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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4517",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4515",
"results": [
{
"id": "jvasp-30025",
"created_at": "2022-09-04T14:38:06.586897Z",
"updated_at": "2022-09-04T14:38:06.586908Z",
"structure_string": "Zn4 C8 S8 N8\n1.0\n7.044362 -0.008263 2.511121\n-0.314024 7.647360 2.062238\n0.041248 -0.046211 10.312923\nZn C S N\n4 8 8 8\ndirect\n0.685643 0.396062 0.833457 Zn\n0.781562 0.065379 0.318900 Zn\n0.218439 0.934621 0.681100 Zn\n0.314358 0.603938 0.166543 Zn\n0.563257 0.103484 0.115296 C\n0.869095 0.703887 0.887827 C\n0.010878 0.255803 0.607917 C\n0.606261 0.424654 0.305882 C\n0.130906 0.296113 0.112173 C\n0.989123 0.744198 0.392082 C\n0.436744 0.896516 0.884704 C\n0.393740 0.575347 0.694117 C\n0.176701 0.168370 0.497092 S\n0.273954 0.680221 0.594018 S\n0.476339 0.039462 0.730994 S\n0.956849 0.882268 0.899158 S\n0.823300 0.831630 0.502908 S\n0.043151 0.117733 0.100842 S\n0.726047 0.319780 0.405981 S\n0.523661 0.960538 0.269006 S\n0.590748 0.203628 0.004272 N\n0.889484 0.318515 0.685408 N\n0.481519 0.496013 0.762870 N\n0.518482 0.503987 0.237129 N\n0.198489 0.423841 0.116907 N\n0.409253 0.796372 0.995727 N\n0.110517 0.681486 0.314591 N\n0.801512 0.576159 0.883093 N\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Zn",
"C",
"S",
"N"
],
"chemical_system": "C-N-S-Zn",
"density": 2.1712743900260225,
"density_atomic": 0.05040927714729204,
"volume": 555.4533130516065,
"volume_molar": 11.946492988589712,
"formula_full": "Zn4 C8 S8 N8",
"formula_reduced": "ZnC2(SN)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 4.009186700000001,
"spacegroup": 2
},
{
"id": "jvasp-31884",
"created_at": "2022-09-04T14:38:06.877594Z",
"updated_at": "2022-09-04T14:38:06.877610Z",
"structure_string": "Ta4 I16\n1.0\n7.090259 0.016585 0.003871\n2.662107 10.159138 1.930245\n-0.041479 0.003492 10.761142\nTa I\n4 16\ndirect\n0.114057 0.911494 0.834464 Ta\n0.885943 0.088506 0.165536 Ta\n0.188796 0.671654 0.720479 Ta\n0.811204 0.328347 0.279520 Ta\n0.920222 0.542875 0.663862 I\n0.654546 0.291409 0.504669 I\n0.969266 0.321197 0.029364 I\n0.752685 0.053495 0.921800 I\n0.510116 0.238766 0.169879 I\n0.125192 0.095406 0.364969 I\n0.030734 0.678803 0.970636 I\n0.079778 0.457126 0.336137 I\n0.345454 0.708592 0.495331 I\n0.795818 0.869342 0.284734 I\n0.204182 0.130659 0.715265 I\n0.874808 0.904594 0.635030 I\n0.489884 0.761235 0.830121 I\n0.247315 0.946506 0.078199 I\n0.430567 0.427270 0.812693 I\n0.569433 0.572730 0.187306 I\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Ta",
"I"
],
"chemical_system": "I-Ta",
"density": 5.904322541913758,
"density_atomic": 0.025819365061176783,
"volume": 774.6123869665929,
"volume_molar": 23.32412414376206,
"formula_full": "Ta4 I16",
"formula_reduced": "TaI4",
"formula_anonymous": "AB4",
"energy_above_hull": 1.0681468599999993,
