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=-density&page=4461",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=4459",
"results": [
{
"id": "jvasp-41383",
"created_at": "2022-09-04T14:37:53.701710Z",
"updated_at": "2022-09-04T14:37:53.701743Z",
"structure_string": "Mg1 H8 Cl2 O12\n1.0\n2.256071 0.000000 -5.659391\n-5.552464 -3.910122 0.076741\n-5.552464 3.910122 0.076741\nMg H Cl O\n1 8 2 12\ndirect\n0.000000 0.000000 0.000000 Mg\n0.751232 0.247816 0.044580 H\n0.751232 0.044580 0.247816 H\n0.865408 0.617841 0.280744 H\n0.134591 0.719255 0.382158 H\n0.865408 0.280744 0.617841 H\n0.134591 0.382158 0.719255 H\n0.248768 0.955419 0.752184 H\n0.248768 0.752184 0.955419 H\n0.404697 0.301882 0.301882 Cl\n0.595304 0.698117 0.698117 Cl\n0.683265 0.506772 0.810315 O\n0.000001 0.257716 0.742284 O\n0.333694 0.641053 0.641053 O\n0.683265 0.810315 0.506772 O\n0.316734 0.189684 0.493228 O\n0.818237 0.121680 0.121680 O\n0.000001 0.742284 0.257716 O\n0.316734 0.493228 0.189684 O\n0.337258 0.159481 0.159481 O\n0.662743 0.840520 0.840520 O\n0.666307 0.358946 0.358946 O\n0.181762 0.878320 0.878320 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Mg",
"H",
"Cl",
"O"
],
"chemical_system": "Cl-H-Mg-O",
"density": 2.00626434743074,
"density_atomic": 0.09411341053319856,
"volume": 244.386000567759,
"volume_molar": 6.398812587793412,
"formula_full": "Mg1 H8 Cl2 O12",
"formula_reduced": "MgH8(ClO6)2",
"formula_anonymous": "AB2C8D12",
"energy_above_hull": 2.670892138478261,
"spacegroup": 12
},
{
"id": "jvasp-118657",
"created_at": "2022-09-04T14:38:28.127413Z",
"updated_at": "2022-09-04T14:38:28.127430Z",
"structure_string": "Na1 Al1 Si1\n1.0\n2.763454 -0.000000 -0.000000\n-0.000000 2.763454 0.000000\n0.000000 0.000000 8.460763\nNa Al Si\n1 1 1\ndirect\n0.000000 0.000000 0.661226 Na\n0.000000 0.000000 0.303940 Al\n0.000000 0.000000 0.002190 Si\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Na",
"Al",
"Si"
],
"chemical_system": "Al-Na-Si",
"density": 2.006069037516943,
"density_atomic": 0.04643091531856643,
"volume": 64.61212275090307,
"volume_molar": 12.970109933611223,
"formula_full": "Na1 Al1 Si1",
"formula_reduced": "NaAlSi",
"formula_anonymous": "ABC",
"energy_above_hull": 1.3478001333333332,
"spacegroup": 99
},
{
"id": "jvasp-120935",
"created_at": "2022-09-04T14:38:52.263384Z",
"updated_at": "2022-09-04T14:38:52.263410Z",
"structure_string": "Na2 C2 N2\n1.0\n3.410102 0.000000 0.000000\n0.000000 5.144190 0.000000\n0.000000 0.000000 4.625427\nNa C N\n2 2 2\ndirect\n0.000000 0.000000 0.284232 Na\n0.500000 0.500000 0.715768 Na\n0.000000 0.500000 0.115022 C\n0.500000 0.000000 0.884978 C\n0.500000 0.000000 0.629441 N\n0.000000 0.500000 0.370559 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Na",
"C",
"N"
],
"chemical_system": "C-N-Na",
"density": 2.005868736558846,
"density_atomic": 0.0739460617249623,
"volume": 81.14022383391587,
"volume_molar": 8.143964153762472,
"formula_full": "Na2 C2 N2",
"formula_reduced": "NaCN",
"formula_anonymous": "ABC",
"energy_above_hull": 3.0012774166666665,
