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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=167",
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"results": [
{
"id": "jvasp-112201",
"created_at": "2022-09-04T14:38:44.282705Z",
"updated_at": "2022-09-04T14:38:44.282734Z",
"structure_string": "Sn2 H8 C4 Cl4\n1.0\n4.338854 -0.002942 -0.632987\n-2.355741 6.310846 -1.074606\n0.132284 -0.187311 9.681492\nSn H C Cl\n2 8 4 4\ndirect\n0.770770 0.782992 0.724510 Sn\n0.134542 0.242958 0.242924 Sn\n0.564461 0.318500 0.487649 H\n0.260092 0.968791 0.047585 H\n0.645174 0.057106 0.919875 H\n0.340813 0.707454 0.479800 H\n0.723417 0.692655 0.443962 H\n0.266433 0.199151 0.979536 H\n0.638861 0.826733 -0.012100 H\n0.181847 0.333300 0.523470 H\n0.382827 0.394581 0.468665 C\n0.522450 0.631371 0.498774 C\n0.123730 0.072054 0.025070 C\n0.781549 0.953845 0.942375 C\n0.864348 0.494756 0.186818 Cl\n0.644788 0.986684 0.293238 Cl\n0.260524 0.039276 0.674212 Cl\n0.040934 0.531180 0.780608 Cl\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"Cl"
],
"chemical_system": "C-Cl-H-Sn",
"density": 2.734037303437698,
"density_atomic": 0.06807708423680353,
"volume": 264.40615372696766,
"volume_molar": 8.846061530855543,
"formula_full": "Sn2 H8 C4 Cl4",
"formula_reduced": "SnH4(CCl)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 2.984673315,
"spacegroup": 2
},
{
"id": "jvasp-112799",
"created_at": "2022-09-04T14:38:44.356655Z",
"updated_at": "2022-09-04T14:38:44.356683Z",
"structure_string": "Li2 Co2 P2 O8\n1.0\n4.519033 -0.496826 2.554404\n-1.900833 7.856735 -3.451476\n-0.009732 -0.560040 5.046163\nLi Co P O\n2 2 2 8\ndirect\n0.137605 0.477558 0.050248 Li\n0.437902 0.248942 0.525259 Li\n0.015074 0.077426 0.086684 Co\n0.560430 0.649086 0.488818 Co\n0.883825 0.619051 0.789273 P\n0.691678 0.107462 0.786231 P\n0.139494 0.547312 0.472074 O\n0.007011 0.206423 0.850884 O\n0.436014 0.179203 0.103443 O\n0.623951 0.903849 0.690248 O\n0.860376 0.568859 0.056469 O\n0.568504 0.520088 0.724605 O\n0.715139 0.157664 0.519037 O\n0.951527 0.822663 0.885239 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Co",
"P",
"O"
],
"chemical_system": "Co-Li-O-P",
"density": 3.1690740007789677,
"density_atomic": 0.08305623762240301,
"volume": 168.56048866128432,
"volume_molar": 7.250678494947416,
"formula_full": "Li2 Co2 P2 O8",
"formula_reduced": "LiCoPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.425590057142857,
"spacegroup": 2
},
{
"id": "jvasp-112124",
"created_at": "2022-09-04T14:38:44.399085Z",
"updated_at": "2022-09-04T14:38:44.399111Z",
