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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=75",
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"results": [
{
"id": "jvasp-112199",
"created_at": "2022-09-04T14:38:44.205995Z",
"updated_at": "2022-09-04T14:38:44.206022Z",
"structure_string": "Cd1 H18 C11 O4\n1.0\n3.907098 -0.070667 -0.045692\n-1.063459 4.351733 -0.306983\n0.214205 0.023305 15.949988\nCd H C O\n1 18 11 4\ndirect\n0.763489 0.892583 0.158320 Cd\n0.909597 0.554569 0.482872 H\n0.902642 0.087467 0.386064 H\n0.640606 -0.003602 0.883056 H\n0.449308 0.008576 0.694484 H\n0.878926 0.021807 0.730430 H\n0.668236 0.036278 0.541780 H\n0.095526 0.044334 0.578561 H\n0.334213 0.559524 0.520024 H\n0.217264 0.991530 0.842931 H\n0.253190 0.500275 0.931830 H\n0.646704 0.455831 0.978531 H\n0.466300 0.501945 0.782350 H\n0.890952 0.507796 0.820205 H\n0.679022 0.520000 0.632277 H\n0.108838 0.533679 0.668074 H\n0.176405 0.600264 0.330057 H\n0.579091 0.616905 0.380217 H\n0.313328 0.070703 0.427712 H\n0.087322 0.230352 0.074518 C\n0.401267 0.330410 0.945039 C\n0.470196 0.145369 0.866495 C\n0.638233 0.351620 0.797096 C\n0.701696 0.168408 0.716504 C\n0.152991 0.231328 0.413998 C\n0.920578 0.193303 0.564866 C\n0.082699 0.403523 0.495932 C\n0.343145 0.454905 0.350856 C\n0.467087 0.308808 0.272076 C\n0.856732 0.373458 0.645957 C\n0.185368 0.108962 0.000376 O\n0.709668 0.470691 0.228827 O\n0.338796 0.020544 0.251669 O\n0.192809 0.512051 0.092631 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.0085446189908427,
"density_atomic": 0.12589343629143795,
"volume": 270.0696795763954,
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"formula_full": "Cd1 H18 C11 O4",
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"formula_anonymous": "AB4C11D18",
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"spacegroup": 1
},
{
"id": "jvasp-116669",
"created_at": "2022-09-04T14:38:44.159630Z",
"updated_at": "2022-09-04T14:38:44.159656Z",
"structure_string": "Na3 Sm3 F12\n1.0\n5.471677 0.002683 2.598697\n1.778279 5.976196 3.290136\n-0.007596 -0.005676 7.057427\nNa Sm F\n3 3 12\ndirect\n0.666186 0.483646 0.166816 Na\n0.663651 0.005214 0.679680 Na\n0.330128 0.427548 0.908194 Na\n0.002646 0.999773 0.997680 Sm\n0.997670 0.499192 0.503337 Sm\n0.335585 0.921258 0.409075 Sm\n0.975950 0.887500 0.383682 F\n0.981418 0.381999 0.882157 F\n0.276747 0.130427 0.624005 F\n0.257383 0.625779 0.128924 F\n0.046869 0.819012 0.771047 F\n0.594865 0.166065 0.197839 F\n0.591833 0.708018 0.659158 F\n0.754763 0.735398 0.231624 F\n0.365303 0.541779 0.501452 F\n0.367547 0.007082 0.031973 F\n0.037671 0.279161 0.315261 F\n0.753788 0.244141 0.745109 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Na",
"Sm",
"F"
],
"chemical_system": "F-Na-Sm",
"density": 5.3786734632238735,
"density_atomic": 0.0779434250997977,
"volume": 230.93673362381813,
"volume_molar": 7.726297314095875,
"formula_full": "Na3 Sm3 F12",
"formula_reduced": "NaSmF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 1
},
{
"id": "jvasp-112083",
"created_at": "2022-09-04T14:38:44.273990Z",
"updated_at": "2022-09-04T14:38:44.274020Z",
