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=nsites&page=4632",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=4630",
"results": [
{
"id": "jvasp-98324",
"created_at": "2022-09-04T14:35:49.598147Z",
"updated_at": "2022-09-04T14:35:49.598173Z",
"structure_string": "P4 H32 N8 O14\n1.0\n5.677690 3.255584 -1.497860\n-5.677690 3.255584 1.497860\n0.000789 0.000000 13.618768\nP H N O\n4 32 8 14\ndirect\n0.264262 0.448927 0.651274 P\n0.448927 0.264262 0.848727 P\n0.735737 0.551072 0.348727 P\n0.551072 0.735737 0.151274 P\n0.036921 0.356450 0.358459 H\n0.356450 0.036921 0.141541 H\n0.006043 0.927603 0.618824 H\n0.927603 0.006042 0.881177 H\n0.993956 0.072396 0.381177 H\n0.072396 0.993956 0.118823 H\n0.131848 0.250659 0.474789 H\n0.643549 0.963078 0.858459 H\n0.250659 0.131848 0.025211 H\n0.727292 0.691495 0.623811 H\n0.691495 0.727292 0.876190 H\n0.272707 0.308504 0.376189 H\n0.308504 0.272706 0.123811 H\n0.749340 0.868150 0.974790 H\n0.963078 0.643549 0.641541 H\n0.868151 0.749340 0.525211 H\n0.421514 0.778163 0.449934 H\n0.536076 0.956436 0.612914 H\n0.956437 0.536076 0.887086 H\n0.463923 0.043562 0.387086 H\n0.043562 0.463923 0.112914 H\n0.504893 0.131412 0.673084 H\n0.131412 0.504893 0.826916 H\n0.778163 0.421514 0.050066 H\n0.495106 0.868587 0.326916 H\n0.868587 0.495106 0.173084 H\n0.778713 0.221746 0.650143 H\n0.221746 0.778712 0.849857 H\n0.221286 0.778253 0.349857 H\n0.778253 0.221286 0.150143 H\n0.578485 0.221836 0.550067 H\n0.221836 0.578484 0.949934 H\n0.107976 0.249012 0.395625 N\n0.750987 0.892023 0.895625 N\n0.249012 0.107976 0.104375 N\n0.892023 0.750987 0.604375 N\n0.401187 0.866881 0.378542 N\n0.133118 0.598812 0.878542 N\n0.598812 0.133117 0.621458 N\n0.866881 0.401187 0.121458 N\n0.446995 0.067453 0.808383 O\n0.067453 0.446995 0.691617 O\n0.323881 0.587635 0.083337 O\n0.587635 0.323880 0.416663 O\n0.676118 0.412363 0.916664 O\n0.412364 0.676118 0.583337 O\n0.774234 0.821963 0.104484 O\n0.225765 0.178036 0.895516 O\n0.178036 0.225765 0.604484 O\n0.537403 0.537403 0.250000 O\n0.462596 0.462596 0.750000 O\n0.932546 0.553003 0.308383 O\n0.821963 0.774234 0.395516 O\n0.553003 0.932546 0.191617 O\n",
"nsites": 58,
"nelements": 4,
"elements": [
"P",
"H",
"N",
"O"
],
"chemical_system": "H-N-O-P",
"density": 1.6233443925237578,
"density_atomic": 0.11520012667690924,
"volume": 503.47166859171125,
"volume_molar": 5.227546994709235,
"formula_full": "P4 H32 N8 O14",
"formula_reduced": "P2H16N4O7",
"formula_anonymous": "A2B4C7D16",
"energy_above_hull": 3.714150293103448,
"spacegroup": 15
},
{
"id": "jvasp-97474",
"created_at": "2022-09-04T14:36:04.598959Z",
"updated_at": "2022-09-04T14:36:04.598980Z",
"structure_string": "H24 W6 C8 N2 Cl18\n1.0\n10.667366 0.000000 0.000000\n-5.333683 9.238209 -0.000000\n0.000000 -0.000000 8.416756\nH W C N Cl\n24 6 8 2 18\ndirect\n0.875120 0.353414 0.692245 H\n0.478295 0.124880 0.692245 H\n0.277348 0.554696 0.071600 H\n0.521706 0.646586 0.307755 H\n0.646586 0.124880 0.692245 H\n0.819144 0.409572 0.518120 H\n0.353414 0.478294 0.307755 H\n0.590428 0.180856 0.518120 H\n0.445305 0.722652 0.071600 H\n0.124881 0.646586 0.307755 H\n0.277348 0.722652 0.071600 H\n0.180856 0.590428 0.481880 H\n0.478295 0.353414 0.692245 H\n0.124881 0.478294 0.307755 