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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=3410",
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"results": [
{
"id": "jvasp-48694",
"created_at": "2022-09-04T14:35:42.307515Z",
"updated_at": "2022-09-04T14:35:42.307553Z",
"structure_string": "Li4 Fe4 O2 F8\n1.0\n2.860657 0.000000 0.000000\n-1.430329 4.863668 0.000000\n0.000000 0.000000 12.762734\nLi Fe O F\n4 4 2 8\ndirect\n0.225100 0.450200 0.888174 Li\n0.774901 0.549801 0.388175 Li\n0.488811 0.977620 0.992314 Li\n0.511190 0.022380 0.492314 Li\n0.037829 0.075658 0.257992 Fe\n0.249404 0.498807 0.616536 Fe\n0.962172 0.924343 0.757992 Fe\n0.750597 0.501193 0.116536 Fe\n0.675929 0.351856 0.254233 O\n0.324072 0.648145 0.754233 O\n0.127177 0.254353 0.028431 F\n0.151318 0.302638 0.465949 F\n0.421562 0.843124 0.143613 F\n0.420727 0.841453 0.352755 F\n0.578439 0.156877 0.643613 F\n0.872824 0.745647 0.528431 F\n0.579274 0.158548 0.852755 F\n0.848683 0.697363 0.965949 F\n",
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{
"id": "jvasp-36718",
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"updated_at": "2022-09-04T14:37:53.256604Z",
"structure_string": "Na8 Zr4 O12\n1.0\n-5.346638 0.000000 1.811553\n-2.673319 4.895430 0.905776\n-5.334296 0.000000 -9.743276\nNa Zr O\n8 4 12\ndirect\n0.915158 0.669685 0.250000 Na\n0.084843 0.330315 0.750000 Na\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.500000 Na\n0.841976 0.342341 0.499722 Na\n0.315683 0.342341 0.000278 Na\n0.158024 0.657659 0.500278 Na\n0.684318 0.657659 0.999722 Na\n0.750306 0.999388 0.750000 Zr\n0.249695 0.000612 0.250000 Zr\n0.582034 0.335933 0.250000 Zr\n0.417967 0.664067 0.750000 Zr\n0.048228 0.699023 0.857361 O\n0.679600 0.330578 0.855862 O\n0.489822 0.330578 0.644139 O\n0.320401 0.669422 0.144138 O\n0.510178 0.669422 0.355862 O\n0.879363 0.039603 0.355563 O\n0.581034 0.039603 0.144438 O\n0.120638 0.960397 0.644437 O\n0.418967 0.960397 0.855563 O\n0.951773 0.300977 0.142640 O\n0.247250 0.300977 0.357361 O\n0.752751 0.699023 0.642640 O\n",
"nsites": 24,
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"elements": [
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"density_atomic": 0.07938405774806989,
"volume": 302.32770509370346,
"volume_molar": 7.586083315508547,
"formula_full": "Na8 Zr4 O12",
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"formula_anonymous": "AB2C3",
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"spacegroup": 15
},
{
"id": "jvasp-28345",
"created_at": "2022-09-04T14:37:51.998026Z",
"updated_at": "2022-09-04T14:37:51.998051Z",
"structure_string": "Ga2 N2\n1.0\n3.211252 -0.000000 0.000000\n-1.605626 2.781153 -0.000000\n-0.000000 -0.000000 7.652274\nGa N\n2 2\ndirect\n0.333348 0.666697 0.940006 Ga\n0.666650 0.333302 0.440006 Ga\n-0.000016 -0.000034 0.439993 N\n0.000016 0.000034 0.939993 N\n",
"nsites": 4,
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],
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"volume": 68.34233002734912,
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"formula_full": "Ga2 N2",
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"spacegroup": 194
},
{
"id": "jvasp-120869",
"created_at": "2022-09-04T14:38:52.136879Z",
"updated_at": "2022-09-04T14:38:52.136901Z",
"structure_string": "Ba1 Tl1 O1\n1.0\n4.243786 0.000000 0.000000\n0.000000 4.243786 0.000000\n0.000000 0.000000 8.106221\nBa Tl O\n1 1 1\ndirect\n0.000000 0.000000 0.441394 Ba\n0.000000 0.000000 -0.023030 Tl\n0.000000 0.000000 0.716961 O\n",
"nsites": 3,
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"elements": [
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],
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"density_atomic": 0.02054924468658589,
"volume": 145.99076733746503,
