HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=475",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=473",
"results": [
{
"id": "jvasp-88121",
"created_at": "2022-09-04T14:35:45.728053Z",
"updated_at": "2022-09-04T14:35:45.728071Z",
"structure_string": "Tb4 B12 O24\n1.0\n6.097002 -0.000216 0.000000\n-0.005394 7.802130 0.000000\n0.000000 0.000000 8.324985\nTb B O\n4 12 24\ndirect\n0.491537 0.249954 0.499090 Tb\n0.508463 0.750046 0.500911 Tb\n0.008463 0.750046 0.999090 Tb\n0.991537 0.249953 0.000911 Tb\n0.118987 0.506105 0.315232 B\n0.118772 0.994847 0.684817 B\n0.988983 0.249985 0.499474 B\n0.381228 0.005152 0.184817 B\n0.381014 0.493895 0.815233 B\n0.488983 0.249985 0.000526 B\n0.618987 0.506105 0.184768 B\n0.618772 0.994847 0.815184 B\n0.511017 0.750014 0.999475 B\n0.011017 0.750015 0.500526 B\n0.881013 0.493895 0.684768 B\n0.881228 0.005152 0.315183 B\n0.062894 0.007110 0.839972 O\n0.436660 0.505225 0.659963 O\n0.563340 0.494775 0.340038 O\n0.839597 0.333100 0.614558 O\n0.660403 0.666899 0.114557 O\n0.063340 0.494775 0.159963 O\n0.142379 0.364832 0.416448 O\n0.857621 0.635167 0.583552 O\n0.936660 0.505224 0.840038 O\n0.437107 0.992890 0.339972 O\n0.357798 0.864901 0.082390 O\n0.160172 0.833296 0.616038 O\n0.339597 0.333101 0.885443 O\n0.339829 0.166704 0.116038 O\n0.839828 0.166704 0.383962 O\n0.160404 0.666899 0.385443 O\n0.660172 0.833296 0.883963 O\n0.642379 0.364832 0.083552 O\n0.642202 0.135099 0.917611 O\n0.357622 0.635168 0.916449 O\n0.857798 0.864900 0.417610 O\n0.937107 0.992890 0.160029 O\n0.142202 0.135099 0.582390 O\n0.562894 0.007109 0.660029 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Tb",
"B",
"O"
],
"chemical_system": "B-O-Tb",
"density": 4.819638894017436,
"density_atomic": 0.10100596507339443,
"volume": 396.01621519020796,
"volume_molar": 5.962163477794706,
"formula_full": "Tb4 B12 O24",
"formula_reduced": "Tb(BO2)3",
"formula_anonymous": "AB3C6",
"energy_above_hull": 3.217928715,
"spacegroup": 60
},
{
"id": "jvasp-8812",
"created_at": "2022-09-04T14:37:05.663529Z",
"updated_at": "2022-09-04T14:37:05.663560Z",
"structure_string": "K1 N1 O2\n1.0\n4.393646 -0.218195 -0.478745\n1.438394 3.753308 -0.038907\n1.141507 1.075989 4.137650\nK N O\n1 1 2\ndirect\n0.015646 0.964444 0.015646 K\n0.496051 0.558602 0.496051 N\n0.405876 0.404478 0.776427 O\n0.776428 0.404477 0.405876 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"N",
"O"
],
"chemical_system": "K-N-O",
"density": 1.989410780758056,
"density_atomic": 0.056310114262003434,
"volume": 71.03519593990761,
"volume_molar": 10.694598721607603,
"formula_full": "K1 N1 O2",
"formula_reduced": "KNO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.0070070625,
"spacegroup": 8
},
{
"id": "jvasp-88113",
"created_at": "2022-09-04T14:36:15.505994Z",
"updated_at": "2022-09-04T14:36:15.506024Z",