H\n0.554696 0.277348 0.928400 H\n0.521706 0.875120 0.307755 H\n0.353414 0.875120 0.307755 H\n0.590428 0.409572 0.518120 H\n0.722653 0.445305 0.928400 H\n0.409572 0.590428 0.481880 H\n0.646586 0.521706 0.692245 H\n0.409572 0.819144 0.481880 H\n0.722653 0.277348 0.928400 H\n0.875120 0.521706 0.692245 H\n0.813917 0.906958 0.871600 W\n0.093042 0.186083 0.871600 W\n0.093042 0.906958 0.871600 W\n0.906959 0.813917 0.128400 W\n0.186083 0.093042 0.128400 W\n0.906959 0.093042 0.128400 W\n0.666667 0.333333 0.886671 C\n0.589575 0.179150 0.648008 C\n0.179150 0.589575 0.351992 C\n0.589575 0.410425 0.648008 C\n0.333333 0.666667 0.113330 C\n0.410425 0.589575 0.351992 C\n0.410425 0.820850 0.351992 C\n0.820850 0.410425 0.648008 C\n0.666667 0.333333 0.707625 N\n0.333333 0.666667 0.292376 N\n0.896787 0.793573 0.679356 Cl\n0.103214 0.206427 0.320645 Cl\n0.206427 0.103214 0.679356 Cl\n0.326366 0.000000 0.000000 Cl\n0.673634 0.673634 0.000000 Cl\n0.000000 0.326366 0.000000 Cl\n0.103214 0.896787 0.320645 Cl\n0.201055 0.798945 0.698735 Cl\n0.201055 0.402110 0.698735 Cl\n0.798945 0.201055 0.301265 Cl\n0.798946 0.597890 0.301265 Cl\n0.793574 0.896787 0.320645 Cl\n0.000000 0.673634 0.000000 Cl\n0.673634 0.000000 0.000000 Cl\n0.597891 0.798945 0.698735 Cl\n0.326366 0.326366 0.000000 Cl\n0.402110 0.201055 0.301265 Cl\n0.896787 0.103214 0.679356 Cl\n",
"nsites": 58,
"nelements": 5,
"elements": [
"H",
"W",
"C",
"N",
"Cl"
],
"chemical_system": "C-Cl-H-N-W",
"density": 3.782705217111108,
"density_atomic": 0.06992593416247032,
"volume": 829.4490548419295,
"volume_molar": 8.612170623288034,
"formula_full": "H24 W6 C8 N2 Cl18",
"formula_reduced": "H12W3C4NCl9",
"formula_anonymous": "AB3C4D9E12",
"energy_above_hull": 3.740165857155173,
"spacegroup": 164
},
{
"id": "jvasp-21116",
"created_at": "2022-09-04T14:38:34.730883Z",
"updated_at": "2022-09-04T14:38:34.730898Z",
"structure_string": "Be6 Al4 Si12 O36\n1.0\n4.651785 -8.057128 -0.000000\n4.651785 8.057128 0.000000\n0.000000 -0.000000 9.279567\nBe Al Si O\n6 4 12 36\ndirect\n0.500000 0.000000 0.750000 Be\n0.500001 0.500001 0.250000 Be\n0.000000 0.500000 0.250000 Be\n0.500000 0.000000 0.250000 Be\n0.500001 0.500001 0.750000 Be\n0.000000 0.500000 0.750000 Be\n0.333333 0.666668 0.750000 Al\n0.666668 0.333333 0.750000 Al\n0.666668 0.333333 0.250000 Al\n0.333333 0.666668 0.250000 Al\n0.115796 0.727826 0.500000 Si\n0.612031 0.884206 0.500000 Si\n0.727826 0.612031 0.500000 Si\n0.272175 0.884205 0.000000 Si\n0.884206 0.612031 0.000000 Si\n0.272175 0.387970 0.500000 Si\n0.612031 0.727826 0.000000 Si\n0.115796 0.387970 0.000000 Si\n0.387970 0.115796 0.500000 Si\n0.884205 0.272175 0.500000 Si\n0.727826 0.115796 0.000000 Si\n0.387970 0.272175 0.000000 Si\n0.500785 0.646013 0.854389 O\n0.145228 0.499216 0.854389 O\n0.499216 0.145228 0.645612 O\n0.854773 0.353988 0.645612 O\n0.646013 0.145228 0.854389 O\n0.646013 0.500785 0.645612 O\n0.353988 0.499216 0.645612 O\n0.646013 0.145228 0.145612 O\n0.145228 0.646013 0.645612 O\n0.145228 0.499216 0.145612 O\n0.500785 0.646013 0.145612 O\n0.499216 0.353988 0.145612 O\n0.854773 0.500785 0.145612 O\n0.500785 0.854773 0.354389 O\n0.499216 0.353988 0.854389 O\n0.500785 0.854773 0.645612 O\n0.854773 0.500785 0.854389 O\n0.310604 0.236827 