"structure_string": "Zn1 H4 C4 O4\n1.0\n4.029751 0.082129 -0.016313\n0.697688 4.746522 0.108260\n-0.082229 0.141040 6.760412\nZn H C O\n1 4 4 4\ndirect\n0.765733 0.013833 0.733807 Zn\n0.302550 0.032122 0.147573 H\n0.896329 0.014763 0.236826 H\n0.225911 0.548398 0.223347 H\n0.818346 0.534459 0.305503 H\n0.265353 0.064757 0.457265 C\n0.111050 0.124049 0.251715 C\n0.008691 0.439622 0.202660 C\n0.881534 0.515475 0.991695 C\n0.173791 0.877481 0.575302 O\n0.501507 0.198837 0.505127 O\n0.728620 0.772760 0.963526 O\n-0.061001 0.342906 0.855466 O\n",
"nsites": 13,
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"elements": [
"Zn",
"H",
"C",
"O"
],
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"density": 2.338801778033629,
"density_atomic": 0.10089185884915748,
"volume": 128.85083244859413,
"volume_molar": 5.968906538835457,
"formula_full": "Zn1 H4 C4 O4",
"formula_reduced": "ZnH4(CO)4",
"formula_anonymous": "AB4C4D4",
"energy_above_hull": 3.9589972615384617,
"spacegroup": 1
},
{
"id": "jvasp-112198",
"created_at": "2022-09-04T14:38:45.860663Z",
"updated_at": "2022-09-04T14:38:45.860694Z",
"structure_string": "Cd1 H18 C11 O4\n1.0\n4.000849 0.118352 0.445355\n0.911535 4.274517 -0.023115\n0.243435 0.034808 15.564686\nCd H C O\n1 18 11 4\ndirect\n0.967331 0.794038 0.839226 Cd\n0.637453 0.732389 0.532572 H\n0.124215 0.314552 0.565842 H\n0.049879 0.147475 0.103140 H\n0.160723 0.128744 0.300470 H\n0.757455 0.180142 0.262611 H\n0.844988 0.192474 0.460276 H\n0.449897 0.240501 0.418685 H\n0.255250 0.787832 0.485001 H\n0.460328 0.098550 0.137621 H\n0.524022 0.604388 0.067423 H\n0.111898 0.663618 0.035743 H\n0.255240 0.612888 0.222672 H\n0.849705 0.667831 0.186446 H\n0.961276 0.659658 0.377616 H\n0.561758 0.713998 0.338217 H\n0.712022 0.083187 0.614683 H\n0.664635 0.436709 0.675015 H\n0.093255 0.656221 0.629214 H\n0.499255 0.311384 0.963019 C\n0.335274 0.478739 0.048634 C\n0.233003 0.276690 0.122972 C\n0.069279 0.484577 0.203592 C\n0.943034 0.309188 0.281383 C\n0.276909 0.466094 0.589776 C\n0.633658 0.370860 0.437846 C\n0.453173 0.607021 0.511576 C\n0.522163 0.280569 0.649192 C\n0.345354 0.153301 0.727706 C\n0.774677 0.531769 0.358807 C\n0.710534 0.040960 0.964428 O\n0.054110 0.306106 0.765368 O\n0.485669 0.881421 0.755013 O\n0.436755 0.451508 0.893120 O\n",
"nsites": 34,
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"elements": [
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"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.0542826184098466,
"density_atomic": 0.12876024535383623,
"volume": 264.05665744552743,
"volume_molar": 4.677018705153142,
"formula_full": "Cd1 H18 C11 O4",
"formula_reduced": "CdH18C11O4",
"formula_anonymous": "AB4C11D18",
"energy_above_hull": 4.563826580882353,
"spacegroup": 1
},
{
"id": "jvasp-120235",
"created_at": "2022-09-04T14:38:45.890515Z",
"updated_at": "2022-09-04T14:38:45.890542Z",
"structure_string": "H2 S2\n1.0\n3.842185 -0.784526 -0.715190\n0.715547 -5.029917 0.487477\n1.319417 0.075924 -3.758425\nH S\n2 2\ndirect\n0.007790 0.305147 0.351862 H\n0.383399 0.647603 0.029902 H\n0.234946 0.175218 0.956744 S\n0.627240 0.799115 -0.038047 S\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "H-S",
"density": 1.687399956271362,
"density_atomic": 0.06145060014982446,
"volume": 65.09293628129727,
"volume_molar": 9.799970619192077,
"formula_full": "H2 S2",
"formula_reduced": "HS",
"formula_anonymous": "AB",
"energy_above_hull": 1.4712149999999995,
"spacegroup": 1
},
{
"id": "jvasp-112079",