"structure_string": "H20 Pb1 C12 O4\n1.0\n4.062518 -0.188638 -0.299567\n-0.520637 4.482624 -0.154698\n0.203465 1.838311 16.614214\nH Pb C O\n20 1 12 4\ndirect\n0.637015 0.467581 0.376571 H\n0.983112 0.342436 0.470623 H\n0.110358 0.335903 0.924753 H\n0.503271 0.314497 0.973023 H\n0.356719 0.479242 0.790083 H\n0.763625 0.463844 0.830629 H\n0.591171 0.629994 0.651593 H\n-0.000436 0.624779 0.692439 H\n0.814360 0.792333 0.512954 H\n0.220602 0.779353 0.554424 H\n0.033923 -0.041036 0.373182 H\n0.427785 -0.086891 0.417030 H\n0.312941 0.889529 0.883352 H\n0.708485 0.849203 0.927151 H\n0.519826 0.022613 0.745929 H\n0.927077 0.013383 0.787251 H\n0.743004 0.178440 0.608385 H\n0.151493 0.172636 0.649105 H\n0.245977 0.491947 0.327673 H\n0.389129 0.322548 0.511109 H\n0.874374 0.902539 0.150623 Pb\n0.217568 0.577496 0.030152 C\n0.327269 0.471024 0.954012 C\n0.485566 0.725483 0.896817 C\n0.577305 0.615678 0.818187 C\n0.709566 0.874039 0.758777 C\n0.807633 0.771132 0.679906 C\n0.257934 0.079611 0.403831 C\n0.032563 0.929640 0.541729 C\n0.167419 0.188455 0.482753 C\n0.419782 0.333767 0.347036 C\n0.530706 0.227338 0.270990 C\n0.934909 0.031965 0.620706 C\n-0.017529 0.418926 0.067837 O\n0.765426 0.386805 0.233357 O\n0.389447 -0.027910 0.246629 O\n0.360482 0.831932 0.054724 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"H",
"Pb",
"C",
"O"
],
"chemical_system": "C-H-O-Pb",
"density": 2.3893858103010124,
"density_atomic": 0.1222547961096283,
"volume": 302.64661328150567,
"volume_molar": 4.925893258698682,
"formula_full": "H20 Pb1 C12 O4",
"formula_reduced": "H20Pb(C3O)4",
"formula_anonymous": "AB4C12D20",
"energy_above_hull": 4.670607427567568,
"spacegroup": 2
},
{
"id": "jvasp-112212",
"created_at": "2022-09-04T14:38:44.407386Z",
"updated_at": "2022-09-04T14:38:44.407418Z",
"structure_string": "H26 C24\n1.0\n5.128674 0.064013 -0.567382\n-1.752537 7.348335 -1.191701\n0.039688 0.021514 10.301145\nH C\n26 24\ndirect\n0.488188 0.666319 0.148410 H\n0.234324 0.474517 0.905455 H\n0.493464 0.669454 0.917132 H\n0.506535 0.330544 0.082869 H\n0.890317 0.648646 0.870141 H\n0.109682 0.351353 0.129860 H\n0.107656 0.750106 0.018593 H\n0.892342 0.249892 0.981407 H\n0.352789 0.981350 0.901150 H\n0.647209 0.018648 0.098850 H\n0.009154 0.982795 0.883284 H\n0.990845 0.017203 0.116717 H\n0.190574 0.991072 0.669403 H\n0.765675 0.525481 0.094545 H\n0.938679 0.791464 0.657065 H\n0.809425 0.008926 0.330598 H\n0.226581 0.884089 0.235615 H\n0.773417 0.115909 0.764386 H\n0.163010 0.925726 0.470985 H\n0.836988 0.074273 0.529015 H\n0.511811 0.333679 0.851590 H\n0.079490 0.491184 0.673222 H\n0.458889 0.181194 0.291281 H\n0.541110 0.818805 0.708720 H\n0.061319 0.208534 0.342936 H\n0.920509 0.508815 0.326778 H\n0.095938 0.723055 0.909814 C\n0.715557 0.434976 0.282354 C\n0.904061 0.276943 0.090186 C\n0.152943 0.899812 0.855579 C\n0.847055 0.100187 0.144421 C\n0.142673 0.861598 0.704569 C\n0.857326 0.138401 0.295431 C\n0.337407 0.742632 0.662495 C\n0.662591 0.257366 0.337506 C\n0.284442 0.565023 0.717646 C\n0.654170 0.293603 0.486057 C\n0.555947 0.327143 0.750235 C\n0.740057 0.180890 0.568195 C\n0.259941 0.819108 0.431805 C\n0.700017 0.201958 0.700768 C\n0.299981 0.798040 0.299233 C\n0.444052 0.672855 0.249765 C\n0.468126 0.442779 0.671166 C\n0.531873 0.557219 0.328834 C\n0.534536 0.434506 0.540651 C\n0.465462 0.565493 0.459350 C\n0.711653 0.397206 0.131053 C\n0.345828 0.706395 0.513943 C\n0.288346 0.602794 0.868947 C\n",