0.500000 O\n0.353988 0.499216 0.354389 O\n0.236828 0.926225 0.500000 O\n0.926225 0.689397 0.500000 O\n0.073776 0.310604 0.500000 O\n0.689397 0.763174 0.500000 O\n0.926225 0.236828 0.000000 O\n0.763173 0.073776 0.500000 O\n0.145228 0.646013 0.354389 O\n0.236827 0.310604 0.000000 O\n0.689397 0.926225 0.000000 O\n0.310604 0.073776 0.000000 O\n0.763174 0.689397 0.000000 O\n0.073776 0.763173 0.000000 O\n0.854773 0.353988 0.354389 O\n0.499216 0.145228 0.354389 O\n0.646013 0.500785 0.354389 O\n0.353988 0.854773 0.854389 O\n0.353988 0.854773 0.145612 O\n",
"nsites": 58,
"nelements": 4,
"elements": [
"Be",
"Al",
"Si",
"O"
],
"chemical_system": "Al-Be-O-Si",
"density": 2.5662645830223463,
"density_atomic": 0.0833816315880016,
"volume": 695.5968466362566,
"volume_molar": 7.222382970095983,
"formula_full": "Be6 Al4 Si12 O36",
"formula_reduced": "Be3Al2(SiO3)6",
"formula_anonymous": "A2B3C6D18",
"energy_above_hull": 3.045590637931034,
"spacegroup": 192
},
{
"id": "jvasp-98787",
"created_at": "2022-09-04T14:35:59.903514Z",
"updated_at": "2022-09-04T14:35:59.903540Z",
"structure_string": "Nd16 Ga8 O36\n1.0\n7.358983 0.000000 -2.546032\n0.000000 11.058068 0.000000\n0.031028 0.000000 11.606320\nNd Ga O\n16 8 36\ndirect\n0.522281 0.393363 0.283505 Nd\n0.834210 0.119079 0.410413 Nd\n0.834211 0.380921 0.910413 Nd\n0.023734 0.090709 0.807363 Nd\n0.477719 0.893363 0.216495 Nd\n0.336121 0.376000 0.932197 Nd\n0.477719 0.606637 0.716495 Nd\n0.165789 0.619079 0.089587 Nd\n0.165789 0.880922 0.589587 Nd\n0.976265 0.590709 0.692637 Nd\n0.336121 0.124000 0.432197 Nd\n0.023734 0.409291 0.307363 Nd\n0.976265 0.909291 0.192637 Nd\n0.663879 0.876000 0.567803 Nd\n0.522281 0.106637 0.783505 Nd\n0.663879 0.624000 0.067803 Nd\n0.785789 0.685216 0.373803 Ga\n0.785789 0.814784 0.873803 Ga\n0.214211 0.314784 0.626197 Ga\n0.656064 0.182557 0.113682 Ga\n0.343936 0.817444 0.886318 Ga\n0.343936 0.682557 0.386318 Ga\n0.214211 0.185216 0.126197 Ga\n0.656064 0.317444 0.613682 Ga\n0.783972 0.976798 0.839450 O\n0.363266 0.768310 0.041117 O\n0.567906 0.751722 0.886484 O\n0.078116 0.993442 0.394432 O\n0.363266 0.731690 0.541117 O\n0.565405 0.009005 0.395387 O\n0.072252 0.263659 0.474859 O\n0.072252 0.236341 0.974859 O\n0.785786 0.273148 0.248934 O\n0.233582 0.229278 0.768925 O\n0.216028 0.023202 0.160550 O\n0.785786 0.226852 0.748934 O\n0.296916 0.526940 0.324532 O\n0.921884 0.493442 0.105568 O\n0.432094 0.251721 0.613516 O\n0.296916 0.973060 0.824532 O\n0.927748 0.763659 0.025141 O\n0.703084 0.026940 0.175468 O\n0.927748 0.736341 0.525141 O\n0.567906 0.748279 0.386484 O\n0.636734 0.231690 0.958883 O\n0.214214 0.773148 0.251066 O\n0.921884 0.006558 0.605568 O\n0.434595 0.509005 0.104613 O\n0.432094 0.248279 0.113516 O\n0.766418 0.770722 0.231075 O\n0.783972 0.523202 0.339450 O\n0.703084 0.473060 0.675468 O\n0.078116 0.506558 0.894432 O\n0.214214 0.726852 0.751066 O\n0.233582 0.270722 0.268925 O\n0.636734 0.268310 0.458883 O\n0.766418 0.729278 0.731075 O\n0.434595 0.990996 0.604613 O\n0.216028 0.476798 0.660550 O\n0.565405 0.490996 0.895387 O\n",
"nsites": 60,
"nelements": 3,
"elements": [
"Nd",
"Ga",
"O"
],
"chemical_system": "Ga-Nd-O",
"density": 6.045340010079418,
"density_atomic": 0.06346848781266105,
"volume": 945.3510248597867,