"created_at": "2022-09-04T14:38:44.288476Z",
"updated_at": "2022-09-04T14:38:44.288514Z",
"structure_string": "Ti1 H12 C7 O4\n1.0\n4.763325 -0.089642 0.226653\n1.468425 5.974103 1.000355\n-0.060241 0.244572 7.321376\nTi H C O\n1 12 7 4\ndirect\n0.918022 0.249270 0.227665 Ti\n0.653174 0.557682 0.779890 H\n0.021997 0.864471 0.115001 H\n0.018034 0.772025 0.774012 H\n0.157256 0.738236 0.554671 H\n0.811257 0.080787 0.946889 H\n0.423832 0.400630 0.710116 H\n0.162198 0.104441 0.707498 H\n0.635174 0.922399 0.129563 H\n0.950953 0.605401 0.341370 H\n0.906223 0.410877 0.549855 H\n0.596124 0.573220 0.414292 H\n0.507792 0.943369 0.783356 H\n0.431220 0.536309 0.785187 C\n0.217900 0.753135 0.693571 C\n0.338251 0.966337 0.679762 C\n0.357367 0.453092 0.983814 C\n0.822171 0.486358 0.409463 C\n0.822113 0.996435 0.094287 C\n0.449454 0.048197 0.488512 C\n0.698462 0.080430 0.464907 O\n0.531987 0.431732 0.114476 O\n0.265673 0.090413 0.351307 O\n0.108102 0.404365 0.012538 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"H",
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"O"
],
"chemical_system": "C-H-O-Ti",
"density": 1.658359979308369,
"density_atomic": 0.11521393370393473,
"volume": 208.30813798678903,
"volume_molar": 5.226920535041444,
"formula_full": "Ti1 H12 C7 O4",
"formula_reduced": "TiH12C7O4",
"formula_anonymous": "AB4C7D12",
"energy_above_hull": 4.579515930555555,
"spacegroup": 1
},
{
"id": "jvasp-112104",
"created_at": "2022-09-04T14:38:44.508949Z",
"updated_at": "2022-09-04T14:38:44.508973Z",
"structure_string": "Sn1 H20 C11 O4\n1.0\n5.140604 0.039453 -0.448142\n-0.092959 6.486453 -0.911936\n0.167084 0.042248 9.441153\nSn H C O\n1 20 11 4\ndirect\n0.912569 0.924884 0.106166 Sn\n0.174916 0.460960 0.510341 H\n0.287330 0.042928 0.309664 H\n-0.028104 0.086574 0.379691 H\n0.811574 0.575408 0.929159 H\n0.005708 0.742844 0.841857 H\n0.293534 0.602159 0.674333 H\n0.095634 0.264875 0.271286 H\n0.709374 0.674800 0.565206 H\n0.428068 0.773316 0.479513 H\n0.661729 0.788563 0.854300 H\n0.716807 0.379160 0.365389 H\n0.409596 0.029936 0.716538 H\n0.161642 0.092495 0.592455 H\n0.576383 0.220978 0.533415 H\n0.641193 0.354759 0.706509 H\n0.433189 0.459260 0.930379 H\n0.163863 0.402120 0.024667 H\n0.028931 0.390003 0.766673 H\n0.990494 0.149185 0.824699 H\n0.414703 0.464806 0.291014 H\n0.295950 0.337096 0.943267 C\n0.136829 0.259799 0.802592 C\n0.483357 0.307766 0.624517 C\n0.297434 0.160245 0.681341 C\n0.597072 0.514577 0.352663 C\n0.438872 0.160654 0.001510 C\n0.354001 0.502536 0.578698 C\n0.733703 0.650944 0.265397 C\n0.092375 0.104191 0.290961 C\n0.839342 0.732607 0.906278 C\n0.528916 0.630187 0.498504 C\n0.603139 0.803864 0.223055 O\n0.318647 0.994655 0.006363 O\n0.683130 0.186180 0.042046 O\n0.967169 0.622292 0.232363 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
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"H",
"C",
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],
"chemical_system": "C-H-O-Sn",
"density": 1.7629613236432367,
"density_atomic": 0.11409641381995128,
"volume": 315.52262507399615,
"volume_molar": 5.278115725445307,
"formula_full": "Sn1 H20 C11 O4",
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},
{
"id": "jvasp-112117",
"created_at": "2022-09-04T14:38:44.510978Z",
"updated_at": "2022-09-04T14:38:44.511007Z",
