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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=128",
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"results": [
{
"id": "jvasp-42714",
"created_at": "2022-09-04T14:37:13.472412Z",
"updated_at": "2022-09-04T14:37:13.472438Z",
"structure_string": "Fe8 O10 F6\n1.0\n4.522991 -0.004341 -0.024087\n-0.146195 7.428063 0.004680\n-0.200978 -1.862183 7.194057\nFe O F\n8 10 6\ndirect\n0.462981 0.760684 0.743881 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 -0.000000 Fe\n0.537019 0.239316 0.256119 Fe\n0.042903 0.888364 0.118900 Fe\n0.027579 0.617244 0.347602 Fe\n0.972421 0.382756 0.652398 Fe\n0.957097 0.111636 0.881100 Fe\n0.200765 0.908364 0.903131 O\n0.213306 0.661493 0.139382 O\n0.304679 0.535740 0.778926 O\n0.298970 0.777601 0.516373 O\n0.307687 0.032419 0.279281 O\n0.695322 0.464260 0.221074 O\n0.692314 0.967581 0.720719 O\n0.786694 0.338507 0.860618 O\n0.799235 0.091636 0.096869 O\n0.701030 0.222399 0.483627 O\n0.192355 0.148985 0.669028 F\n0.796921 0.606815 0.590542 F\n0.807645 0.851015 0.330972 F\n0.725202 0.733375 0.964172 F\n0.274799 0.266625 0.035828 F\n0.203079 0.393185 0.409458 F\n",
"nsites": 24,
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],
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"density_atomic": 0.09930013275848808,
"volume": 241.69151977239935,
"volume_molar": 6.064584802365468,
"formula_full": "Fe8 O10 F6",
"formula_reduced": "Fe4O5F3",
"formula_anonymous": "A3B4C5",
"energy_above_hull": 2.439891695625,
"spacegroup": 2
},
{
"id": "jvasp-51436",
"created_at": "2022-09-04T14:37:13.668054Z",
"updated_at": "2022-09-04T14:37:13.668082Z",
"structure_string": "Ti2 Zn2 O6\n1.0\n5.521779 -0.064338 -0.066075\n2.036437 5.149339 -0.022077\n2.469572 1.540398 4.982818\nTi Zn O\n2 2 6\ndirect\n0.245465 0.095866 0.918409 Ti\n0.754534 0.904131 0.081594 Ti\n0.553940 0.413860 0.259165 Zn\n0.446059 0.586141 0.740836 Zn\n0.289137 0.358944 0.608702 O\n0.105436 0.853689 0.843900 O\n0.548564 0.773225 0.956920 O\n0.710865 0.641057 0.391297 O\n0.894565 0.146310 0.156101 O\n0.451436 0.226774 0.043081 O\n",
"nsites": 10,
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"elements": [
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"Zn",
"O"
],
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"density": 3.74139897469829,
"density_atomic": 0.06985379953129232,
"volume": 143.15613563039346,
"volume_molar": 8.621063994238808,
"formula_full": "Ti2 Zn2 O6",
"formula_reduced": "TiZnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.5300338466666663,
"spacegroup": 2
},
{
"id": "jvasp-42359",
"created_at": "2022-09-04T14:37:13.882882Z",
"updated_at": "2022-09-04T14:37:13.882900Z",