"spacegroup": 59
},
{
"id": "jvasp-121300",
"created_at": "2022-09-04T14:38:54.716004Z",
"updated_at": "2022-09-04T14:38:54.716030Z",
"structure_string": "Au1 O1 F1\n1.0\n6.350127 -0.000000 0.000000\n-0.000000 6.350127 0.000000\n0.000000 0.000000 4.762595\nAu O F\n1 1 1\ndirect\n0.346752 -0.018604 0.000000 Au\n0.015658 0.252647 0.000000 O\n-0.088804 -0.064552 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Au",
"O",
"F"
],
"chemical_system": "Au-F-O",
"density": 2.0056812270535915,
"density_atomic": 0.015621142021024966,
"volume": 192.04741855379137,
"volume_molar": 38.55121957085225,
"formula_full": "Au1 O1 F1",
"formula_reduced": "AuOF",
"formula_anonymous": "ABC",
"energy_above_hull": null,
"spacegroup": 6
},
{
"id": "jvasp-32739",
"created_at": "2022-09-04T14:36:47.077679Z",
"updated_at": "2022-09-04T14:36:47.077710Z",
"structure_string": "Al2 P2 N2 Cl10\n1.0\n6.603655 -0.026753 1.600435\n2.147412 7.207062 3.709463\n-0.095316 0.038686 8.657904\nAl P N Cl\n2 2 2 10\ndirect\n0.906023 0.570499 0.624408 Al\n0.093975 0.429502 0.375592 Al\n0.284371 0.204009 0.741093 P\n0.715627 0.795992 0.258907 P\n0.127755 0.362875 0.609849 N\n0.872243 0.637125 0.390151 N\n0.585714 0.170735 0.645687 Cl\n0.741820 0.756171 0.043400 Cl\n0.987228 0.237576 0.341358 Cl\n0.753810 0.048787 0.177331 Cl\n0.012770 0.762425 0.658642 Cl\n0.246188 0.951214 0.822668 Cl\n0.258179 0.243829 0.956599 Cl\n0.414285 0.829266 0.354313 Cl\n0.355427 0.494633 0.198919 Cl\n0.644571 0.505368 0.801080 Cl\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Al",
"P",
"N",
"Cl"
],
"chemical_system": "Al-Cl-N-P",
"density": 2.004865716559449,
"density_atomic": 0.0387552986638692,
"volume": 412.84677325726517,
"volume_molar": 15.538883630419091,
"formula_full": "Al2 P2 N2 Cl10",
"formula_reduced": "AlPNCl5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 1.3729939859374998,
"spacegroup": 2
},
{
"id": "jvasp-80612",
"created_at": "2022-09-04T14:37:05.955218Z",
"updated_at": "2022-09-04T14:37:05.955239Z",
"structure_string": "K1 Na2 Cd1\n1.0\n-12.251457 0.000001 -7.073382\n-7.902063 0.135020 -0.459990\n-6.781489 3.304482 -2.400881\nK Na Cd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 K\n0.718792 0.000001 -0.000000 Na\n0.281207 0.000000 -0.000000 Na\n0.500000 0.000000 -0.000000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Na",
"Cd"
],
"chemical_system": "Cd-K-Na",
"density": 2.004828834921027,
"density_atomic": 0.024453759586226857,
"volume": 163.57402982946346,
"volume_molar": 24.62664580783669,
"formula_full": "K1 Na2 Cd1",
"formula_reduced": "KNa2Cd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 71
},
{
"id": "jvasp-101852",
"created_at": "2022-09-04T14:37:11.822240Z",
"updated_at": "2022-09-04T14:37:11.822257Z",
