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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=130",
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"results": [
{
"id": "jvasp-9519",
"created_at": "2022-09-04T14:37:19.130169Z",
"updated_at": "2022-09-04T14:37:19.130197Z",
"structure_string": "Mg2 Si2 Ni2 O10\n1.0\n4.978610 -0.295159 0.155775\n-1.553098 5.162724 -0.038385\n-1.386975 -2.292177 6.116210\nMg Si Ni O\n2 2 2 10\ndirect\n0.869583 0.720546 0.246794 Mg\n0.136159 0.284098 0.739040 Mg\n0.196966 0.322670 0.236452 Si\n0.808776 0.681979 0.749395 Si\n0.502874 0.002325 0.492926 Ni\n0.502875 0.002330 0.992926 Ni\n0.490473 0.355341 0.142907 O\n0.202439 0.140389 0.401284 O\n0.515269 0.649310 0.842938 O\n0.803304 0.864261 0.584560 O\n0.802438 0.373114 0.615706 O\n0.092128 0.793900 0.970175 O\n0.203305 0.631538 0.370138 O\n0.913614 0.210743 0.015670 O\n0.374609 0.050729 0.740170 O\n0.631140 0.953925 0.245679 O\n",
"nsites": 16,
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"elements": [
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],
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"density_atomic": 0.10281547229853379,
"volume": 155.61860138659472,
"volume_molar": 5.857232015152528,
"formula_full": "Mg2 Si2 Ni2 O10",
"formula_reduced": "MgSiNiO5",
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"spacegroup": 2
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{
"id": "jvasp-85222",
"created_at": "2022-09-04T14:37:19.433404Z",
"updated_at": "2022-09-04T14:37:19.433435Z",
"structure_string": "W2 N1 Cl8\n1.0\n6.152622 0.015472 0.940871\n0.820953 6.231513 0.026012\n0.017065 0.003713 7.001154\nW N Cl\n2 1 8\ndirect\n0.053138 0.597346 0.231853 W\n0.946860 0.402653 0.768146 W\n-0.000000 0.500000 -0.000000 N\n0.616559 0.616233 0.776296 Cl\n0.888041 0.305052 0.411455 Cl\n0.283500 0.198780 0.687250 Cl\n0.781728 0.111972 0.874108 Cl\n0.218270 0.888027 0.125891 Cl\n0.383440 0.383766 0.223704 Cl\n0.111958 0.694947 0.588544 Cl\n0.716499 0.801219 0.312749 Cl\n",
"nsites": 11,
"nelements": 3,
"elements": [
"W",
"N",
"Cl"
],
"chemical_system": "Cl-N-W",
"density": 4.1186264874702285,
"density_atomic": 0.04100827372741729,
"volume": 268.23855286172716,
"volume_molar": 14.685184750836562,
"formula_full": "W2 N1 Cl8",
"formula_reduced": "W2NCl8",
"formula_anonymous": "AB2C8",
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"spacegroup": 2
},
{
"id": "jvasp-38010",
"created_at": "2022-09-04T14:37:19.447521Z",
"updated_at": "2022-09-04T14:37:19.447539Z",
"structure_string": "Na2 Ag2 C4 O8\n1.0\n3.226403 -0.007494 -0.232036\n0.124194 5.508565 -0.071736\n0.185613 0.170060 10.614785\nNa Ag C O\n2 2 4 8\ndirect\n0.375288 0.437202 0.156230 Na\n0.624709 0.562798 0.843769 Na\n0.697234 0.939111 0.335863 Ag\n0.302763 0.060889 0.664137 Ag\n0.071621 0.428159 0.441334 C\n0.928376 0.571841 0.558666 C\n0.908371 0.948038 0.060978 C\n0.091626 0.051962 0.939022 C\n0.118187 0.901664 0.848582 O\n0.881810 0.098336 0.151418 O\n0.200803 0.269691 0.938903 O\n0.799193 0.730309 0.061097 O\n0.015712 0.484914 0.667242 O\n-0.015715 0.515085 0.332758 O\n0.727323 0.769874 0.536703 O\n0.272673 0.230125 0.463296 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Na",
"Ag",
"C",
"O"
],
"chemical_system": "Ag-C-Na-O",
"density": 3.8473605884860564,
"density_atomic": 0.08468445849762014,
"volume": 188.9366748498444,
"volume_molar": 7.111270316700717,
"formula_full": "Na2 Ag2 C4 O8",