"structure_string": "Cd1 H16 C10 O4\n1.0\n3.855210 0.019031 -0.226362\n-0.552241 4.323129 -0.567902\n-0.249571 -0.028419 15.038359\nCd H C O\n1 16 10 4\ndirect\n0.480044 0.038907 0.147716 Cd\n0.503252 0.858316 0.526525 H\n0.212635 0.628690 0.921456 H\n0.808239 0.644161 0.966089 H\n0.927217 0.507223 0.764118 H\n0.509178 0.521008 0.801937 H\n0.644270 0.403810 0.603314 H\n0.221115 0.394294 0.639392 H\n0.366399 0.299622 0.440943 H\n0.936288 0.257422 0.474067 H\n0.011621 0.064715 0.853622 H\n0.602615 0.098548 0.895510 H\n0.752596 0.961134 0.690271 H\n0.334178 0.966173 0.728863 H\n0.276409 0.750405 0.362743 H\n0.852109 0.702520 0.396838 H\n0.081137 0.839022 0.563474 H\n0.135851 0.367486 0.029257 C\n-0.003941 0.485374 0.945341 C\n0.825867 0.231204 0.870600 C\n0.704784 0.362925 0.785774 C\n0.553454 0.114783 0.707359 C\n0.160637 0.131523 0.459587 C\n0.292740 -0.000190 0.543413 C\n0.056044 0.876938 0.379691 C\n0.902155 0.981163 0.295090 C\n0.427819 0.247932 0.623194 C\n0.403443 0.515523 0.078188 O\n0.968532 0.844893 0.217868 O\n0.688722 0.181581 0.299385 O\n-0.002036 0.108580 0.048823 O\n",
"nsites": 31,
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"elements": [
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],
"chemical_system": "C-Cd-H-O",
"density": 2.072570552646454,
"density_atomic": 0.12375812199795191,
"volume": 250.488610359755,
"volume_molar": 4.866057001171739,
"formula_full": "Cd1 H16 C10 O4",
"formula_reduced": "CdH16(C5O2)2",
"formula_anonymous": "AB4C10D16",
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"spacegroup": 1
},
{
"id": "jvasp-112088",
"created_at": "2022-09-04T14:38:44.368486Z",
"updated_at": "2022-09-04T14:38:44.368517Z",
"structure_string": "Zn1 H10 C7 O4\n1.0\n4.376179 -0.283869 -0.242252\n-1.898842 4.311990 -0.444440\n-0.123655 -0.561932 9.880578\nZn H C O\n1 10 7 4\ndirect\n0.216083 0.448313 0.815803 Zn\n-0.174500 0.473614 0.386521 H\n0.424042 0.916453 0.202004 H\n0.987992 0.619149 0.166561 H\n0.078292 0.186086 0.369989 H\n0.341797 0.024575 0.427323 H\n0.708364 0.298393 0.959357 H\n0.259717 0.328844 0.128256 H\n0.721679 0.007917 0.561108 H\n0.471617 0.585717 0.557534 H\n0.565309 0.635825 0.325685 H\n-0.014632 0.784786 0.654783 C\n0.725191 0.776038 0.544827 C\n0.795910 0.694350 0.397709 C\n0.109505 0.966196 0.356415 C\n0.157572 0.878477 0.204568 C\n0.089659 0.069827 0.109246 C\n0.840913 0.949460 -0.000680 C\n0.620483 0.640415 0.950367 O\n0.958140 0.507513 0.667495 O\n0.219748 0.042337 0.729244 O\n0.814099 0.165643 0.918127 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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],
"chemical_system": "C-H-O-Zn",
"density": 2.0667050176955635,
"density_atomic": 0.12247747601023475,
"volume": 179.6248642334986,
"volume_molar": 4.916937347318264,
"formula_full": "Zn1 H10 C7 O4",
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"formula_anonymous": "AB4C7D10",
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"spacegroup": 1
},
{
"id": "jvasp-116680",
"created_at": "2022-09-04T14:38:44.437994Z",
"updated_at": "2022-09-04T14:38:44.438026Z",