"spacegroup": 2
},
{
"id": "jvasp-30040",
"created_at": "2022-09-04T14:38:07.084834Z",
"updated_at": "2022-09-04T14:38:07.084844Z",
"structure_string": "Pt2 Cl4\n1.0\n4.527994 -0.395104 -0.992681\n-0.502908 7.105591 -1.998371\n-0.058727 -0.012074 4.497386\nPt Cl\n2 4\ndirect\n0.220200 0.598916 0.287497 Pt\n0.779797 0.401084 0.712503 Pt\n0.249734 0.856786 0.112023 Cl\n0.249396 0.349268 0.531589 Cl\n0.750604 0.650734 0.468415 Cl\n0.750264 0.143216 0.887977 Cl\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pt",
"Cl"
],
"chemical_system": "Cl-Pt",
"density": 6.167530397034115,
"density_atomic": 0.04189075101171493,
"volume": 143.22970715712577,
"volume_molar": 14.375824291896514,
"formula_full": "Pt2 Cl4",
"formula_reduced": "PtCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.8064465116666666,
"spacegroup": 2
},
{
"id": "jvasp-42913",
"created_at": "2022-09-04T14:38:07.184957Z",
"updated_at": "2022-09-04T14:38:07.184984Z",
"structure_string": "Co6 O2 F10\n1.0\n5.536239 -0.002975 -0.012860\n1.868053 5.260226 -0.013015\n2.305696 1.585843 6.802287\nCo O F\n6 2 10\ndirect\n0.499999 0.500001 0.000000 Co\n0.500000 0.500000 0.500001 Co\n0.873921 0.800576 0.162521 Co\n0.826854 0.816765 0.676580 Co\n0.173145 0.183236 0.323421 Co\n0.126079 0.199425 0.837480 Co\n0.164513 0.518981 0.159251 O\n0.835486 0.481020 0.840750 O\n0.072634 0.065397 0.134467 F\n0.391081 0.408865 0.800859 F\n0.743114 0.723887 0.464606 F\n0.927366 0.934604 0.865534 F\n0.199519 0.810491 0.496732 F\n0.608919 0.591136 0.199142 F\n0.559999 0.113846 0.166777 F\n0.800481 0.189509 0.503269 F\n0.256885 0.276114 0.535395 F\n0.440001 0.886155 0.833224 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 4.818263088784071,
"density_atomic": 0.09074165836914999,
"volume": 198.36534094157102,
"volume_molar": 6.636577805864065,
"formula_full": "Co6 O2 F10",
"formula_reduced": "Co3OF5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.3292975125000002,
"spacegroup": 2
},
{
"id": "jvasp-25890",
"created_at": "2022-09-04T14:38:07.245649Z",
"updated_at": "2022-09-04T14:38:07.245677Z",
"structure_string": "K8 Pb4 O8\n1.0\n7.371571 -0.006870 0.007132\n-3.634205 -6.571763 -0.031466\n-3.460481 0.874271 -9.281555\nK Pb O\n8 4 8\ndirect\n0.236510 0.728145 0.505876 K\n0.078733 0.071819 0.826728 K\n0.932768 0.450225 0.168141 K\n0.921266 0.928181 0.173272 K\n0.603338 0.568711 0.862415 K\n0.067232 0.549775 0.831860 K\n0.396661 0.431288 0.137586 K\n0.763489 0.271854 0.494124 K\n0.402516 0.939081 0.136964 Pb\n0.706905 0.720139 0.477662 Pb\n0.293095 0.279861 0.522338 Pb\n0.597484 0.060918 0.863036 Pb\n0.499307 0.205105 0.993297 O\n0.813451 0.601134 0.349640 O\n0.944047 0.218373 0.983352 O\n0.500692 0.794895 0.006703 O\n0.055952 0.781627 0.016648 O\n0.186548 0.398865 0.650360 O\n0.662728 0.475271 0.633352 O\n0.337272 0.524729 0.366649 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"K",