"formula_reduced": "NaAg(CO2)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.8670650325,
"spacegroup": 2
},
{
"id": "jvasp-49588",
"created_at": "2022-09-04T14:37:19.631578Z",
"updated_at": "2022-09-04T14:37:19.631602Z",
"structure_string": "Mg4 Ta2 Nb4 O16\n1.0\n5.216039 -0.003343 -0.004844\n-0.171398 5.966173 -0.004190\n-0.599259 -2.424944 9.664959\nMg Ta Nb O\n4 2 4 16\ndirect\n0.765528 0.418820 0.552342 Mg\n0.746926 0.861177 0.462062 Mg\n0.233399 0.583649 0.449207 Mg\n0.252216 0.141922 0.539795 Mg\n0.753107 0.655771 0.991153 Ta\n0.243062 0.348054 0.008843 Ta\n0.279759 0.991452 0.233400 Nb\n0.281120 0.755346 0.753598 Nb\n0.717883 0.248359 0.247642 Nb\n0.718352 0.010139 0.767986 Nb\n0.427092 0.298902 0.382353 O\n0.866553 0.546596 0.384408 O\n0.619836 0.157989 0.618386 O\n0.132217 0.456159 0.616596 O\n0.378844 0.844253 0.382598 O\n0.065123 0.922152 0.631649 O\n0.093762 0.673389 0.103202 O\n0.938194 0.799424 0.866161 O\n0.902573 0.330059 0.897852 O\n0.587279 0.451279 0.114536 O\n0.606094 0.912677 0.114092 O\n0.933087 0.080202 0.368799 O\n0.390691 0.091143 0.886987 O\n0.062274 0.203510 0.135353 O\n0.409200 0.550744 0.886430 O\n0.571948 0.703298 0.618680 O\n",
"nsites": 26,
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"elements": [
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"Nb",
"O"
],
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"density": 6.001325726174309,
"density_atomic": 0.08646674727796015,
"volume": 300.6936286896413,
"volume_molar": 6.9646898369392085,
"formula_full": "Mg4 Ta2 Nb4 O16",
"formula_reduced": "Mg2TaNb2O8",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 3.1205057,
"spacegroup": 2
},
{
"id": "jvasp-11213",
"created_at": "2022-09-04T14:37:19.876718Z",
"updated_at": "2022-09-04T14:37:19.876750Z",
"structure_string": "Na8 Ti2 O8\n1.0\n5.762272 0.001507 0.003348\n2.127722 5.367734 0.010089\n2.774951 0.243979 8.258517\nNa Ti O\n8 2 8\ndirect\n0.741849 0.257338 0.488580 Na\n0.258149 0.742662 0.511420 Na\n0.444986 0.742167 0.101757 Na\n0.555013 0.257833 0.898244 Na\n0.978734 0.233952 0.065402 Na\n0.021265 0.766049 0.934599 Na\n0.889275 0.772710 0.315366 Na\n0.110724 0.227290 0.684635 Na\n0.341893 0.219785 0.257863 Ti\n0.658106 0.780215 0.742138 Ti\n0.865292 0.974780 0.695153 O\n0.134707 0.025220 0.304848 O\n0.666987 0.027096 0.135256 O\n0.333011 0.972904 0.864744 O\n0.204823 0.476502 0.122833 O\n0.795175 0.523498 0.877168 O\n0.350359 0.342124 0.437383 O\n0.649640 0.657876 0.562618 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Na",
"Ti",
"O"
],
"chemical_system": "Na-O-Ti",
"density": 2.650927446470527,
"density_atomic": 0.07049147877446951,
"volume": 255.3500126957077,
"volume_molar": 8.543076219562993,
"formula_full": "Na8 Ti2 O8",
"formula_reduced": "Na4TiO4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 1.1420909259259258,
"spacegroup": 2
},
{
"id": "jvasp-11611",
"created_at": "2022-09-04T14:37:20.124959Z",
"updated_at": "2022-09-04T14:37:20.124982Z",
"structure_string": "Zn2 Cu1 As2 O8\n1.0\n-5.143490 0.019907 -0.049064\n2.030823 4.955688 0.030423\n-0.373850 -2.403410 -6.311256\nZn Cu As O\n2 1 2 8\ndirect\n0.766384 0.265737 0.815883 Zn\n0.233617 0.734264 0.184117 Zn\n0.500001 0.500001 0.500000 Cu\n0.134245 0.860615 0.725013 As\n0.865756 0.139386 0.274987 As\n0.731834 0.294088 0.509619 O\n0.268167 0.705913 0.490381 O\n0.634281 0.797647 0.147645 O\n0.365720 0.202354 0.852355 O\n0.909591 0.348129 0.121937 O\n0.813970 0.873367 0.666726 O\n0.186031 0.126634 0.333274 O\n0.090410 0.651872 0.878063 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Zn",