"structure_string": "H2 C4 S2 N2 O4\n1.0\n4.524255 -0.027013 0.764320\n0.826411 5.199302 1.236181\n-0.059212 -0.446434 7.149518\nH C S N O\n2 4 2 2 4\ndirect\n0.677218 0.623196 0.097895 H\n0.677916 0.121480 0.598831 H\n0.336135 0.892665 0.220322 C\n0.336319 0.390906 0.720865 C\n0.839559 0.300955 0.791048 C\n0.839595 0.802177 0.290123 C\n0.256033 0.183254 0.262278 S\n0.256284 0.682047 0.761456 S\n0.623108 0.754662 0.193428 N\n0.623408 0.252790 0.694474 N\n0.793053 0.375288 0.945058 O\n0.793392 0.875226 0.444580 O\n0.125882 0.750699 0.191786 O\n0.126149 0.248339 0.693271 O\n",
"nsites": 14,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 2.004821295593884,
"density_atomic": 0.08197220511126836,
"volume": 170.78959851081865,
"volume_molar": 7.346564304114545,
"formula_full": "H2 C4 S2 N2 O4",
"formula_reduced": "HC2SNO2",
"formula_anonymous": "ABCD2E2",
"energy_above_hull": 4.268328607142857,
"spacegroup": 1
},
{
"id": "jvasp-29646",
"created_at": "2022-09-04T14:38:31.016876Z",
"updated_at": "2022-09-04T14:38:31.016897Z",
"structure_string": "Mg1 Cl2\n1.0\n3.885246 0.000000 0.000000\n0.000000 3.885246 0.000000\n-0.000000 0.000000 5.224556\nMg Cl\n1 2\ndirect\n0.500001 0.500001 0.000000 Mg\n0.000000 0.500001 0.256456 Cl\n0.500001 0.000000 0.743544 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"Cl"
],
"chemical_system": "Cl-Mg",
"density": 2.004701851462008,
"density_atomic": 0.03803950195515912,
"volume": 78.86538587009875,
"volume_molar": 15.83128182671499,
"formula_full": "Mg1 Cl2",
"formula_reduced": "MgCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0360199999999999,
"spacegroup": 115
},
{
"id": "jvasp-56337",
"created_at": "2022-09-04T14:37:32.711930Z",
"updated_at": "2022-09-04T14:37:32.711959Z",
"structure_string": "K8 P12\n1.0\n7.538205 0.000000 3.356825\n3.769101 7.321844 1.678412\n-0.048736 0.000000 10.251882\nK P\n8 12\ndirect\n0.249115 0.250000 0.501768 K\n0.500883 0.250000 0.998231 K\n0.990168 0.750000 0.019662 K\n0.259831 0.750000 0.480338 K\n0.740168 0.250000 0.519662 K\n0.499116 0.750000 0.001768 K\n0.750884 0.750000 0.498231 K\n0.009831 0.250000 0.980338 K\n0.572519 0.399216 0.246008 P\n0.971735 0.600783 0.746008 P\n0.726301 0.547396 0.250000 P\n0.717742 0.100784 0.253992 P\n0.282257 0.899216 0.746008 P\n0.023699 0.952603 0.250000 P\n0.181474 0.100784 0.246008 P\n0.273698 0.452603 0.750000 P\n0.818525 0.899216 0.753992 P\n0.427480 0.600783 0.753992 P\n0.976300 0.047396 0.750000 P\n0.028264 0.399216 0.253992 P\n",
"nsites": 20,
"nelements": 2,
"elements": [
"K",
"P"
],
"chemical_system": "K-P",
"density": 2.004444706552129,
"density_atomic": 0.03527114685330238,
"volume": 567.0357157135487,
"volume_molar": 17.07384447987167,
"formula_full": "K8 P12",
"formula_reduced": "K2P3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.4228778999999998,
"spacegroup": 70
},
{
"id": "jvasp-98320",
"created_at": "2022-09-04T14:35:45.483574Z",
"updated_at": "2022-09-04T14:35:45.483590Z",