"volume_molar": 29.30589835222083,
"formula_full": "Ba1 Tl1 O1",
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"formula_anonymous": "ABC",
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"spacegroup": 99
},
{
"id": "jvasp-112503",
"created_at": "2022-09-04T14:38:41.381347Z",
"updated_at": "2022-09-04T14:38:41.381368Z",
"structure_string": "Li8 Mn6 O14\n1.0\n2.959000 -0.004377 0.086217\n1.432840 6.194973 0.619449\n0.023258 0.013211 13.559733\nLi Mn O\n8 6 14\ndirect\n0.678818 0.660649 0.429619 Li\n0.565595 0.214764 0.140671 Li\n0.434407 0.785235 0.859329 Li\n0.067385 0.935396 0.296538 Li\n0.000000 0.500000 0.000000 Li\n0.932617 0.064602 0.703462 Li\n0.321184 0.339350 0.570382 Li\n0.000000 -0.000000 0.500000 Li\n0.800528 0.576128 0.220779 Mn\n0.199473 0.423871 0.779221 Mn\n0.733127 0.143412 0.926897 Mn\n0.382465 0.278572 0.365638 Mn\n0.617536 0.721427 0.634362 Mn\n0.266874 0.856587 0.073104 Mn\n0.575403 0.451243 0.889708 O\n0.657490 0.882717 0.178479 O\n0.094047 0.728960 0.735662 O\n0.108557 0.165956 0.037581 O\n0.209035 0.598970 0.322555 O\n0.790967 0.401029 0.677445 O\n0.342511 0.117282 0.821521 O\n0.522633 0.990385 0.390178 O\n0.891444 0.834043 0.962420 O\n0.905954 0.271039 0.264338 O\n0.153827 0.678713 0.547074 O\n0.477368 0.009613 0.609822 O\n0.424598 0.548756 0.110292 O\n0.846174 0.321286 0.452927 O\n",
"nsites": 28,
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"elements": [
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],
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"density_atomic": 0.11262510446865297,
"volume": 248.612422000401,
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"formula_full": "Li8 Mn6 O14",
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"spacegroup": 2
},
{
"id": "jvasp-93923",
"created_at": "2022-09-04T14:36:01.085939Z",
"updated_at": "2022-09-04T14:36:01.085967Z",
"structure_string": "Ce2 Mg4\n1.0\n5.749655 0.000000 -0.000000\n-2.874828 4.979348 -0.000000\n-0.000000 0.000000 5.380916\nCe Mg\n2 4\ndirect\n0.666666 0.333333 0.500000 Ce\n0.333333 0.666667 0.500000 Ce\n0.684545 1.000000 0.000000 Mg\n0.315454 0.315455 0.000000 Mg\n-0.000000 0.684546 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n",
"nsites": 6,
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"elements": [
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"density": 4.068556487511633,
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"volume": 154.05311286451962,
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"formula_full": "Ce2 Mg4",
"formula_reduced": "CeMg2",
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"spacegroup": 189
},
{
"id": "jvasp-93722",
"created_at": "2022-09-04T14:36:14.424150Z",
"updated_at": "2022-09-04T14:36:14.424164Z",
"structure_string": "Ce2 Mg4\n1.0\n5.751579 0.000000 -0.000000\n-2.875790 4.981014 0.000000\n-0.000000 0.000000 5.377320\nCe Mg\n2 4\ndirect\n0.666667 0.333333 0.500000 Ce\n0.333333 0.666666 0.500000 Ce\n0.684729 0.999999 0.000000 Mg\n0.315270 0.315270 0.000000 Mg\n-0.000000 0.684729 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n",
"nsites": 6,
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],
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"density": 4.068554096474691,
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"volume": 154.05320339955372,
"volume_molar": 15.462167923350385,
"formula_full": "Ce2 Mg4",
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"spacegroup": 189
},
{
"id": "jvasp-36727",
"created_at": "2022-09-04T14:38:05.201616Z",
"updated_at": "2022-09-04T14:38:05.201643Z",