"structure_string": "Mn6 O8 F4\n1.0\n5.412021 -0.005188 0.017894\n1.675724 5.216328 -0.009855\n2.142788 1.494121 6.587727\nMn O F\n6 8 4\ndirect\n0.500000 0.500000 0.000000 Mn\n0.858222 0.797019 0.154166 Mn\n0.500000 0.500000 0.500000 Mn\n0.855583 0.848209 0.672183 Mn\n0.144417 0.151791 0.327817 Mn\n0.141777 0.202980 0.845835 Mn\n0.852044 0.495616 0.830565 O\n0.147955 0.504384 0.169436 O\n0.804862 0.191934 0.500923 O\n0.390405 0.411324 0.795297 O\n0.939231 0.947535 0.869127 O\n0.609594 0.588676 0.204703 O\n0.195138 0.808065 0.499077 O\n0.060768 0.052464 0.130874 O\n0.747633 0.737525 0.467725 F\n0.531578 0.096261 0.182692 F\n0.252367 0.262474 0.532275 F\n0.468421 0.903738 0.817309 F\n",
"nsites": 18,
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"elements": [
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"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.7649815145267675,
"density_atomic": 0.09679544115327644,
"volume": 185.95917106774522,
"volume_molar": 6.221512798793785,
"formula_full": "Mn6 O8 F4",
"formula_reduced": "Mn3(O2F)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.6760318099042144,
"spacegroup": 2
},
{
"id": "jvasp-9207",
"created_at": "2022-09-04T14:37:14.283627Z",
"updated_at": "2022-09-04T14:37:14.283646Z",
"structure_string": "Ca4 Fe4 O8\n1.0\n-3.263694 0.023108 -0.024718\n0.035408 7.740005 0.023734\n-0.046424 -2.475272 -7.460279\nCa Fe O\n4 4 8\ndirect\n0.754266 0.215842 0.057706 Ca\n0.269754 0.812367 0.922213 Ca\n0.274696 0.079185 0.674249 Ca\n0.749335 0.949017 0.305666 Ca\n0.247080 0.576969 0.184981 Fe\n0.207809 0.355751 0.436385 Fe\n0.816237 0.672448 0.543547 Fe\n0.777011 0.451247 0.794933 Fe\n0.310002 0.568277 0.669052 O\n0.246185 0.805069 0.428370 O\n0.777856 0.223125 0.551542 O\n0.714096 0.459927 0.310873 O\n0.768351 0.679994 0.057455 O\n0.250592 0.081091 0.181569 O\n0.255663 0.348207 0.922459 O\n0.773431 0.947109 0.798342 O\n",
"nsites": 16,
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"elements": [
"Ca",
"Fe",
"O"
],
"chemical_system": "Ca-Fe-O",
"density": 4.5132714785041355,
"density_atomic": 0.08498803531857084,
"volume": 188.26179402812738,
"volume_molar": 7.085868896046941,
"formula_full": "Ca4 Fe4 O8",
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"formula_anonymous": "ABC2",
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"spacegroup": 2
},
{
"id": "jvasp-10150",
"created_at": "2022-09-04T14:37:15.147017Z",
"updated_at": "2022-09-04T14:37:15.147028Z",
"structure_string": "K2 S2 O8\n1.0\n5.068557 0.076910 -0.124033\n-0.095819 5.478476 -0.124438\n-1.882941 -1.917234 6.539809\nK S O\n2 2 8\ndirect\n0.369712 0.192616 0.272162 K\n0.630288 0.807385 0.727839 K\n0.095842 0.284220 0.747408 S\n0.904158 0.715782 0.252592 S\n0.218502 0.096277 0.847616 O\n0.781499 0.903725 0.152385 O\n0.810639 0.208730 0.618870 O\n0.189362 0.791271 0.381130 O\n0.914442 0.456420 0.058596 O\n0.085559 0.543582 0.941405 O\n0.731346 0.596099 0.337234 O\n0.268655 0.403902 0.662767 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"S",
"O"
],
"chemical_system": "K-O-S",
"density": 2.5055825308921618,
"density_atomic": 0.06698225903516804,
"volume": 179.15191534074089,
"volume_molar": 8.990650430046209,
"formula_full": "K2 S2 O8",
"formula_reduced": "KSO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.7039386666666672,