"structure_string": "Mg1 Mo6 Se8\n1.0\n6.793690 -0.030954 -0.546471\n-0.633797 6.796093 -0.093130\n-0.049039 0.035337 6.853289\nMg Mo Se\n1 6 8\ndirect\n0.870994 0.085240 0.004179 Mg\n0.584819 0.448848 0.763108 Mo\n0.409578 0.552266 0.235558 Mo\n0.460375 0.763379 0.581082 Mo\n0.540904 0.237028 0.422187 Mo\n0.766390 0.590729 0.454855 Mo\n0.234141 0.410041 0.544514 Mo\n0.807569 0.774629 0.782089 Se\n0.203617 0.212964 0.217061 Se\n0.871995 0.262900 0.635580 Se\n0.131282 0.732290 0.365356 Se\n0.629088 0.884712 0.260641 Se\n0.373688 0.112924 0.736138 Se\n0.273418 0.612984 0.863954 Se\n0.726139 0.394070 0.134696 Se\n",
"nsites": 15,
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"elements": [
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],
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"density": 6.469204773646319,
"density_atomic": 0.04744763434360128,
"volume": 316.13799523437945,
"volume_molar": 12.692183379237616,
"formula_full": "Mg1 Mo6 Se8",
"formula_reduced": "Mg(Mo3Se4)2",
"formula_anonymous": "AB6C8",
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"spacegroup": 1
},
{
"id": "jvasp-112822",
"created_at": "2022-09-04T14:38:44.439691Z",
"updated_at": "2022-09-04T14:38:44.439735Z",
"structure_string": "Li3 Fe4 O3 F9\n1.0\n5.398554 0.034157 -0.985384\n-1.048382 5.484273 -0.845413\n0.136343 0.291554 6.660006\nLi Fe O F\n3 4 3 9\ndirect\n0.040885 0.005002 0.032243 Li\n0.820822 0.634150 0.343186 Li\n0.262988 0.590740 0.142613 Li\n0.745740 0.433461 0.840612 Fe\n0.165116 0.353395 0.612685 Fe\n0.596963 0.145836 0.365889 Fe\n0.393159 0.860298 0.661984 Fe\n0.474053 0.584697 0.765779 O\n0.807492 0.355486 0.568805 O\n0.339910 0.121760 0.512609 O\n0.894722 0.669724 0.076438 F\n0.628944 0.095822 0.868230 F\n0.099858 0.333955 0.909118 F\n0.886178 0.147608 0.242414 F\n0.177222 0.612596 0.421868 F\n0.091539 0.853987 0.766227 F\n0.518418 0.406493 0.231613 F\n0.674496 0.867458 0.485797 F\n0.381483 0.927528 0.151905 F\n",
"nsites": 19,
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"elements": [
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"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 3.8497997056586235,
"density_atomic": 0.09510129639778726,
"volume": 199.7869715732085,
"volume_molar": 6.332343499094633,
"formula_full": "Li3 Fe4 O3 F9",
"formula_reduced": "Li3Fe4(OF3)3",
"formula_anonymous": "A3B3C4D9",
"energy_above_hull": 1.324409739078947,
"spacegroup": 1
},
{
"id": "jvasp-112089",
"created_at": "2022-09-04T14:38:44.392384Z",
"updated_at": "2022-09-04T14:38:44.392413Z",
"structure_string": "H6 C6 S2 N2 O2\n1.0\n4.418654 -0.233889 2.088257\n-0.014597 6.193485 2.486530\n0.080037 -0.147670 7.073518\nH C S N O\n6 6 2 2 2\ndirect\n0.531838 0.160365 0.015157 H\n0.537657 0.253884 0.579811 H\n0.598977 0.435653 0.869710 H\n0.531801 0.660365 0.515153 H\n0.537621 0.753879 0.079807 H\n0.598941 0.935654 0.369707 H\n0.127895 0.254869 0.846178 C\n0.127857 0.754878 0.346170 C\n0.618531 0.778790 0.344942 C\n0.949053 0.748615 0.219524 C\n0.618568 0.278789 0.844947 C\n0.949089 0.248615 0.719528 C\n0.094598 0.213035 0.479079 S\n0.094561 0.713024 0.979079 S\n0.434084 0.266113 0.736125 N\n0.434049 0.766115 0.236119 N\n-0.008444 0.751456 0.543032 O\n-0.008408 0.251438 0.043041 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.7302873353554262,
"density_atomic": 0.09273516121725904,
"volume": 194.10113449665303,
"volume_molar": 6.493913075636312,
"formula_full": "H6 C6 S2 N2 O2",
"formula_reduced": "H3C3SNO",
"formula_anonymous": "ABCD3E3",
"energy_above_hull": 4.61999075,
"spacegroup": 1
}
]
}