"structure_string": "P4 Au4 Cl4 F12\n1.0\n4.613576 0.000000 0.000000\n0.000000 5.396682 0.000000\n0.000000 0.000000 18.061462\nP Au Cl F\n4 4 4 12\ndirect\n0.506249 0.750000 0.352409 P\n0.006249 0.250000 0.147591 P\n0.993752 0.750000 0.852409 P\n0.493752 0.250000 0.647591 P\n0.150929 0.250000 0.031411 Au\n0.650930 0.750000 0.468589 Au\n0.849071 0.750000 0.968589 Au\n0.349071 0.250000 0.531411 Au\n0.372821 0.250000 0.917221 Cl\n0.627180 0.750000 0.082779 Cl\n0.127179 0.250000 0.417221 Cl\n0.872822 0.750000 0.582779 Cl\n0.179855 0.750000 0.329482 F\n0.116022 0.471037 0.196104 F\n0.679855 0.250000 0.170518 F\n0.383978 0.028963 0.696104 F\n0.383978 0.471037 0.696104 F\n0.616022 0.528963 0.303896 F\n0.616022 0.971037 0.303896 F\n0.820146 0.250000 0.670518 F\n0.320146 0.750000 0.829482 F\n0.883979 0.528963 0.803896 F\n0.883979 0.971037 0.803896 F\n0.116022 0.028963 0.196104 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
"P",
"Au",
"Cl",
"F"
],
"chemical_system": "Au-Cl-F-P",
"density": 4.732260615185369,
"density_atomic": 0.053369585867452024,
"volume": 449.6943270200011,
"volume_molar": 11.283843901199658,
"formula_full": "P4 Au4 Cl4 F12",
"formula_reduced": "PAuClF3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 0.2796029974999999,
"spacegroup": 62
},
{
"id": "jvasp-88112",
"created_at": "2022-09-04T14:36:10.985224Z",
"updated_at": "2022-09-04T14:36:10.985240Z",
"structure_string": "B8 Se8 O28\n1.0\n7.394319 0.000000 0.000000\n0.000000 7.942728 0.000000\n0.000000 0.000000 9.082645\nB Se O\n8 8 28\ndirect\n0.086495 0.946125 0.847337 B\n0.073933 0.979559 0.348916 B\n0.913505 0.446125 0.652664 B\n0.586495 0.553875 0.152663 B\n0.426067 0.020441 0.848917 B\n0.926067 0.479559 0.151084 B\n0.573933 0.520441 0.651084 B\n0.413505 0.053875 0.347337 B\n0.103506 0.604733 0.886106 Se\n0.896494 0.104733 0.613895 Se\n0.396494 0.395267 0.386106 Se\n0.576735 0.335189 0.910774 Se\n0.923265 0.664811 0.410774 Se\n0.076735 0.164811 0.089227 Se\n0.603506 0.895267 0.113895 Se\n0.423265 0.835189 0.589227 Se\n0.109317 0.796002 0.378215 O\n0.591856 0.965438 0.933836 O\n0.504592 0.907773 0.421074 O\n0.566488 0.525437 0.315330 O\n0.011735 0.989603 0.191467 O\n0.890683 0.296002 0.121785 O\n0.727593 0.422003 0.617491 O\n0.511735 0.510398 0.808533 O\n0.772408 0.577998 0.117491 O\n0.488265 0.010397 0.691467 O\n0.018806 0.292458 0.608528 O\n0.272408 0.922003 0.882510 O\n0.066488 0.974563 0.684670 O\n0.227593 0.077997 0.382509 O\n0.495408 0.407773 0.078927 O\n0.481194 0.707542 0.108528 O\n-0.004592 0.092227 0.921074 O\n0.408145 0.465438 0.566165 O\n0.981195 0.792458 0.891473 O\n0.091855 0.534563 0.066164 O\n0.609317 0.703999 0.621785 O\n0.933512 0.474563 0.815330 O\n0.433512 0.025437 0.184670 O\n0.908145 0.034563 0.433836 O\n0.518806 0.207542 0.391473 O\n0.988265 0.489603 0.308533 O\n0.004592 0.592227 0.578927 O\n0.390683 0.203999 0.878215 O\n",
"nsites": 44,
"nelements": 3,
"elements": [
"B",
"Se",
"O"
],
"chemical_system": "B-O-Se",
"density": 3.6301431242538005,
"density_atomic": 0.08248452231179995,
"volume": 533.4334098908337,
"volume_molar": 7.300934273748583,
"formula_full": "B8 Se8 O28",
"formula_reduced": "B2Se2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 3.0071405818181813,
"spacegroup": 19
},
{
"id": "jvasp-8811",
"created_at": "2022-09-04T14:37:04.105410Z",
"updated_at": "2022-09-04T14:37:04.105430Z",