"spacegroup": 2
},
{
"id": "jvasp-34663",
"created_at": "2022-09-04T14:37:14.949678Z",
"updated_at": "2022-09-04T14:37:14.949711Z",
"structure_string": "Rb2 S2 O8 F2\n1.0\n5.492050 0.025328 0.057022\n-0.359228 5.501961 -0.010196\n-2.087658 -1.501493 7.016097\nRb S O F\n2 2 8 2\ndirect\n0.107947 0.336226 0.245272 Rb\n0.892052 0.663775 0.754728 Rb\n0.381809 0.225305 0.790777 S\n0.618191 0.774696 0.209222 S\n0.160604 0.185642 0.856579 O\n0.648570 0.615798 0.345911 O\n0.371304 0.738933 0.067846 O\n0.351429 0.384203 0.654089 O\n0.568919 0.054009 0.317692 O\n0.431080 0.945992 0.682308 O\n0.839396 0.814358 0.143421 O\n0.628695 0.261067 0.932153 O\n0.796242 0.149014 0.488703 F\n0.203757 0.850987 0.511297 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
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"S",
"O",
"F"
],
"chemical_system": "F-O-Rb-S",
"density": 3.131454281176245,
"density_atomic": 0.0658291513200705,
"volume": 212.67173766117764,
"volume_molar": 9.148136713352892,
"formula_full": "Rb2 S2 O8 F2",
"formula_reduced": "RbSO4F",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.5058306117857143,
"spacegroup": 2
},
{
"id": "jvasp-103870",
"created_at": "2022-09-04T14:37:14.999565Z",
"updated_at": "2022-09-04T14:37:14.999591Z",
"structure_string": "Sn1 H18 C10 O4\n1.0\n4.858637 0.078362 -0.647931\n-2.426168 7.108811 -1.326587\n-0.029732 0.122809 8.454368\nSn H C O\n1 18 10 4\ndirect\n0.838615 0.700547 0.319283 Sn\n0.595853 0.372067 0.906932 H\n0.248509 0.024425 0.462648 H\n0.768881 0.335525 0.240099 H\n0.428756 0.376690 0.175831 H\n0.544146 0.370789 0.385294 H\n0.574585 0.233181 0.714885 H\n0.132866 0.030313 0.253209 H\n0.138663 0.442612 0.789386 H\n0.908311 0.065561 0.398513 H\n0.684346 0.540008 0.637996 H\n0.592660 0.678148 0.794868 H\n0.992810 0.861058 0.000564 H\n0.084483 0.722894 0.843707 H\n0.538461 0.958439 0.849142 H\n0.531708 0.084040 0.040957 H\n0.102493 0.167849 0.923598 H\n0.081260 0.028947 0.731566 H\n0.145416 0.317047 0.597555 H\n0.235018 0.117271 0.841950 C\n0.392377 -0.000604 0.925464 C\n0.177866 0.827005 0.958438 C\n0.499286 0.574062 0.680120 C\n0.284740 0.401660 0.713059 C\n0.301542 0.729875 0.079374 C\n0.375658 0.671225 0.559200 C\n0.062117 -0.007020 0.363982 C\n0.615053 0.408122 0.274557 C\n0.442077 0.283757 0.796546 C\n0.104734 0.650270 0.539717 O\n0.134591 0.627405 0.155302 O\n0.572463 0.750831 0.098841 O\n0.542652 0.773711 0.483304 O\n",
"nsites": 33,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 1.8099372707542996,
"density_atomic": 0.1120677906209014,
"volume": 294.4646255375117,
"volume_molar": 5.373658860083595,
"formula_full": "Sn1 H18 C10 O4",
"formula_reduced": "SnH18(C5O2)2",
"formula_anonymous": "AB4C10D18",
"energy_above_hull": 4.552645627272727,
"spacegroup": 2
},
{
"id": "jvasp-10571",
"created_at": "2022-09-04T14:37:15.302444Z",
"updated_at": "2022-09-04T14:37:15.302452Z",
