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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4504",
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"results": [
{
"id": "jvasp-57049",
"created_at": "2022-09-04T14:37:30.347419Z",
"updated_at": "2022-09-04T14:37:30.347439Z",
"structure_string": "K6 Si2 Cu1 O8\n1.0\n6.179716 -0.014796 -0.008104\n2.264142 6.273837 0.018098\n0.291349 0.825614 7.500626\nK Si Cu O\n6 2 1 8\ndirect\n0.657082 0.829925 0.166003 K\n0.798895 0.304652 0.973793 K\n0.275153 0.809114 0.558503 K\n0.724848 0.190886 0.441498 K\n0.201106 0.695347 0.026208 K\n0.342919 0.170074 0.833998 K\n0.780569 0.762331 0.732321 Si\n0.219432 0.237668 0.267680 Si\n-0.000000 0.500000 0.500000 Cu\n0.742983 0.772421 0.510653 O\n0.562093 0.725589 0.843358 O\n0.833324 0.972809 0.785365 O\n0.166677 0.027190 0.214636 O\n0.019653 0.543531 0.754430 O\n0.437907 0.274410 0.156643 O\n0.980348 0.456468 0.245571 O\n0.257018 0.227578 0.489349 O\n",
"nsites": 17,
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"elements": [
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],
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"density": 2.7525310350670162,
"density_atomic": 0.05842691899844852,
"volume": 290.9617739804391,
"volume_molar": 10.307133874644176,
"formula_full": "K6 Si2 Cu1 O8",
"formula_reduced": "K6Cu(SiO4)2",
"formula_anonymous": "AB2C6D8",
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"spacegroup": 2
},
{
"id": "jvasp-47722",
"created_at": "2022-09-04T14:37:30.552173Z",
"updated_at": "2022-09-04T14:37:30.552193Z",
"structure_string": "Li3 V2 O6\n1.0\n4.908466 0.073670 -0.107243\n-2.341290 4.389165 0.001367\n-1.088663 -1.648741 4.786802\nLi V O\n3 2 6\ndirect\n0.004303 0.500335 -0.000283 Li\n0.680384 0.884971 -0.038534 Li\n0.328272 0.115735 0.038093 Li\n0.832508 0.676867 0.455332 V\n0.176173 0.323898 0.544161 V\n0.801745 0.297657 0.258717 O\n0.206953 0.703099 0.740774 O\n0.960023 0.085073 0.738695 O\n0.426469 0.555300 0.275624 O\n0.582243 0.445497 0.723822 O\n0.048691 0.915706 0.260808 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Li",
"V",
"O"
],
"chemical_system": "Li-O-V",
"density": 3.5245844966982944,
"density_atomic": 0.10675739435718393,
"volume": 103.03735929706856,
"volume_molar": 5.640958920233104,
"formula_full": "Li3 V2 O6",
"formula_reduced": "Li3V2O6",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 2.5538399454545453,
"spacegroup": 2
},
{
"id": "jvasp-36516",
"created_at": "2022-09-04T14:37:31.783309Z",
"updated_at": "2022-09-04T14:37:31.783339Z",
"structure_string": "Sn10 S8 Cl4\n1.0\n7.301429 -0.020632 -0.067627\n3.609032 8.404092 0.134541\n3.529208 2.968418 9.675847\nSn S Cl\n10 8 4\ndirect\n0.181312 0.733370 0.700259 Sn\n0.818688 0.266631 0.299741 Sn\n0.265896 0.145883 0.423861 Sn\n0.272149 0.354632 0.053979 Sn\n0.734104 0.854117 0.576139 Sn\n0.727851 0.645369 0.946021 Sn\n0.109573 0.717703 0.241215 Sn\n0.890427 0.282297 0.758785 Sn\n0.571404 0.790092 0.244208 Sn\n0.428596 0.209908 0.755792 Sn\n0.031552 0.652143 0.039797 S\n0.332965 0.964885 0.679007 S\n0.224535 0.873339 0.416962 S\n0.492909 0.477121 0.804089 S\n0.507091 0.522879 0.195911 S\n0.667035 0.035115 0.320993 S\n0.775465 0.126661 0.583038 S\n0.968448 0.347857 0.960202 S\n0.753681 0.549698 0.446172 Cl\n0.261318 0.947327 0.052605 Cl\n0.738682 0.052673 0.947395 Cl\n0.246319 0.450303 0.553828 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sn",
"S",
"Cl"
],
"chemical_system": "Cl-S-Sn",
"density": 4.441048067620916,