"Pb",
"O"
],
"chemical_system": "K-O-Pb",
"density": 4.68604728844742,
"density_atomic": 0.04445564804782761,
"volume": 449.88659210373,
"volume_molar": 13.546401918426834,
"formula_full": "K8 Pb4 O8",
"formula_reduced": "K2PbO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.3969127639999996,
"spacegroup": 2
},
{
"id": "jvasp-31842",
"created_at": "2022-09-04T14:38:07.382936Z",
"updated_at": "2022-09-04T14:38:07.382946Z",
"structure_string": "Ti2 S2 Cl12 O2\n1.0\n6.135858 0.030862 -0.160616\n-2.965276 6.602183 -2.308994\n-0.025999 0.049465 10.771080\nTi S Cl O\n2 2 12 2\ndirect\n0.928971 0.761349 0.854321 Ti\n0.071028 0.238651 0.145679 Ti\n0.363227 0.013561 0.304197 S\n0.636772 0.986439 0.695803 S\n0.181388 0.672759 0.941732 Cl\n0.956926 0.188159 0.668426 Cl\n0.818611 0.327241 0.058268 Cl\n0.207698 0.118356 0.934734 Cl\n0.041461 0.724559 0.655246 Cl\n0.403793 0.522343 0.195831 Cl\n0.545576 0.767284 0.507403 Cl\n0.792302 0.881644 0.065266 Cl\n0.454423 0.232716 0.492597 Cl\n0.043073 0.811840 0.331573 Cl\n0.596206 0.477657 0.804169 Cl\n0.958539 0.275441 0.344754 Cl\n0.693437 0.896848 0.788563 O\n0.306563 0.103152 0.211437 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ti",
"S",
"Cl",
"O"
],
"chemical_system": "Cl-O-S-Ti",
"density": 2.340179546943284,
"density_atomic": 0.041093880552536696,
"volume": 438.02142211874593,
"volume_molar": 14.654592554969254,
"formula_full": "Ti2 S2 Cl12 O2",
"formula_reduced": "TiSCl6O",
"formula_anonymous": "ABCD6",
"energy_above_hull": 1.0193351375925928,
"spacegroup": 2
},
{
"id": "jvasp-32247",
"created_at": "2022-09-04T14:38:07.391981Z",
"updated_at": "2022-09-04T14:38:07.392011Z",
"structure_string": "As2 I6 F12\n1.0\n5.522292 0.080613 1.321916\n1.530381 7.906937 -0.016635\n-0.015842 -0.212886 10.408188\nAs I F\n2 6 12\ndirect\n0.464479 0.766211 0.804019 As\n0.535521 0.233789 0.195982 As\n0.175230 0.844706 0.221187 I\n0.903410 0.629008 0.159451 I\n0.096590 0.370991 0.840550 I\n0.226709 0.761717 0.466397 I\n0.773291 0.238283 0.533604 I\n0.824770 0.155294 0.778814 I\n0.783048 0.112866 0.071696 F\n0.216952 0.887133 0.928305 F\n0.297207 0.352965 0.322598 F\n0.433033 0.579329 0.889269 F\n0.566967 0.420671 0.110732 F\n0.678042 0.810366 0.892219 F\n0.321958 0.189633 0.107782 F\n0.485241 0.953052 0.716609 F\n0.514759 0.046948 0.283392 F\n0.702793 0.647034 0.677403 F\n0.239423 0.724252 0.717738 F\n0.760577 0.275747 0.282263 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"As",
"I",
"F"
],
"chemical_system": "As-F-I",
"density": 4.177027363945461,
"density_atomic": 0.0441599785811392,
"volume": 452.89877039347186,
"volume_molar": 13.637100726702041,
"formula_full": "As2 I6 F12",
"formula_reduced": "As(IF2)3",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 2
},
{
"id": "jvasp-44363",
"created_at": "2022-09-04T14:38:07.396023Z",
"updated_at": "2022-09-04T14:38:07.396038Z",