"structure_string": "Rb2 Ba2 Si2 H2 O8\n1.0\n0.000000 5.940888 -0.024179\n8.175521 0.000000 0.000000\n0.000000 -2.849092 -5.297386\nRb Ba Si H O\n2 2 2 2 8\ndirect\n0.365541 0.229258 0.711683 Rb\n0.634461 0.729258 0.288318 Rb\n0.013470 0.484411 0.004912 Ba\n0.986531 0.984411 0.995089 Ba\n0.694809 0.245929 0.377653 Si\n0.305192 0.745928 0.622348 Si\n0.513292 0.009448 0.454748 H\n0.486709 0.509447 0.545253 H\n0.844463 0.241203 0.208919 O\n0.155538 0.741203 0.791082 O\n0.885914 0.236256 0.681703 O\n0.114088 0.736255 0.318298 O\n0.493011 0.399365 0.309684 O\n0.506990 0.899365 0.690317 O\n0.507795 0.071132 0.305247 O\n0.492206 0.571132 0.694754 O\n",
"nsites": 16,
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"elements": [
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"H",
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],
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"density_atomic": 0.06205002468982901,
"volume": 257.85646468280385,
"volume_molar": 9.705299538723835,
"formula_full": "Rb2 Ba2 Si2 H2 O8",
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"formula_anonymous": "ABCDE4",
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"spacegroup": 4
},
{
"id": "jvasp-91424",
"created_at": "2022-09-04T14:36:02.362516Z",
"updated_at": "2022-09-04T14:36:02.362541Z",
"structure_string": "Ca12 Nb16 O48 F8\n1.0\n10.562804 -0.000000 -0.000000\n0.000000 10.562804 -0.000000\n-0.000000 -0.000000 10.562804\nCa Nb O F\n12 16 48 8\ndirect\n0.875000 0.864650 0.614651 Ca\n0.385349 0.375000 0.635349 Ca\n0.135349 0.114651 0.625000 Ca\n0.114651 0.625000 0.135349 Ca\n0.625000 0.135349 0.114651 Ca\n0.364651 0.885349 0.125000 Ca\n0.614651 0.875000 0.864650 Ca\n0.375000 0.635349 0.385349 Ca\n0.864650 0.614651 0.875000 Ca\n0.635349 0.385349 0.375000 Ca\n0.885349 0.125000 0.364651 Ca\n0.125000 0.364651 0.885349 Ca\n0.125000 0.623592 0.626408 Nb\n0.125000 0.125000 0.125000 Nb\n0.625000 0.876407 0.373592 Nb\n0.376408 0.126408 0.375000 Nb\n0.623592 0.626408 0.125000 Nb\n0.625000 0.375000 0.875000 Nb\n0.123592 0.873592 0.875000 Nb\n0.876407 0.373592 0.625000 Nb\n0.375000 0.875000 0.625000 Nb\n0.375000 0.376408 0.126408 Nb\n0.626408 0.125000 0.623592 Nb\n0.875000 0.625000 0.375000 Nb\n0.373592 0.625000 0.876407 Nb\n0.873592 0.875000 0.123592 Nb\n0.875000 0.123592 0.873592 Nb\n0.126408 0.375000 0.376408 Nb\n0.489535 0.491667 0.811803 O\n0.258333 0.739535 0.561803 O\n0.561803 0.258333 0.739535 O\n0.188196 0.989535 0.008333 O\n0.244559 0.747753 0.948749 O\n0.744559 0.752246 0.051250 O\n0.752246 0.051250 0.744559 O\n0.239535 0.938196 0.741667 O\n0.997753 0.994559 0.801250 O\n0.198749 0.497753 0.505440 O\n0.448749 0.255440 0.252247 O\n0.551250 0.755440 0.247753 O\n0.755440 0.247753 0.551250 O\n0.010465 0.508333 0.311804 O\n0.948749 0.244559 0.747753 O\n0.260465 0.061804 0.241667 O\n0.747753 0.948749 0.244559 O\n0.510465 0.991667 0.688196 O\n0.508333 0.311804 0.010465 O\n0.811803 0.489535 0.491667 O\n0.008333 0.188196 0.989535 O\n0.698749 0.002247 0.494559 O\n0.760465 0.438196 0.758332 O\n0.438196 0.758332 0.760465 O\n0.688196 0.510465 0.991667 O\n0.247753 0.551250 0.755440 O\n0.002247 0.494559 0.698749 O\n0.311804 0.010465 0.508333 O\n0.491667 0.811803 0.489535 O\n0.252247 0.448749 0.255440 O\n0.061804 0.241667 0.260465 O\n0.989535 0.008333 0.188196 O\n0.051250 0.744559 0.752246 O\n0.505440 0.198749 0.497753 O\n0.991667 0.688196 0.510465 O\n0.741667 0.239535 0.938196 O\n0.494559 0.698749 0.002247 O\n0.739535 0.561803 0.258333 O\n0.502246 0.005440 0.301250 O\n0.938196 0.741667 0.239535 O\n0.005440 0.301250 0.502246 O\n0.301250 0.502246 0.005440 O\n0.758332 0.760465 0.438196 O\n0.255440 0.252247 0.448749 O\n0.801250 0.997753 0.994559 O\n0.497753 0.505440 0.198749 O\n0.994559 0.801250 0.997753 O\n0.241667 0.260465 0.061804 O\n0.239243 0.260756 0.739243 F\n0.510756 0.989243 0.010757 F\n0.010757 0.510756 0.989243 F\n0.489243 0.489243 0.489243 F\n0.260756 0.739243 0.239243 F\n0.739243 0.239243 0.260756 F\n0.989243 0.010757 0.510756 F\n0.760756 0.760756 0.760756 F\n",