"Cu",
"As",
"O"
],
"chemical_system": "As-Cu-O-Zn",
"density": 4.873327943872567,
"density_atomic": 0.08079634265967128,
"volume": 160.89837203100066,
"volume_molar": 7.453481880196407,
"formula_full": "Zn2 Cu1 As2 O8",
"formula_reduced": "Zn2Cu(AsO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 1.8227671346153849,
"spacegroup": 2
},
{
"id": "jvasp-12450",
"created_at": "2022-09-04T14:37:20.144715Z",
"updated_at": "2022-09-04T14:37:20.144732Z",
"structure_string": "Pb2 C4 O8\n1.0\n-5.548317 0.036103 -0.006426\n2.291771 5.215189 -0.017979\n-0.188723 -2.459804 -6.371017\nPb C O\n2 4 8\ndirect\n0.268145 0.088287 0.257166 Pb\n0.731855 0.911714 0.742835 Pb\n0.123484 0.621812 0.494418 C\n0.876517 0.378189 0.505583 C\n0.354180 0.457024 0.955686 C\n0.645820 0.542977 0.044315 C\n0.878304 0.143299 0.433000 O\n0.121696 0.856702 0.567001 O\n0.308704 0.604590 0.873323 O\n0.691296 0.395411 0.126678 O\n0.181188 0.240540 0.974944 O\n0.818813 0.759461 0.025057 O\n0.683766 0.424979 0.585479 O\n0.316235 0.575022 0.414522 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Pb",
"C",
"O"
],
"chemical_system": "C-O-Pb",
"density": 5.295375795927752,
"density_atomic": 0.07561386259636406,
"volume": 185.15123443347542,
"volume_molar": 7.964334254615343,
"formula_full": "Pb2 C4 O8",
"formula_reduced": "Pb(CO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.3961421171428574,
"spacegroup": 2
},
{
"id": "jvasp-10935",
"created_at": "2022-09-04T14:37:20.155266Z",
"updated_at": "2022-09-04T14:37:20.155283Z",
"structure_string": "Mg1 Cr2 F12\n1.0\n-4.841805 0.038260 0.724383\n2.309128 4.458586 -1.543077\n1.260207 -0.176205 -8.640549\nMg Cr F\n1 2 12\ndirect\n-0.000001 -0.000000 0.500000 Mg\n0.230202 0.751456 0.237316 Cr\n0.769798 0.248544 0.762685 Cr\n0.825126 0.559693 0.200635 F\n0.341804 0.072152 0.694609 F\n0.776600 0.904356 0.865491 F\n0.251131 0.396141 0.364956 F\n0.707066 0.298700 -0.066375 F\n0.193725 0.806994 0.429526 F\n0.223400 0.095644 0.134510 F\n0.748870 0.603859 0.635045 F\n0.174874 0.440307 0.799366 F\n0.658196 0.927848 0.305392 F\n0.292935 0.701301 0.066376 F\n0.806275 0.193006 0.570475 F\n",
"nsites": 15,
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"elements": [
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"Cr",
"F"
],
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"density": 3.212334961363551,
"density_atomic": 0.08144678268338808,
"volume": 184.16933739801863,
"volume_molar": 7.393957823245336,
"formula_full": "Mg1 Cr2 F12",
"formula_reduced": "MgCr2F12",
"formula_anonymous": "AB2C12",
"energy_above_hull": 0.4025764826666665,
"spacegroup": 2
},
{
"id": "jvasp-12513",
"created_at": "2022-09-04T14:37:26.651891Z",
"updated_at": "2022-09-04T14:37:26.651906Z",
"structure_string": "I4 O12\n1.0\n5.033994 -0.064551 -0.048381\n-1.716998 6.608493 -0.003608\n-0.708478 -1.186999 6.741187\nI O\n4 12\ndirect\n0.003405 0.172141 0.672881 I\n0.996593 0.827858 0.327119 I\n0.797182 0.658957 0.776720 I\n0.202816 0.341043 0.223280 I\n0.225258 0.982895 0.585147 O\n0.774741 0.017105 0.414853 O\n0.792732 0.956955 0.801406 O\n0.207266 0.043044 0.198594 O\n0.842527 0.298858 0.150448 O\n0.157471 0.701142 0.849552 O\n0.784824 0.630741 0.477121 O\n0.215174 0.369259 0.522879 O\n0.267096 0.295750 0.895055 O\n0.732902 0.704249 0.104945 O\n0.257953 0.686598 0.295968 O\n0.742045 0.313401 0.704033 O\n",