"structure_string": "Li8 Fe1 O6\n1.0\n5.247752 -0.069114 -0.030914\n2.336342 4.745002 0.037197\n2.336739 1.792731 4.963826\nLi Fe O\n8 1 6\ndirect\n0.227772 0.515269 0.357955 Li\n0.103214 0.757458 0.662254 Li\n0.483826 0.100684 0.643027 Li\n0.375551 0.333079 0.977697 Li\n0.624448 0.666920 0.022305 Li\n0.516173 0.899315 0.356976 Li\n0.896784 0.242541 0.337748 Li\n0.772226 0.484730 0.642047 Li\n0.000000 0.000000 0.000000 Fe\n0.104205 0.354832 0.769702 O\n0.214567 0.923567 0.234763 O\n0.587462 0.257162 0.244971 O\n0.412537 0.742837 0.755031 O\n0.785432 0.076432 0.765239 O\n0.895794 0.645168 0.230300 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
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"Fe",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 2.771141097347426,
"density_atomic": 0.12071357991931898,
"volume": 124.26108156203726,
"volume_molar": 4.988784827709528,
"formula_full": "Li8 Fe1 O6",
"formula_reduced": "Li8FeO6",
"formula_anonymous": "AB6C8",
"energy_above_hull": 1.8123384333333328,
"spacegroup": 2
},
{
"id": "jvasp-45935",
"created_at": "2022-09-04T14:38:07.529955Z",
"updated_at": "2022-09-04T14:38:07.529982Z",
"structure_string": "Li4 V2 Cr2 O8\n1.0\n5.021404 0.010070 -0.010134\n-0.868687 5.020694 0.004845\n-0.017595 -1.741129 5.671848\nLi V Cr O\n4 2 2 8\ndirect\n-0.000010 0.000009 -0.000001 Li\n0.497489 0.005206 0.757314 Li\n0.000019 -0.000015 0.499999 Li\n0.502517 0.994808 0.242701 Li\n0.747235 0.499543 0.617068 V\n0.252752 0.500441 0.382926 V\n0.248825 0.499667 0.878995 Cr\n0.751173 0.500327 0.121004 Cr\n0.876269 0.274141 0.819104 O\n0.621185 0.725653 0.930853 O\n0.372574 0.266667 0.575052 O\n0.124404 0.731436 0.689474 O\n0.875586 0.268567 0.310522 O\n0.627413 0.733332 0.424949 O\n0.378817 0.274352 0.069150 O\n0.123733 0.725863 0.180890 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"V",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O-V",
"density": 4.197351335315101,
"density_atomic": 0.11183467311373788,
"volume": 143.06833072894764,
"volume_molar": 5.384860162174726,
"formula_full": "Li4 V2 Cr2 O8",
"formula_reduced": "Li2VCrO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.64765195,
"spacegroup": 2
},
{
"id": "jvasp-9497",
"created_at": "2022-09-04T14:38:07.857023Z",
"updated_at": "2022-09-04T14:38:07.857055Z",
"structure_string": "Mn2 Zn2 Si2 O10\n1.0\n5.155341 -0.061568 -0.045824\n-1.144134 5.231379 0.008713\n-1.915281 -2.394428 6.283152\nMn Zn Si O\n2 2 2 10\ndirect\n0.004250 0.494927 0.514556 Mn\n0.004245 0.494913 0.014557 Mn\n0.304203 0.171069 0.786959 Zn\n0.704310 0.818802 0.242135 Zn\n0.688971 0.830187 0.748960 Si\n0.319528 0.159647 0.280148 Si\n0.753463 0.693477 0.934857 O\n0.942930 0.838560 0.645714 O\n0.255012 0.296339 0.094239 O\n0.065584 0.151295 0.383406 O\n0.632463 0.297950 0.469016 O\n0.319676 0.841344 0.167722 O\n0.376041 0.691898 0.560088 O\n0.688816 0.148483 0.861399 O\n0.881494 0.533289 0.247698 O\n0.127003 0.456563 0.781414 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Mn",