"structure_string": "Rb2 Sb4 Se8\n1.0\n6.473446 0.147010 -0.005126\n1.835547 6.891353 -0.052938\n0.816405 1.464322 9.575227\nRb Sb Se\n2 4 8\ndirect\n0.175400 0.185223 0.560155 Rb\n0.824601 0.814776 0.439845 Rb\n0.844072 0.812856 0.955276 Sb\n0.155929 0.187144 0.044724 Sb\n0.446196 0.598505 0.167275 Sb\n0.553805 0.401494 0.832725 Sb\n0.228302 0.852447 0.880265 Se\n0.771698 0.147552 0.119735 Se\n0.320611 0.933091 0.273628 Se\n0.679390 0.066908 0.726372 Se\n0.390971 0.600292 0.584256 Se\n0.609030 0.399707 0.415744 Se\n0.084934 0.491330 0.212880 Se\n0.915067 0.508670 0.787120 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
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"Sb",
"Se"
],
"chemical_system": "Rb-Sb-Se",
"density": 5.037868249468242,
"density_atomic": 0.03293456984544072,
"volume": 425.0852543604143,
"volume_molar": 18.285165976848706,
"formula_full": "Rb2 Sb4 Se8",
"formula_reduced": "Rb(SbSe2)2",
"formula_anonymous": "AB2C4",
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"spacegroup": 2
},
{
"id": "jvasp-9516",
"created_at": "2022-09-04T14:37:15.774937Z",
"updated_at": "2022-09-04T14:37:15.774967Z",
"structure_string": "Zn2 Fe2 P2 O10\n1.0\n5.148941 -0.239037 -0.151130\n-0.907486 5.501986 0.131297\n-2.047597 -2.154808 6.287172\nZn Fe P O\n2 2 2 10\ndirect\n0.274505 0.164772 0.785523 Zn\n0.733990 0.825066 0.243622 Zn\n0.004259 0.494905 0.514549 Fe\n0.004244 0.494931 0.014549 Fe\n0.669418 0.846638 0.748590 P\n0.339079 0.143207 0.280515 P\n0.742659 0.720458 0.926216 O\n0.906207 0.864188 0.651088 O\n0.265833 0.269410 0.102902 O\n0.102282 0.125660 0.378013 O\n0.627841 0.290396 0.463865 O\n0.353953 0.865196 0.179562 O\n0.380661 0.699434 0.565239 O\n0.654541 0.124652 0.849532 O\n0.885470 0.536058 0.251994 O\n0.123031 0.453777 0.777110 O\n",
"nsites": 16,
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"elements": [
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],
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"density": 4.375292720561643,
"density_atomic": 0.09076940257914815,
"volume": 176.27085279148432,
"volume_molar": 6.634549296222234,
"formula_full": "Zn2 Fe2 P2 O10",
"formula_reduced": "ZnFePO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.2296548625,
"spacegroup": 2
},
{
"id": "jvasp-104017",
"created_at": "2022-09-04T14:37:16.012368Z",
"updated_at": "2022-09-04T14:37:16.012386Z",
"structure_string": "H12 Pb1 C8 O4\n1.0\n3.973777 -0.075285 -0.191299\n-0.907342 4.236377 -0.083682\n-0.186372 0.042976 12.961316\nH Pb C O\n12 1 8 4\ndirect\n0.498668 0.236453 0.542486 H\n0.062634 0.143524 0.574849 H\n0.033088 0.161987 0.160957 H\n0.604612 0.093873 0.198632 H\n0.408442 0.717720 0.450868 H\n0.260902 0.194501 0.351189 H\n0.178744 0.684750 0.259778 H\n0.752395 0.617107 0.298290 H\n0.950532 0.667888 0.074594 H\n0.514580 0.575240 0.107022 H\n-0.020076 0.649448 0.488509 H\n0.834514 0.126741 0.389674 H\n0.006533 0.905760 0.824752 Pb\n0.385573 0.542420 0.657712 C\n0.279737 0.340263 0.559847 C\n0.183287 0.529374 0.467629 C\n0.057710 0.316138 0.371419 C\n0.955519 0.495403 0.278048 C\n0.829810 0.282148 0.181851 C\n0.733365 0.471265 0.089633 C\n0.627204 0.269076 0.991786 C\n0.234098 0.452420 0.741150 O\n0.615710 0.798404 0.655784 O\n0.778331 0.359028 0.908287 O\n0.397079 0.013107 -0.006219 O\n",