"structure_string": "Li4 H20 S4 N8 O16\n1.0\n9.974600 0.000000 0.000000\n0.000000 8.871640 0.000000\n0.000000 0.000000 5.096617\nLi H S N O\n4 20 4 8 16\ndirect\n0.671125 0.563760 0.752038 Li\n0.328875 0.436240 0.252038 Li\n0.828875 0.063760 0.252038 Li\n0.171125 0.936240 0.752038 Li\n0.969230 0.209254 0.590528 H\n0.030770 0.790746 0.090528 H\n0.530770 0.709254 0.090528 H\n0.469230 0.290746 0.590528 H\n0.951834 0.233340 0.920375 H\n0.048166 0.766660 0.420374 H\n0.548166 0.733340 0.420374 H\n0.451834 0.266660 0.920375 H\n0.842091 0.313209 0.704435 H\n0.157909 0.686791 0.204435 H\n0.342091 0.186791 0.704435 H\n0.010874 0.468924 0.551616 H\n0.989126 0.531076 0.051615 H\n0.489126 0.968924 0.051615 H\n0.510874 0.031076 0.551616 H\n0.378939 0.885346 0.249974 H\n0.621061 0.114654 0.749975 H\n0.121061 0.385346 0.749975 H\n0.878939 0.614654 0.249974 H\n0.657909 0.813209 0.204435 H\n0.157045 0.131837 0.252967 S\n0.842955 0.868163 0.752967 S\n0.342955 0.631837 0.752967 S\n0.657045 0.368163 0.252967 S\n0.523152 0.080204 0.735594 N\n0.476848 0.919796 0.235593 N\n0.976848 0.580204 0.235593 N\n0.023152 0.419796 0.735594 N\n0.441667 0.215887 0.737232 N\n0.558333 0.784113 0.237232 N\n0.058333 0.715887 0.237232 N\n0.941667 0.284113 0.737232 N\n0.302578 0.493437 0.609800 O\n0.697422 0.506563 0.109800 O\n0.225087 0.265646 0.143611 O\n0.774913 0.734354 0.643612 O\n0.274913 0.765646 0.643612 O\n0.725087 0.234354 0.143611 O\n0.007788 0.152871 0.229885 O\n0.189366 0.114624 0.538550 O\n0.492212 0.652871 0.729885 O\n0.507788 0.347129 0.229885 O\n0.802578 0.006563 0.609800 O\n0.810634 0.885376 0.038549 O\n0.310634 0.614624 0.038549 O\n0.689367 0.385376 0.538550 O\n0.992212 0.847129 0.729885 O\n0.197422 0.993437 0.109800 O\n",
"nsites": 52,
"nelements": 5,
"elements": [
"Li",
"H",
"S",
"N",
"O"
],
"chemical_system": "H-Li-N-O-S",
"density": 2.0037688658352475,
"density_atomic": 0.11529804569827252,
"volume": 451.0050424972563,
"volume_molar": 5.223107402669729,
"formula_full": "Li4 H20 S4 N8 O16",
"formula_reduced": "LiH5S(NO2)2",
"formula_anonymous": "ABC2D4E5",
"energy_above_hull": 3.271314653846154,
"spacegroup": 33
},
{
"id": "jvasp-25313",
"created_at": "2022-09-04T14:37:49.877966Z",
"updated_at": "2022-09-04T14:37:49.877998Z",
"structure_string": "C60\n1.0\n8.096775 -0.002840 5.432760\n2.895645 7.561284 5.432760\n-0.004131 -0.002840 9.750520\nC\n60\ndirect\n0.874075 0.026906 0.715831 C\n0.916940 0.471918 0.645318 C\n0.528082 0.354682 0.083060 C\n0.054609 0.208886 0.543877 C\n0.428190 0.750380 0.750380 C\n0.750381 0.750380 0.428189 C\n0.456123 0.791113 0.945392 C\n0.874075 0.715831 0.026906 C\n0.263618 0.693714 0.263618 C\n0.054609 0.543877 0.208887 C\n0.945392 0.791113 0.456123 C\n0.354683 0.528082 0.083060 C\n0.263618 0.263618 0.693714 C\n0.026907 0.874075 0.715831 C\n0.471918 0.645317 0.916940 C\n0.083060 0.354682 0.528082 C\n0.888439 0.196256 0.630348 C\n0.284170 0.973094 0.125925 C\n0.208887 0.543877 0.054608 C\n0.111561 0.803743 0.369652 C\n0.630348 0.888439 0.196256 C\n0.369652 0.111560 0.803744 C\n0.125925 0.284169 0.973094 C\n0.803744 0.369652 0.111561 C\n0.791113 0.456123 0.945392 C\n0.715831 0.874075 0.026906 C\n0.543877 0.208886 0.054609 C\n0.803743 0.111560 0.369652 C\n0.750380 0.428189 0.750380 C\n0.693714 0.263618 0.263618 C\n0.196257 0.630348 0.888440 C\n0.249620 0.249620 0.571811 C\n0.026907 0.715831 0.874075 C\n0.471919 0.916940 