"structure_string": "Ho2 Cd1 S4\n1.0\n7.744085 0.000023 0.000013\n7.744110 6.702077 -0.002989\n3.872064 4.466633 3.158437\nHo Cd S\n2 1 4\ndirect\n0.500007 -0.000001 0.000002 Ho\n0.749998 0.500000 0.000002 Ho\n0.250002 0.500018 0.999973 Cd\n0.994736 0.499973 0.510562 S\n0.505265 0.500004 0.489461 S\n0.253022 0.000006 0.493947 S\n0.746973 -0.000002 0.506052 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ho",
"Cd",
"S"
],
"chemical_system": "Cd-Ho-S",
"density": 5.775697739660165,
"density_atomic": 0.04267501334584547,
"volume": 164.03041150264735,
"volume_molar": 14.111631814138077,
"formula_full": "Ho2 Cd1 S4",
"formula_reduced": "Ho2CdS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.1427015547619044,
"spacegroup": 119
},
{
"id": "jvasp-88107",
"created_at": "2022-09-04T14:36:04.514748Z",
"updated_at": "2022-09-04T14:36:04.514775Z",
"structure_string": "Si12 O24\n1.0\n6.859275 0.000000 0.000000\n-3.429638 5.940307 -0.000000\n-0.000000 0.000000 13.574429\nSi O\n12 24\ndirect\n0.176540 0.772460 0.048717 Si\n0.227540 0.823460 0.284617 Si\n0.404080 0.227540 0.951283 Si\n0.595919 0.772460 0.951283 Si\n0.823459 0.595920 0.617950 Si\n0.176540 0.404081 0.617950 Si\n0.823459 0.227540 0.048717 Si\n0.772459 0.176541 0.284617 Si\n0.227540 0.404081 0.382050 Si\n0.595919 0.823460 0.715383 Si\n0.772459 0.595920 0.382050 Si\n0.404080 0.176541 0.715383 Si\n0.817418 0.817419 0.666667 O\n0.605654 0.394345 0.666667 O\n0.182582 -0.000000 0.000000 O\n0.211310 0.605655 0.333333 O\n0.812857 0.187142 0.166667 O\n0.187142 0.812858 0.166667 O\n0.605654 0.211310 0.000000 O\n0.500000 0.500000 0.362711 O\n0.500000 -0.000000 0.303955 O\n-0.000000 0.500000 0.029378 O\n0.394345 0.605655 0.666667 O\n0.394345 0.788691 0.000000 O\n0.187142 0.374285 0.500000 O\n0.182582 0.182582 0.666667 O\n0.500000 -0.000000 0.696045 O\n0.500000 0.500000 0.970622 O\n0.625715 0.812858 0.833333 O\n0.788690 0.394345 0.333333 O\n-0.000000 0.817419 0.333333 O\n-0.000000 0.500000 0.637289 O\n-0.000000 0.182582 0.333333 O\n0.812857 0.625715 0.500000 O\n0.817418 -0.000000 0.000000 O\n0.374285 0.187142 0.833333 O\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.1646250201663677,
"density_atomic": 0.06508693569816686,
"volume": 553.1063893827455,
"volume_molar": 9.252457033661841,
"formula_full": "Si12 O24",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4826052,
"spacegroup": 181
},
{
"id": "jvasp-8810",
"created_at": "2022-09-04T14:36:39.325881Z",
"updated_at": "2022-09-04T14:36:39.325903Z",
"structure_string": "Ti2 O4\n1.0\n3.797994 -0.009707 -0.273924\n-0.009707 3.797994 -0.273924\n-1.547893 -1.547893 5.065309\nTi O\n2 4\ndirect\n0.374996 0.125004 0.250000 Ti\n0.625004 0.874996 0.750001 Ti\n0.582911 0.332842 0.665684 O\n0.417089 0.667158 0.334317 O\n0.167159 0.917089 0.834318 O\n0.832841 0.082910 0.165684 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ti",
"O"
],
"chemical_system": "O-Ti",
"density": 3.7980267360049624,
"density_atomic": 0.08591506610728025,
"volume": 69.83641253919228,
"volume_molar": 7.009411774740748,
"formula_full": "Ti2 O4",