"nsites": 50,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.3399759940964189,
"density_atomic": 0.1283063173657153,
"volume": 389.69242533462733,
"volume_molar": 4.693565276941832,
"formula_full": "H26 C24",
"formula_reduced": "H13C12",
"formula_anonymous": "A12B13",
"energy_above_hull": 5.4065868,
"spacegroup": 2
},
{
"id": "jvasp-113209",
"created_at": "2022-09-04T14:38:44.410287Z",
"updated_at": "2022-09-04T14:38:44.410304Z",
"structure_string": "Li4 Mn4 O2 F12\n1.0\n6.492005 0.066858 -3.301989\n-1.449911 5.277531 1.044425\n0.027071 -0.049616 6.897887\nLi Mn O F\n4 4 2 12\ndirect\n0.792139 0.307459 0.394785 Li\n0.918164 0.791045 0.132255 Li\n0.081837 0.208954 0.867744 Li\n0.207862 0.692540 0.605215 Li\n0.594918 0.222177 0.863373 Mn\n0.281125 0.340668 0.416926 Mn\n0.718876 0.659331 0.583074 Mn\n0.405082 0.777823 0.136627 Mn\n0.499394 0.501208 0.317186 O\n0.500606 0.498791 0.682814 O\n0.905702 0.838549 0.830836 F\n0.187920 0.687924 0.285250 F\n0.665061 0.925709 0.026531 F\n0.919127 0.717255 0.461245 F\n0.080873 0.282744 0.538755 F\n0.393037 0.019336 0.622221 F\n0.812081 0.312075 0.714750 F\n0.094298 0.161451 0.169163 F\n0.759332 0.420637 0.103969 F\n0.240669 0.579363 0.896031 F\n0.334940 0.074290 0.973469 F\n0.606963 0.980663 0.377779 F\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.547161657935099,
"density_atomic": 0.09260236888263762,
"volume": 237.57491590611852,
"volume_molar": 6.50322538469004,
"formula_full": "Li4 Mn4 O2 F12",
"formula_reduced": "Li2Mn2OF6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 1.0110563343416925,
"spacegroup": 2
},
{
"id": "jvasp-116708",
"created_at": "2022-09-04T14:38:44.580310Z",
"updated_at": "2022-09-04T14:38:44.580336Z",
"structure_string": "Cr8 Se12\n1.0\n6.646715 -0.002251 -1.639681\n-1.951096 7.034475 -0.076447\n0.043847 0.001759 8.592873\nCr Se\n8 12\ndirect\n0.491556 0.239449 0.019632 Cr\n0.809337 0.563915 0.340714 Cr\n0.178489 0.906438 0.672826 Cr\n0.508445 0.760552 0.980368 Cr\n0.821512 0.093563 0.327174 Cr\n0.190664 0.436086 0.659285 Cr\n0.830674 0.326977 0.825299 Cr\n0.169326 0.673024 0.174701 Cr\n0.442873 0.231170 0.705888 Se\n0.225780 0.436815 0.970983 Se\n0.908655 0.107680 0.633160 Se\n0.557128 0.768831 0.294111 Se\n0.894358 0.596650 0.640554 Se\n0.105643 0.403350 0.359446 Se\n0.222752 0.927621 0.973549 Se\n0.455202 0.742257 0.686362 Se\n0.774221 0.563186 0.029016 Se\n0.777249 0.072380 0.026451 Se\n0.544799 0.257744 0.313638 Se\n0.091346 0.892321 0.366840 Se\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Cr",
"Se"
],
"chemical_system": "Cr-Se",
"density": 5.628736067544842,
"density_atomic": 0.04972104048285252,
"volume": 402.24419693907,
"volume_molar": 12.111855869301202,
"formula_full": "Cr8 Se12",
"formula_reduced": "Cr2Se3",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.8246509800000004,
"spacegroup": 2