0.645318 C\n0.715831 0.026906 0.874076 C\n0.528082 0.083060 0.354682 C\n0.249620 0.571810 0.249620 C\n0.916940 0.645317 0.471918 C\n0.888440 0.630348 0.196256 C\n0.571811 0.249620 0.249620 C\n0.196257 0.888439 0.630348 C\n0.791114 0.945391 0.456123 C\n0.736383 0.736382 0.306286 C\n0.306286 0.736382 0.736382 C\n0.645318 0.471918 0.916940 C\n0.083060 0.528082 0.354682 C\n0.973094 0.284169 0.125925 C\n0.543877 0.054608 0.208887 C\n0.208887 0.054608 0.543877 C\n0.973094 0.125925 0.284169 C\n0.354682 0.083060 0.528082 C\n0.945391 0.456123 0.791114 C\n0.456123 0.945391 0.791113 C\n0.736382 0.306286 0.736383 C\n0.645318 0.916940 0.471918 C\n0.125925 0.973094 0.284169 C\n0.630348 0.196256 0.888440 C\n0.284169 0.125925 0.973094 C\n0.111561 0.369652 0.803744 C\n0.369652 0.803743 0.111560 C\n",
"nsites": 60,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 2.0035173650922835,
"density_atomic": 0.10045595670410223,
"volume": 597.2766769494101,
"volume_molar": 5.9948070354239915,
"formula_full": "C60",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy_above_hull": 0.4254100000000003,
"spacegroup": 166
},
{
"id": "jvasp-104010",
"created_at": "2022-09-04T14:36:55.634023Z",
"updated_at": "2022-09-04T14:36:55.634053Z",
"structure_string": "Sn2 H24 C12 F4\n1.0\n4.639074 -0.126526 0.019742\n0.765175 6.263458 1.044732\n-0.352551 0.086430 13.710184\nSn H C F\n2 24 12 4\ndirect\n0.260777 0.258116 0.470932 Sn\n0.778902 0.332947 0.976214 Sn\n0.627616 0.372666 0.160161 H\n0.534086 0.613586 0.075866 H\n0.068814 0.680105 0.072760 H\n0.142198 0.459487 0.169428 H\n0.957860 0.169595 0.690500 H\n0.424116 0.333896 0.643024 H\n0.584319 0.079504 0.627605 H\n0.315999 0.749158 0.678535 H\n-0.004561 0.853337 0.609698 H\n0.044310 0.737608 0.837398 H\n0.723750 0.841757 0.768554 H\n0.249362 0.063352 0.773315 H\n0.820502 0.641991 0.279634 H\n0.711709 0.848656 0.178696 H\n0.970969 0.911067 0.374278 H\n0.897659 0.131720 0.277625 H\n0.505715 0.977602 0.371228 H\n0.081921 0.421312 0.756632 H\n0.412183 0.218588 0.286980 H\n0.790429 0.527508 0.673805 H\n0.615732 0.256991 0.804139 H\n0.455422 0.511402 0.819487 H\n0.328195 0.742573 0.268357 H\n0.219411 0.949248 0.167422 H\n0.109663 0.848051 0.681860 C\n0.974814 0.586184 0.136621 C\n0.377865 0.178218 0.626181 C\n0.165878 0.071630 0.696331 C\n0.710514 0.489418 0.102338 C\n0.930093 0.742869 0.765237 C\n0.873897 0.519272 0.750788 C\n0.065027 0.005015 0.310438 C\n0.145727 0.856625 0.236103 C\n0.661908 0.412712 0.820948 C\n0.329273 0.101770 0.344771 C\n0.894176 0.734602 0.210948 C\n0.229720 0.324510 0.974751 F\n0.253515 0.571880 0.444656 F\n0.809973 0.266598 0.472445 F\n0.786138 0.019187 0.002429 F\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"F"
],
"chemical_system": "C-F-H-Sn",
"density": 2.0029845394374206,
"density_atomic": 0.105165133502906,
"volume": 399.37190778956625,
"volume_molar": 5.72636629594883,
"formula_full": "Sn2 H24 C12 F4",
"formula_reduced": "SnH12(C3F)2",
"formula_anonymous": "AB2C6D12",
"energy_above_hull": 4.037359631666667,
"spacegroup": 2
}
]
}