"nsites": 84,
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"elements": [
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"F"
],
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"density": 4.06834580425725,
"density_atomic": 0.07127572152219276,
"volume": 1178.5219175065852,
"volume_molar": 8.44907723329734,
"formula_full": "Ca12 Nb16 O48 F8",
"formula_reduced": "Ca3Nb4(O6F)2",
"formula_anonymous": "A2B3C4D12",
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"spacegroup": 212
},
{
"id": "jvasp-97409",
"created_at": "2022-09-04T14:35:45.676756Z",
"updated_at": "2022-09-04T14:35:45.676767Z",
"structure_string": "Rb1 Ta1 P2 O8\n1.0\n5.027089 -0.035885 0.273621\n2.290206 4.475251 0.273621\n0.064195 0.038947 8.254241\nRb Ta P O\n1 1 2 8\ndirect\n0.000000 0.000000 0.000000 Rb\n-0.000001 0.000000 0.500000 Ta\n0.637108 0.637108 0.707456 P\n0.362892 0.362892 0.292544 P\n0.319155 0.319154 0.121870 O\n0.773809 0.300449 0.665088 O\n0.226192 0.699551 0.334912 O\n0.300449 0.773809 0.665088 O\n0.699551 0.226191 0.334912 O\n0.680846 0.680846 0.878129 O\n0.220783 0.220783 0.423733 O\n0.779217 0.779216 0.576267 O\n",
"nsites": 12,
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"elements": [
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],
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"density": 4.068301285150456,
"density_atomic": 0.06442274174067342,
"volume": 186.2696258458646,
"volume_molar": 9.347849217969422,
"formula_full": "Rb1 Ta1 P2 O8",
"formula_reduced": "RbTa(PO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.9377540166666667,
"spacegroup": 12
},
{
"id": "jvasp-5230",
"created_at": "2022-09-04T14:36:41.459591Z",
"updated_at": "2022-09-04T14:36:41.459609Z",
"structure_string": "Sn4 Br16\n1.0\n0.000000 10.226287 -0.098152\n6.910093 0.000000 0.000000\n0.000000 -2.199473 -10.106702\nSn Br\n4 16\ndirect\n0.246630 0.080380 0.870701 Sn\n0.753371 0.580380 0.629298 Sn\n0.753371 0.919620 0.129299 Sn\n0.246630 0.419620 0.370701 Sn\n0.562373 0.089090 0.194246 Br\n0.437628 0.589089 0.305753 Br\n0.313575 0.418271 0.932922 Br\n0.686425 0.918270 0.567077 Br\n0.686425 0.581729 0.067077 Br\n0.313575 0.081729 0.432922 Br\n0.053603 0.077627 0.680951 Br\n0.946397 0.922373 0.319048 Br\n0.562373 0.410910 0.694246 Br\n0.053603 0.422373 0.180951 Br\n0.186464 0.591770 0.560669 Br\n0.813537 0.091770 0.939330 Br\n0.813536 0.408230 0.439330 Br\n0.186464 0.908230 0.060669 Br\n0.946398 0.577627 0.819048 Br\n0.437628 0.910910 0.805753 Br\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Br-Sn",
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"volume": 715.677765032516,
"volume_molar": 21.549561199140086,
"formula_full": "Sn4 Br16",
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},
{
"id": "jvasp-100553",
"created_at": "2022-09-04T14:36:37.666915Z",
"updated_at": "2022-09-04T14:36:37.666942Z",
"structure_string": "Mg1 Cd1 C2 O6\n1.0\n4.393786 -0.013472 3.910715\n1.746425 4.031815 3.910715\n-0.020586 -0.013472 5.882059\nMg Cd C O\n1 1 2 6\ndirect\n0.500000 0.500001 0.500000 Mg\n0.000000 0.000000 0.000000 Cd\n0.244728 0.244728 0.244728 C\n0.755272 0.755274 0.755272 C\n0.963530 0.275023 0.496735 O\n0.275021 0.496736 0.963530 O\n0.496735 0.963531 0.275022 O\n0.036470 0.724979 0.503265 O\n0.724979 0.503266 0.036470 O\n0.503265 0.036471 0.724979 O\n",
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],
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"density": 4.067757481132811,
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"volume": 104.80381551604891,
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"formula_full": "Mg1 Cd1 C2 O6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 148
}
]
}