},
{
"id": "jvasp-112119",
"created_at": "2022-09-04T14:38:44.540783Z",
"updated_at": "2022-09-04T14:38:44.540806Z",
"structure_string": "Cd1 H20 C12 O4\n1.0\n4.006098 0.071004 0.098143\n0.895957 4.091261 -0.005047\n-0.291601 -0.036606 17.388322\nCd H C O\n1 20 12 4\ndirect\n0.183181 0.060792 0.854035 Cd\n0.622433 0.744684 0.515515 H\n0.728414 0.213586 0.589137 H\n0.560580 0.408328 0.049519 H\n0.178208 0.292066 0.164575 H\n0.743561 0.377127 0.192569 H\n0.364816 0.268153 0.303886 H\n0.932942 0.345698 0.333800 H\n0.552763 0.238959 0.444890 H\n0.120375 0.316794 0.474518 H\n0.006040 0.294617 0.027521 H\n0.290870 0.300024 0.616044 H\n0.075357 0.821736 0.092080 H\n0.637767 0.908204 0.118944 H\n0.245630 0.804960 0.233601 H\n0.813225 0.882786 0.263217 H\n0.433015 0.776051 0.374308 H\n0.001145 0.853581 0.404225 H\n0.805679 0.713488 0.658538 H\n0.360263 0.827159 0.680579 H\n0.187827 0.829674 0.543539 H\n0.723838 0.701828 0.964507 C\n0.788829 0.504077 0.037622 C\n0.862812 0.706751 0.106809 C\n0.955281 0.494553 0.178251 C\n0.037634 0.683563 0.248461 C\n0.140706 0.467338 0.318893 C\n0.503376 0.415028 0.601289 C\n0.328361 0.438186 0.459649 C\n0.410765 0.627216 0.529849 C\n0.577473 0.617718 0.670462 C\n0.642621 0.419963 0.743573 C\n0.225261 0.654400 0.389217 C\n0.465075 0.947380 0.963682 O\n0.437375 0.498239 0.800800 O\n0.901434 0.174456 0.744378 O\n0.929184 0.623499 0.907296 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 1.9920270042642596,
"density_atomic": 0.13028099547960598,
"volume": 284.0015142944769,
"volume_molar": 4.622424581444574,
"formula_full": "Cd1 H20 C12 O4",
"formula_reduced": "CdH20(C3O)4",
"formula_anonymous": "AB4C12D20",
"energy_above_hull": 4.59571739864865,
"spacegroup": 2
},
{
"id": "jvasp-112175",
"created_at": "2022-09-04T14:38:44.530145Z",
"updated_at": "2022-09-04T14:38:44.530162Z",
"structure_string": "Cd1 H8 C6 O4\n1.0\n3.710755 -0.114924 -0.273016\n-1.233857 4.399242 -0.117171\n0.204102 -0.099605 10.027644\nCd H C O\n1 8 6 4\ndirect\n0.006226 0.786290 0.787368 Cd\n0.242237 0.576539 0.433686 H\n0.709347 0.619117 0.483665 H\n0.163125 0.040396 0.334154 H\n0.377905 0.492234 0.189339 H\n0.303333 0.953341 0.091092 H\n0.770525 0.996096 0.141019 H\n0.634676 0.080271 0.385407 H\n0.849450 0.532130 0.240592 H\n0.707397 0.257737 0.978752 C\n0.578436 0.128091 0.110856 C\n0.569043 0.362562 0.222430 C\n0.305048 0.314878 0.595975 C\n0.434190 0.444452 0.463882 C\n0.443549 0.209953 0.352313 C\n0.899059 0.537739 0.978002 O\n0.387166 0.498881 0.701687 O\n0.113225 0.034922 0.596739 O\n0.625296 0.073791 0.873025 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.6223480663476058,
"density_atomic": 0.11696232115265943,
"volume": 162.44547656677543,
"volume_molar": 5.148786977423175,
"formula_full": "Cd1 H8 C6 O4",
"formula_reduced": "CdH8(C3O2)2",
"formula_anonymous": "AB4C6D8",
"energy_above_hull": 4.252808092105263,
"spacegroup": 2
},
{
"id": "jvasp-116749",