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"elements": [
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"O"
],
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"density": 2.9006894237234824,
"density_atomic": 0.11511169542842009,
"volume": 217.18036474882564,
"volume_molar": 5.231562907302281,
"formula_full": "H12 Pb1 C8 O4",
"formula_reduced": "H12Pb(C2O)4",
"formula_anonymous": "AB4C8D12",
"energy_above_hull": 4.5312781928,
"spacegroup": 2
},
{
"id": "jvasp-85236",
"created_at": "2022-09-04T14:37:16.028396Z",
"updated_at": "2022-09-04T14:37:16.028417Z",
"structure_string": "V2 I2 N2 Cl6\n1.0\n5.932099 0.064986 0.427329\n2.290582 6.456547 3.510727\n0.075601 0.023840 8.161685\nV I N Cl\n2 2 2 6\ndirect\n0.748868 0.525187 0.849259 V\n0.251131 0.474814 0.150741 V\n0.711192 0.182326 0.678771 I\n0.288807 0.817676 0.321229 I\n0.707398 0.402994 0.739706 N\n0.292602 0.597007 0.260294 N\n0.850603 0.663690 0.072797 Cl\n0.777999 0.815676 0.605878 Cl\n0.149396 0.336311 0.927203 Cl\n0.659203 0.273889 0.142044 Cl\n0.222000 0.184325 0.394121 Cl\n0.340796 0.726112 0.857955 Cl\n",
"nsites": 12,
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"elements": [
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"N",
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],
"chemical_system": "Cl-I-N-V",
"density": 3.187382142963597,
"density_atomic": 0.03861994521033443,
"volume": 310.7202750973578,
"volume_molar": 15.593343613518426,
"formula_full": "V2 I2 N2 Cl6",
"formula_reduced": "VINCl3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.6433693212500002,
"spacegroup": 2
},
{
"id": "jvasp-9527",
"created_at": "2022-09-04T14:37:16.164770Z",
"updated_at": "2022-09-04T14:37:16.164795Z",
"structure_string": "V2 Zn2 S2 F10\n1.0\n6.029803 0.336833 -0.038310\n-2.459929 5.913441 -0.347110\n-2.640369 -1.881516 7.477571\nV Zn S F\n2 2 2 10\ndirect\n-0.002249 0.500807 -0.000664 V\n0.497765 0.000799 -0.000664 V\n0.695616 0.605197 0.264947 Zn\n0.299868 0.396379 0.733715 Zn\n0.651960 0.648914 0.535628 S\n0.343478 0.352586 0.463020 S\n0.296662 0.116450 0.830321 F\n0.681936 0.528206 0.913372 F\n0.698864 0.885141 0.168348 F\n0.313550 0.473374 0.085289 F\n-0.018200 0.393630 0.760149 F\n0.584489 0.242092 0.195864 F\n0.013727 0.608010 0.238522 F\n0.411057 0.759533 0.802803 F\n0.812141 0.182676 -0.020396 F\n0.183389 0.818936 0.019060 F\n",
"nsites": 16,
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"elements": [
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"S",
"F"
],
"chemical_system": "F-S-V-Zn",
"density": 3.011629917182102,
"density_atomic": 0.05960854317930046,
"volume": 268.41790029782385,
"volume_molar": 10.102814863107133,
"formula_full": "V2 Zn2 S2 F10",
"formula_reduced": "VZnSF5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 0.2848770015625,
"spacegroup": 2
}
]
}