"formula_reduced": "TiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4768251111111117,
"spacegroup": 141
},
{
"id": "jvasp-88093",
"created_at": "2022-09-04T14:35:59.484172Z",
"updated_at": "2022-09-04T14:35:59.484206Z",
"structure_string": "Ba3 Ca3 C6 O18\n1.0\n8.747254 0.000000 -0.000000\n-4.373627 7.575344 0.000000\n-0.000000 0.000000 6.115398\nBa Ca C O\n3 3 6 18\ndirect\n-0.000000 0.687587 0.000000 Ba\n0.687587 -0.000000 0.000000 Ba\n0.312413 0.312413 0.000000 Ba\n0.361171 -0.000000 0.500000 Ca\n0.638828 0.638828 0.500000 Ca\n-0.000000 0.361171 0.500000 Ca\n0.333332 0.666667 0.356608 C\n0.333332 0.666667 0.818229 C\n0.666667 0.333333 0.181771 C\n0.000000 0.000000 0.266671 C\n0.666667 0.333333 0.643392 C\n0.000000 0.000000 0.733329 C\n0.653992 0.475148 0.179216 O\n0.513600 0.323558 0.639228 O\n0.145647 0.995203 0.740008 O\n0.178845 0.524852 0.820784 O\n0.346007 0.821154 0.820784 O\n0.676442 0.190042 0.639228 O\n0.323557 0.513600 0.360772 O\n0.854351 0.849556 0.259992 O\n0.821154 0.346007 0.179216 O\n0.809957 0.486399 0.639228 O\n0.150443 0.004796 0.259992 O\n0.849556 0.854352 0.740008 O\n0.190042 0.676442 0.360772 O\n0.524852 0.178846 0.179216 O\n0.995203 0.145648 0.259992 O\n0.004796 0.150443 0.740008 O\n0.475147 0.653993 0.820784 O\n0.486399 0.809957 0.360772 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ba",
"Ca",
"C",
"O"
],
"chemical_system": "Ba-C-Ca-O",
"density": 3.6563333723193554,
"density_atomic": 0.07403250269045253,
"volume": 405.2274191707002,
"volume_molar": 8.134455193524929,
"formula_full": "Ba3 Ca3 C6 O18",
"formula_reduced": "BaCa(CO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.856676739,
"spacegroup": 150
},
{
"id": "jvasp-88092",
"created_at": "2022-09-04T14:35:55.319867Z",
"updated_at": "2022-09-04T14:35:55.319893Z",
"structure_string": "Zr1 Co1 F6\n1.0\n4.735178 0.144814 3.031985\n1.731656 4.409562 3.031984\n0.205624 0.144814 5.618946\nZr Co F\n1 1 6\ndirect\n0.500001 0.499999 0.500000 Zr\n0.000000 0.000000 0.000000 Co\n0.621382 0.248210 0.879149 F\n0.248213 0.879147 0.621381 F\n0.120852 0.378618 0.751789 F\n0.751789 0.120851 0.378619 F\n0.378620 0.751788 0.120851 F\n0.879149 0.621380 0.248211 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zr",
"Co",
"F"
],
"chemical_system": "Co-F-Zr",
"density": 3.9185113149907007,
"density_atomic": 0.0714686045169106,
"volume": 111.93726327910983,
"volume_molar": 8.426274446949733,
"formula_full": "Zr1 Co1 F6",
"formula_reduced": "ZrCoF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.5914671368750002,
"spacegroup": 148
},
{
"id": "jvasp-8809",
"created_at": "2022-09-04T14:37:05.345359Z",
"updated_at": "2022-09-04T14:37:05.345391Z",
"structure_string": "Na2 As2 Se4\n1.0\n8.616898 -0.001186 -0.001226\n8.618346 6.901167 0.175323\n4.310012 4.678578 3.535700\nNa As Se\n2 2 4\ndirect\n-0.012817 -0.000028 0.000011 Na\n0.762817 0.500028 -0.000013 Na\n0.205217 0.499966 0.000032 As\n0.544783 0.000035 -0.000034 As\n-0.028586 0.525960 0.450240 Se\n0.473554 0.474104 0.549701 Se\n0.276446 0.025897 0.450298 Se\n0.778586 0.974042 0.549758 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"As",