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"formula_full": "I4 O12",
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},
{
"id": "jvasp-42970",
"created_at": "2022-09-04T14:37:27.059933Z",
"updated_at": "2022-09-04T14:37:27.059941Z",
"structure_string": "Mn6 O8 F4\n1.0\n4.564269 -0.043406 0.002946\n0.046435 5.494932 0.062538\n0.050285 0.539108 7.431700\nMn O F\n6 8 4\ndirect\n0.500001 0.499999 0.000000 Mn\n0.537997 0.842117 0.660075 Mn\n0.462005 0.157883 0.339925 Mn\n0.007876 0.325903 0.687661 Mn\n0.992126 0.674096 0.312340 Mn\n0.000000 0.000000 0.000000 Mn\n0.197075 0.293642 0.906041 O\n0.196152 0.953890 0.223616 O\n0.304591 0.457340 0.230472 O\n0.302198 0.127170 0.569090 O\n0.695411 0.542660 0.769528 O\n0.802927 0.706358 0.093959 O\n0.803850 0.046110 0.776385 O\n0.697804 0.872830 0.430911 O\n0.297313 0.803401 0.882617 F\n0.805416 0.371040 0.439144 F\n0.702689 0.196598 0.117384 F\n0.194587 0.628959 0.560856 F\n",
"nsites": 18,
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"elements": [
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],
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"density": 4.757545100420445,
"density_atomic": 0.09664437845097099,
"volume": 186.24983975794976,
"volume_molar": 6.231237508610099,
"formula_full": "Mn6 O8 F4",
"formula_reduced": "Mn3(O2F)2",
"formula_anonymous": "A2B3C4",
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},
{
"id": "jvasp-9540",
"created_at": "2022-09-04T14:37:28.362467Z",
"updated_at": "2022-09-04T14:37:28.362475Z",
"structure_string": "V2 Zn2 F8\n1.0\n-5.066323 -0.098568 0.056424\n-0.131817 -5.456867 0.060924\n1.391651 1.854341 5.393779\nV Zn F\n2 2 8\ndirect\n0.504538 0.000517 0.003712 V\n0.004539 0.500515 0.003713 V\n0.639311 0.694739 0.412928 Zn\n0.369774 0.306302 0.594499 Zn\n0.660414 0.991427 0.709886 F\n0.724610 0.354679 0.149994 F\n0.348663 0.009619 0.297536 F\n0.814807 0.823896 0.190889 F\n0.284467 0.646355 0.857431 F\n0.742971 0.475268 0.660103 F\n0.194270 0.177136 0.816531 F\n0.266111 0.525778 0.347323 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Zn",
"F"
],
"chemical_system": "F-V-Zn",
"density": 4.257849864551481,
"density_atomic": 0.07998592997166191,
"volume": 150.02638594377112,
"volume_molar": 7.529000115562292,
"formula_full": "V2 Zn2 F8",
"formula_reduced": "VZnF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0556363666666665,
"spacegroup": 2
},
{
"id": "jvasp-9537",
"created_at": "2022-09-04T14:37:27.578449Z",
"updated_at": "2022-09-04T14:37:27.578475Z",
"structure_string": "Zn2 Ni2 F8\n1.0\n4.948115 0.021815 -0.342049\n0.015187 5.452522 0.447832\n-2.771523 -2.235031 5.109939\nZn Ni F\n2 2 8\ndirect\n0.766635 0.813930 0.519515 Zn\n0.233973 0.189310 0.479601 Zn\n0.000365 0.501701 -0.000419 Ni\n0.500327 0.001697 -0.000440 Ni\n0.097604 0.175065 0.768765 F\n0.439353 0.522350 0.253814 F\n0.902987 0.828233 0.230278 F\n0.893871 0.291745 0.184947 F\n0.561373 0.480851 0.745251 F\n0.506160 -0.054400 0.683265 F\n0.106875 0.711561 0.814152 F\n0.494374 0.057553 0.315784 F\n",
"nsites": 12,
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"elements": [
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],
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"density": 4.8283717169534714,
"density_atomic": 0.0871895458313054,
"volume": 137.63117912344256,
"volume_molar": 6.906952780384538,
"formula_full": "Zn2 Ni2 F8",
"formula_reduced": "ZnNiF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 2
}
]
}