"density_atomic": 0.03711175030379061,
"volume": 592.8041609439507,
"volume_molar": 16.227045910537118,
"formula_full": "Sn10 S8 Cl4",
"formula_reduced": "Sn5(S2Cl)2",
"formula_anonymous": "A2B4C5",
"energy_above_hull": 1.0293724213636364,
"spacegroup": 2
},
{
"id": "jvasp-44569",
"created_at": "2022-09-04T14:37:30.928382Z",
"updated_at": "2022-09-04T14:37:30.928408Z",
"structure_string": "Li2 Mg1 Cu2 Si4 O12\n1.0\n5.234538 0.029784 -0.003597\n0.741723 5.701410 0.025720\n1.293021 0.601136 7.367845\nLi Mg Cu Si O\n2 1 2 4 12\ndirect\n0.918230 0.756796 0.413585 Li\n0.081769 0.243204 0.586416 Li\n0.000000 0.000000 0.000000 Mg\n0.494240 0.835232 0.183604 Cu\n0.505759 0.164768 0.816396 Cu\n0.304037 0.774445 0.626587 Si\n0.784539 0.585960 0.815878 Si\n0.215460 0.414040 0.184123 Si\n0.695963 0.225555 0.373414 Si\n0.401406 0.355704 0.348542 O\n0.761480 0.319671 0.907958 O\n0.914105 0.420059 0.306862 O\n0.085894 0.579941 0.693138 O\n0.238520 0.680329 0.092042 O\n0.770930 -0.000316 0.249971 O\n0.269600 0.859616 0.418872 O\n0.737172 0.797301 0.949363 O\n0.730400 0.140384 0.581128 O\n0.229070 0.000316 0.750029 O\n0.598594 0.644296 0.651458 O\n0.262827 0.202699 0.050637 O\n",
"nsites": 21,
"nelements": 5,
"elements": [
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"Mg",
"Cu",
"Si",
"O"
],
"chemical_system": "Cu-Li-Mg-O-Si",
"density": 3.5499252745786625,
"density_atomic": 0.09559794530442375,
"volume": 219.66999325275492,
"volume_molar": 6.299445810077812,
"formula_full": "Li2 Mg1 Cu2 Si4 O12",
"formula_reduced": "Li2MgCu2(SiO3)4",
"formula_anonymous": "AB2C2D4E12",
"energy_above_hull": 2.3679603023809523,
"spacegroup": 2
},
{
"id": "jvasp-42799",
"created_at": "2022-09-04T14:37:31.508592Z",
"updated_at": "2022-09-04T14:37:31.508614Z",
"structure_string": "Li5 Mn1 Ni4 O10\n1.0\n-2.888113 -0.005585 0.015701\n1.425752 6.294798 0.036708\n-0.206924 -1.955025 -9.410960\nLi Mn Ni O\n5 1 4 10\ndirect\n0.399267 0.809011 0.202032 Li\n0.199949 0.399997 0.599995 Li\n0.000782 0.990992 0.997967 Li\n0.795841 0.605115 0.404232 Li\n0.604088 0.194886 0.795768 Li\n0.700023 0.400001 0.100001 Mn\n0.488982 0.998875 0.499798 Ni\n0.911007 0.801121 0.700202 Ni\n0.091387 0.200681 0.301236 Ni\n0.308624 0.599318 0.898765 Ni\n0.921451 0.909083 0.361127 O\n0.239337 0.494141 0.234366 O\n0.053641 0.080930 0.642796 O\n0.346315 0.719063 0.557201 O\n0.478560 0.890919 0.838876 O\n0.160710 0.305861 0.965637 O\n0.559921 0.121865 0.151913 O\n0.619696 0.277913 0.444402 O\n0.840118 0.678136 0.048088 O\n0.780295 0.522086 0.755602 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Ni",
"O"
],
"chemical_system": "Li-Mn-Ni-O",
"density": 4.709870518308188,
"density_atomic": 0.11710520206436786,
"volume": 170.78660595288355,
"volume_molar": 5.142504904854593,
"formula_full": "Li5 Mn1 Ni4 O10",
"formula_reduced": "Li5Mn(Ni2O5)2",
"formula_anonymous": "AB4C5D10",
"energy_above_hull": 2.1944100920689658,
"spacegroup": 2
},
{
"id": "jvasp-53045",
"created_at": "2022-09-04T14:37:31.700173Z",
"updated_at": "2022-09-04T14:37:31.700197Z",
"structure_string": "Na2 Yb2 F8\n1.0\n5.631938 -0.004130 0.075010\n-0.004433 5.636262 -0.025752\n-2.747601 -2.836605 4.819519\nYb Na F\n2 2 8\ndirect\n0.014477 0.004839 -0.000479 Yb\n0.735397 0.245172 0.500473 Yb\n0.484925 0.494508 -0.001137 Na\n0.265193 0.755486 0.501147 Na\n0.370383 0.884467 0.241212 F\n0.878995 0.370133 0.259030 F\n0.100948 0.610703 0.723652 F\n0.649065 0.639296 0.776366 F\n0.871112 0.879976 0.241188 F\n0.650398 0.137120 0.776003 F\n0.099582 0.112863 0.723954 F\n0.379526 0.365432 0.258594 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Yb",
