125258 0.020165 B\n0.822746 0.481738 0.376640 B\n0.665145 0.322689 0.344898 B\n0.378571 0.251175 0.989544 C\n0.617397 0.753147 0.009926 C\n0.117396 0.512352 0.250722 C\n0.878564 0.491981 0.748742 C\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Li",
"B",
"C"
],
"chemical_system": "B-C-Li",
"density": 2.30782710192494,
"density_atomic": 0.12965711551788087,
"volume": 246.80481184688176,
"volume_molar": 4.644666616210118,
"formula_full": "Li2 B26 C4",
"formula_reduced": "LiB13C2",
"formula_anonymous": "AB2C13",
"energy_above_hull": 5.5216464739583335,
"spacegroup": 74
},
{
"id": "jvasp-35197",
"created_at": "2022-09-04T14:38:32.486825Z",
"updated_at": "2022-09-04T14:38:32.486840Z",
"structure_string": "Na8 N1 O3\n1.0\n5.614119 0.000000 0.000000\n-0.000000 5.614119 0.000000\n0.000000 0.000000 5.614119\nNa N O\n8 1 3\ndirect\n0.253241 0.253241 0.253241 Na\n0.746759 0.746759 0.253241 Na\n0.746759 0.253241 0.746759 Na\n0.253241 0.746759 0.746759 Na\n0.253241 0.253241 0.746759 Na\n0.746759 0.746759 0.746759 Na\n0.746759 0.253241 0.253241 Na\n0.253241 0.746759 0.253241 Na\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Na",
"N",
"O"
],
"chemical_system": "N-Na-O",
"density": 2.307828326073391,
"density_atomic": 0.06781666116151282,
"volume": 176.94766735007323,
"volume_molar": 8.88003133279831,
"formula_full": "Na8 N1 O3",
"formula_reduced": "Na8NO3",
"formula_anonymous": "AB3C8",
"energy_above_hull": 0.6049546458333332,
"spacegroup": 221
}
]
}