"Zn",
"Si",
"O"
],
"chemical_system": "Mn-O-Si-Zn",
"density": 4.501333017427448,
"density_atomic": 0.09493574414098299,
"volume": 168.53504593843417,
"volume_molar": 6.343386060214479,
"formula_full": "Mn2 Zn2 Si2 O10",
"formula_reduced": "MnZnSiO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.332706717672414,
"spacegroup": 2
},
{
"id": "jvasp-12708",
"created_at": "2022-09-04T14:38:07.506763Z",
"updated_at": "2022-09-04T14:38:07.506792Z",
"structure_string": "Mg2 Mo2 H4 O10\n1.0\n5.667948 0.009181 -0.026057\n-1.640674 5.612098 -0.005940\n-0.595630 -1.504828 6.727520\nMg Mo H O\n2 2 4 10\ndirect\n0.640799 0.708007 0.194465 Mg\n0.359202 0.291992 0.805535 Mg\n0.745062 0.879049 0.748405 Mo\n0.254939 0.120951 0.251595 Mo\n0.079249 0.597806 0.192478 H\n0.920752 0.402194 0.807521 H\n0.873208 0.351774 0.202004 H\n0.126793 0.648226 0.797996 H\n0.077603 0.967405 0.790143 O\n0.922398 0.032594 0.209857 O\n0.637999 0.767656 0.494474 O\n0.362002 0.232343 0.505526 O\n0.379097 0.359951 0.122809 O\n0.354226 0.862266 0.169724 O\n0.620904 0.640049 0.877190 O\n0.090178 0.469749 0.777870 O\n0.645775 0.137734 0.830276 O\n0.909823 0.530250 0.222130 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
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"Mo",
"H",
"O"
],
"chemical_system": "H-Mg-Mo-O",
"density": 3.14038515707756,
"density_atomic": 0.08415324691806408,
"volume": 213.89549018263935,
"volume_molar": 7.156159721161402,
"formula_full": "Mg2 Mo2 H4 O10",
"formula_reduced": "MgMoH2O5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 2.711261383333333,
"spacegroup": 2
},
{
"id": "jvasp-44148",
"created_at": "2022-09-04T14:38:07.586649Z",
"updated_at": "2022-09-04T14:38:07.586680Z",
"structure_string": "Mn6 O4 F8\n1.0\n5.618568 0.048593 -0.036348\n1.762571 5.445505 -0.001944\n2.059452 1.549032 6.839482\nMn O F\n6 4 8\ndirect\n0.704172 0.672796 0.838644 Mn\n0.308056 0.367807 0.684366 Mn\n0.691944 0.632192 0.315634 Mn\n0.295829 0.327202 0.161356 Mn\n-0.000000 -0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.969206 0.331541 0.330121 O\n0.794140 0.760944 0.036644 O\n0.030795 0.668457 0.669879 O\n0.205860 0.239054 0.963356 O\n0.332216 0.708468 0.983829 F\n0.391186 0.938956 0.336645 F\n0.926585 0.878133 0.301424 F\n0.596022 0.571913 0.626705 F\n0.073416 0.121866 0.698576 F\n0.403979 0.428085 0.373295 F\n0.608814 0.061042 0.663355 F\n0.667784 0.291530 0.016171 F\n",
"nsites": 18,
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"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.334991030298987,
"density_atomic": 0.08612452214806267,
"volume": 208.9997082254337,
"volume_molar": 6.992364787402731,
"formula_full": "Mn6 O4 F8",
"formula_reduced": "Mn3(OF2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 1.9811377615708807,
"spacegroup": 2
}
]
}