"Na",
"F"
],
"chemical_system": "F-Na-Yb",
"density": 5.87633451295839,
"density_atomic": 0.07805530538923336,
"volume": 153.73714752841428,
"volume_molar": 7.715222853808308,
"formula_full": "Na2 Yb2 F8",
"formula_reduced": "NaYbF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 2
},
{
"id": "jvasp-36103",
"created_at": "2022-09-04T14:37:31.836355Z",
"updated_at": "2022-09-04T14:37:31.836375Z",
"structure_string": "Ag2 S2 O8\n1.0\n4.783927 -0.254018 0.155410\n2.008014 4.175194 -0.084230\n2.282175 0.174723 8.061240\nAg S O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500001 0.499999 0.500000 Ag\n0.847740 0.582871 0.758076 S\n0.152262 0.417126 0.241924 S\n0.756572 0.758900 0.913514 O\n0.072824 0.257263 0.769003 O\n0.546327 0.587007 0.739388 O\n0.000578 0.731176 0.608034 O\n-0.000577 0.268823 0.391966 O\n0.453674 0.412991 0.260612 O\n0.927178 0.742735 0.230997 O\n0.243429 0.241098 0.086486 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ag",
"S",
"O"
],
"chemical_system": "Ag-O-S",
"density": 4.134270656578211,
"density_atomic": 0.07325178886893652,
"volume": 163.81852491644437,
"volume_molar": 8.221151801186627,
"formula_full": "Ag2 S2 O8",
"formula_reduced": "AgSO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.9253702100000003,
"spacegroup": 2
},
{
"id": "jvasp-12600",
"created_at": "2022-09-04T14:37:31.937932Z",
"updated_at": "2022-09-04T14:37:31.937954Z",
"structure_string": "K2 H2 Se2 O6\n1.0\n5.001686 -0.009525 0.015840\n-0.136768 5.723962 -0.036810\n-1.996453 -2.259909 5.953121\nK H Se O\n2 2 2 6\ndirect\n0.358613 0.639808 0.221677 K\n0.641388 0.360193 0.778323 K\n0.265240 0.104129 0.053989 H\n0.734761 0.895871 0.946011 H\n0.945661 0.177417 0.329744 Se\n0.054340 0.822583 0.670256 Se\n0.240138 0.115197 0.900599 O\n0.759863 0.884803 0.099401 O\n0.848578 0.402680 0.223878 O\n0.151422 0.597320 0.776122 O\n0.283693 0.153140 0.322569 O\n0.716308 0.846860 0.677431 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"K",
"H",
"Se",
"O"
],
"chemical_system": "H-K-O-Se",
"density": 3.2599708025631964,
"density_atomic": 0.07050693631742389,
"volume": 170.1960207996518,
"volume_molar": 8.541203283728256,
"formula_full": "K2 H2 Se2 O6",
"formula_reduced": "KHSeO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.683480311111111,
"spacegroup": 2
},
{
"id": "jvasp-10242",
"created_at": "2022-09-04T14:37:32.519502Z",
"updated_at": "2022-09-04T14:37:32.519527Z",
"structure_string": "Tl6 Sb2 S8\n1.0\n6.330501 0.114263 -0.015890\n-1.662343 6.177237 -0.015775\n-1.823724 -1.631005 11.591397\nTl Sb S\n6 2 8\ndirect\n0.496955 0.523416 0.494609 Tl\n0.216198 0.682202 0.201396 Tl\n0.040228 0.969432 0.484170 Tl\n0.977854 -0.006635 -0.000200 Tl\n0.321025 0.810678 0.777387 Tl\n0.559375 0.499553 0.978977 Tl\n0.832026 0.275807 0.732044 Sb\n0.705185 0.217080 0.246731 Sb\n0.078977 0.196558 0.262771 S\n0.545545 0.040007 0.392852 S\n0.832603 0.903053 0.715296 S\n0.458249 0.296320 0.716002 S\n-0.008331 0.452884 0.585924 S\n0.505827 0.045128 0.057346 S\n0.704611 0.589846 0.263475 S\n0.031379 0.447763 0.921420 S\n",
"nsites": 16,
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"elements": [
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],
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"density": 6.298932397818693,
"density_atomic": 0.03515697899150315,
"volume": 455.10167423278693,
"volume_molar": 17.129289639634425,