"created_at": "2022-09-04T14:38:44.561896Z",
"updated_at": "2022-09-04T14:38:44.561916Z",
"structure_string": "Sr6 Sb6 N10\n1.0\n6.060395 -0.030765 -0.897955\n-0.842122 7.304043 -1.374948\n-0.423389 -0.110699 10.314583\nSr Sb N\n6 6 10\ndirect\n0.726914 0.374519 0.537661 Sr\n0.273087 0.625480 0.462339 Sr\n0.734297 0.891317 0.947292 Sr\n0.265704 0.108682 0.052708 Sr\n0.730227 0.811783 0.266651 Sr\n0.269774 0.188215 0.733349 Sr\n0.799910 0.282402 0.226426 Sb\n0.266213 0.081119 0.376016 Sb\n0.200091 0.717596 0.773574 Sb\n0.220456 0.601752 0.083276 Sb\n0.779545 0.398246 0.916724 Sb\n0.733788 0.918880 0.623984 Sb\n0.351968 0.776455 0.977826 N\n-0.000236 0.925074 0.788817 N\n0.000236 0.074926 0.211182 N\n0.709861 0.685250 0.481298 N\n0.290140 0.314749 0.518702 N\n0.882148 0.638247 0.062931 N\n0.117853 0.361752 0.937069 N\n0.444363 0.875986 0.705565 N\n0.555638 0.124013 0.294435 N\n0.648033 0.223543 0.022174 N\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sr",
"Sb",
"N"
],
"chemical_system": "N-Sb-Sr",
"density": 5.124051269396999,
"density_atomic": 0.048617619858204446,
"volume": 452.51083998278864,
"volume_molar": 12.386745335464495,
"formula_full": "Sr6 Sb6 N10",
"formula_reduced": "Sr3Sb3N5",
"formula_anonymous": "A3B3C5",
"energy_above_hull": 3.142150316363636,
"spacegroup": 2
},
{
"id": "jvasp-112236",
"created_at": "2022-09-04T14:38:44.643292Z",
"updated_at": "2022-09-04T14:38:44.643319Z",
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{
"id": "jvasp-112192",
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"structure_string": "H16 Pb2 C12 O8\n1.0\n4.177594 -0.006561 -0.646738\n-0.536071 7.620613 -0.907912\n-0.186629 0.055463 10.859189\nH Pb C O\n16 2 12 8\ndirect\n0.238114 0.833347 0.680568 H\n0.579802 0.132656 0.284461 H\n0.545926 0.631142 0.302259 H\n0.526361 0.348949 0.339924 H\n0.533794 0.858980 0.337149 H\n0.098023 0.883333 0.455448 H\n0.135648 0.156289 0.413352 H\n0.131861 0.657802 0.411628 H\n0.107387 0.381608 0.459014 H\n0.652183 0.806704 0.571203 H\n0.676678 0.082884 0.523828 H\n0.685998 0.581172 0.527374 H\n0.257718 0.115525 0.642910 H\n0.250246 0.605511 0.645657 H\n0.204308 0.331821 0.698372 H\n0.648448 0.308205 0.569497 H\n0.149884 0.489056 0.015275 Pb\n0.634025 0.975463 0.967563 Pb\n0.711514 0.260852 0.317838 C\n0.833216 0.330007 0.208420 C\n0.809042 0.787740 0.198156 C\n0.966431 0.254263 0.434985 C\n0.961680 0.754468 0.433944 C\n0.695847 0.754880 0.319062 C\n0.975022 0.676721 0.784661 C\n0.822351 0.710034 0.548879 C\n0.072578 0.203628 0.665001 C\n0.088194 0.709607 0.663757 C\n0.950903 0.134489 0.774430 C\n0.817648 0.210225 0.547858 C\n0.675286 0.687343 0.094802 O\n0.774474 0.550900 0.787887 O\n0.696454 0.032523 0.754026 O\n0.108771 0.777106 0.888018 O\n0.115539 0.173531 0.887314 O\n0.009624 0.913542 0.194925 O\n0.087642 0.431995 0.228840 O\n0.668626 0.290967 0.095528 O\n",
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{
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}