"Se"
],
"chemical_system": "As-Na-Se",
"density": 4.181065359450815,
"density_atomic": 0.039368063738136,
"volume": 203.2104005219431,
"volume_molar": 15.297020447988984,
"formula_full": "Na2 As2 Se4",
"formula_reduced": "NaAsSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9509843708333334,
"spacegroup": 15
},
{
"id": "jvasp-88089",
"created_at": "2022-09-04T14:35:52.988523Z",
"updated_at": "2022-09-04T14:35:52.988560Z",
"structure_string": "Pr6 U2 Cl6 O12\n1.0\n9.466923 -0.000000 -0.000000\n-4.733461 8.198596 -0.000000\n0.000000 -0.000000 5.598371\nPr U Cl O\n6 2 6 12\ndirect\n0.092002 0.688470 0.750000 Pr\n0.907998 0.311531 0.250000 Pr\n0.403532 0.092002 0.250000 Pr\n0.311531 0.403532 0.750000 Pr\n0.688469 0.596468 0.250000 Pr\n0.596468 0.907999 0.750000 Pr\n0.333333 0.666667 0.250000 U\n0.666667 0.333333 0.750000 U\n0.058450 0.811843 0.250000 Cl\n0.246607 0.058449 0.750000 Cl\n0.941550 0.188157 0.750000 Cl\n0.753393 0.941551 0.250000 Cl\n0.811843 0.753394 0.750000 Cl\n0.188157 0.246607 0.250000 Cl\n0.151428 0.515682 0.006000 O\n0.484318 0.635746 0.006000 O\n0.515682 0.364255 0.994000 O\n0.848572 0.484319 0.505999 O\n0.484318 0.635746 0.494000 O\n0.635745 0.151428 0.994000 O\n0.635745 0.151428 0.505999 O\n0.151428 0.515682 0.494000 O\n0.364255 0.848572 0.006000 O\n0.848572 0.484319 0.994000 O\n0.515682 0.364255 0.505999 O\n0.364255 0.848572 0.494000 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Pr",
"U",
"Cl",
"O"
],
"chemical_system": "Cl-O-Pr-U",
"density": 6.59680818416251,
"density_atomic": 0.05983610855633173,
"volume": 434.5202358125065,
"volume_molar": 10.064392396658874,
"formula_full": "Pr6 U2 Cl6 O12",
"formula_reduced": "Pr3U(ClO2)3",
"formula_anonymous": "AB3C3D6",
"energy_above_hull": 2.1871545194230766,
"spacegroup": 176
},
{
"id": "jvasp-88080",
"created_at": "2022-09-04T14:35:44.842419Z",
"updated_at": "2022-09-04T14:35:44.842451Z",
"structure_string": "Ba8 Br12 O2\n1.0\n10.412649 0.000000 0.000000\n-5.206325 9.017619 -0.000000\n0.000000 -0.000000 7.902812\nBa Br O\n8 12 2\ndirect\n0.198366 0.801634 -0.000917 Ba\n0.333333 0.666667 0.420931 Ba\n0.603268 0.801634 -0.000917 Ba\n0.801634 0.198366 0.499083 Ba\n0.396732 0.198366 0.499083 Ba\n0.801634 0.603268 0.499083 Ba\n0.666667 0.333333 0.920930 Ba\n0.198366 0.396732 -0.000917 Ba\n0.940378 0.470189 0.207818 Br\n0.470189 0.529811 0.707818 Br\n0.529811 0.059622 0.207818 Br\n0.141650 0.858349 0.394846 Br\n0.470189 0.940378 0.707818 Br\n0.059621 0.529811 0.707818 Br\n0.141650 0.283301 0.394846 Br\n0.858349 0.716699 0.894846 Br\n0.283301 0.141651 0.894846 Br\n0.529811 0.470189 0.207818 Br\n0.716699 0.858349 0.394846 Br\n0.858349 0.141651 0.894846 Br\n0.333333 0.666667 0.099395 O\n0.666667 0.333333 0.599395 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ba",
"Br",
"O"
],
"chemical_system": "Ba-Br-O",
"density": 4.675725201869476,
"density_atomic": 0.02964748916660778,
"volume": 742.0527207672881,
"volume_molar": 20.312481526370835,
"formula_full": "Ba8 Br12 O2",
"formula_reduced": "Ba4Br6O",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 186
}
]
}