"formula_full": "Tl6 Sb2 S8",
"formula_reduced": "Tl3SbS4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.0135342375,
"spacegroup": 2
},
{
"id": "jvasp-31871",
"created_at": "2022-09-04T14:37:32.133540Z",
"updated_at": "2022-09-04T14:37:32.133564Z",
"structure_string": "Ta2 Te4 Br10 O1\n1.0\n6.922785 0.020359 0.439596\n2.329350 8.389399 1.236490\n-0.007549 -0.011804 9.216561\nTa Te Br O\n2 4 10 1\ndirect\n0.508891 0.643762 0.633634 Ta\n0.491109 0.356239 0.366366 Ta\n0.921451 0.805136 0.004808 Te\n0.820882 0.098142 0.837726 Te\n0.078550 0.194864 0.995192 Te\n0.179118 0.901859 0.162274 Te\n0.159841 0.805387 0.574362 Br\n0.374549 0.475403 0.840201 Br\n0.840160 0.194613 0.425639 Br\n0.866246 0.478818 0.710010 Br\n0.625451 0.524598 0.159799 Br\n0.479825 0.157094 0.178798 Br\n0.520175 0.842907 0.821203 Br\n0.336143 0.196668 0.559368 Br\n0.663857 0.803333 0.440632 Br\n0.133754 0.521183 0.289990 Br\n0.500000 0.500000 0.500000 O\n",
"nsites": 17,
"nelements": 4,
"elements": [
"Ta",
"Te",
"Br",
"O"
],
"chemical_system": "Br-O-Ta-Te",
"density": 5.23757132035248,
"density_atomic": 0.03177813586390443,
"volume": 534.9590068091328,
"volume_molar": 18.950579057849392,
"formula_full": "Ta2 Te4 Br10 O1",
"formula_reduced": "Ta2Te4Br10O",
"formula_anonymous": "AB2C4D10",
"energy_above_hull": 1.3245649421568628,
"spacegroup": 2
},
{
"id": "jvasp-30656",
"created_at": "2022-09-04T14:37:32.454314Z",
"updated_at": "2022-09-04T14:37:32.454339Z",
"structure_string": "Mg4 Sn4 O8\n1.0\n3.173911 -0.343345 0.931562\n0.601245 9.200028 1.405814\n0.618574 0.892043 8.799118\nMg Sn O\n4 4 8\ndirect\n0.401679 0.006386 0.350956 Mg\n0.594329 0.973531 0.677258 Mg\n0.203420 0.778654 0.122844 Mg\n0.792632 0.201271 0.905355 Mg\n0.350425 0.291236 0.579670 Sn\n0.026293 0.314707 0.205305 Sn\n0.969726 0.665203 0.822892 Sn\n0.645635 0.688684 0.448530 Sn\n0.211851 0.843635 0.587913 O\n0.383896 0.305383 0.810874 O\n0.612156 0.674541 0.217327 O\n0.784164 0.136279 0.440291 O\n0.026003 0.080828 0.741464 O\n0.578055 0.186302 0.144207 O\n0.970028 0.899092 0.286742 O\n0.417964 0.793606 0.883994 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"O"
],
"chemical_system": "Mg-O-Sn",
"density": 4.656008842279846,
"density_atomic": 0.06408441080121362,
"volume": 249.6707046216144,
"volume_molar": 9.397200792998403,
"formula_full": "Mg4 Sn4 O8",
"formula_reduced": "MgSnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5957619375,
"spacegroup": 2
},
{
"id": "jvasp-35168",
"created_at": "2022-09-04T14:37:33.878775Z",
"updated_at": "2022-09-04T14:37:33.878803Z",
"structure_string": "Li2 Be2 B2 O6\n1.0\n4.639841 0.001593 0.003013\n2.267852 4.114677 -0.015198\n1.826048 1.498429 5.352627\nLi Be B O\n2 2 2 6\ndirect\n0.745700 0.127963 0.663418 Li\n0.254299 0.872038 0.336582 Li\n0.360050 0.727304 0.841728 Be\n0.639949 0.272697 0.158271 Be\n0.072147 0.403006 0.767233 B\n0.927853 0.596994 0.232767 B\n0.332695 0.099758 0.759517 O\n0.667304 0.900242 0.240482 O\n0.124803 0.690483 0.706552 O\n0.875197 0.309517 0.293448 O\n0.744800 0.422385 0.837957 O\n0.255200 0.577616 0.162042 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
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"Be",
"B",
"O"
],
"chemical_system": "B-Be-Li-O",
"density": 2.4279655260588804,
"density_atomic": 0.11734417581885166,
"volume": 102.26327737411376,
"volume_molar": 5.132032091048635,
"formula_full": "Li2 Be2 B2 O6",
"formula_reduced": "LiBeBO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 2.179619863888889,
"spacegroup": 2
}
]
}