"volume_molar": 9.488394898859823,
"formula_full": "Nd16 Ga8 O36",
"formula_reduced": "Nd4Ga2O9",
"formula_anonymous": "A2B4C9",
"energy_above_hull": 2.058772143333333,
"spacegroup": 14
},
{
"id": "jvasp-104022",
"created_at": "2022-09-04T14:36:30.492885Z",
"updated_at": "2022-09-04T14:36:30.492911Z",
"structure_string": "H28 C32\n1.0\n7.802328 0.000000 -2.509177\n0.000000 7.919371 0.000000\n-0.007794 0.000000 8.574330\nH C\n28 32\ndirect\n0.535075 0.709925 0.011686 H\n0.083516 0.281634 0.310148 H\n0.916485 0.781634 0.689852 H\n0.196634 0.292676 0.522378 H\n0.803367 0.792676 0.477622 H\n0.183373 0.098875 0.412215 H\n0.816628 0.598875 0.587785 H\n0.832292 0.472500 0.352881 H\n0.368942 0.070212 0.673869 H\n0.631059 0.570212 0.326130 H\n0.335846 0.946120 0.831911 H\n0.664155 0.446120 0.168089 H\n0.838686 0.095658 0.208366 H\n0.161315 0.595658 0.791634 H\n0.167709 0.972500 0.647119 H\n0.456534 0.556811 0.779336 H\n0.543466 0.056811 0.220664 H\n0.464926 0.209925 0.988314 H\n0.623043 0.914963 0.831970 H\n0.376958 0.414963 0.168030 H\n0.067201 0.481938 0.109384 H\n0.226005 0.935713 0.044307 H\n0.932800 0.981938 0.890616 H\n0.773995 0.435713 0.955693 H\n0.446418 0.795863 0.273271 H\n0.553583 0.295863 0.726729 H\n0.528184 0.655267 0.532572 H\n0.471817 0.155268 0.467428 H\n0.811985 0.117302 0.323712 C\n0.356109 0.600167 0.671447 C\n0.643891 0.100167 0.328552 C\n0.188015 0.617302 0.676288 C\n0.604584 0.151642 0.466811 C\n0.054078 0.670700 0.540895 C\n0.273891 0.037650 0.735505 C\n0.088068 0.702790 0.389811 C\n0.911933 0.202790 0.610188 C\n0.958239 0.744946 0.234721 C\n0.041761 0.244946 0.765279 C\n0.726110 0.537650 0.264495 C\n0.395417 0.651642 0.533189 C\n0.945923 0.170700 0.459105 C\n0.735220 0.208757 0.605927 C\n0.215145 0.187484 0.813300 C\n0.689179 0.288092 0.736763 C\n0.310822 0.788092 0.263237 C\n0.809818 0.363393 0.863089 C\n0.190183 0.863393 0.136910 C\n0.988679 0.341572 0.883049 C\n0.011321 0.841572 0.116951 C\n0.111053 0.404746 0.024947 C\n0.888948 0.904746 0.975053 C\n0.283027 0.366572 0.057800 C\n0.716974 0.866572 0.942200 C\n0.332349 0.254072 0.954508 C\n0.667651 0.754072 0.045492 C\n0.887345 0.712799 0.573283 C\n0.784856 0.687484 0.186700 C\n0.264781 0.708757 0.394073 C\n0.112655 0.212799 0.426717 C\n",
"nsites": 60,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.2934602059924143,
"density_atomic": 0.1132825816609345,
"volume": 529.6489462041542,
"volume_molar": 5.31603417904514,
"formula_full": "H28 C32",
"formula_reduced": "H7C8",
"formula_anonymous": "A7B8",
"energy_above_hull": 5.487643333333334,
"spacegroup": 4
},
{
"id": "jvasp-103761",
"created_at": "2022-09-04T14:36:57.938653Z",
"updated_at": "2022-09-04T14:36:57.938680Z",
"structure_string": "H32 C20 O8\n1.0\n12.806539 0.000000 -1.137216\n0.000000 6.820761 0.000000\n0.103665 0.000000 5.317243\nH C O\n32 20 8\ndirect\n0.061106 0.912973 0.233362 H\n0.548723 0.294773 0.994386 H\n0.451277 0.705227 0.005613 H\n0.548723 0.205227 0.494387 H\n0.590403 0.484613 0.204032 H\n0.409598 0.515387 0.795966 H\n0.409598 0.984613 0.295967 H\n0.590403 0.015387 0.704032 H\n0.593767 0.502128 0.627176 H\n0.406233 0.497871 0.372823 H\n0.406233 0.002129 0.872822 H\n0.593767 0.997871 0.127176 H\n0.631191 0.696198 0.834382 H\n0.368810 0.303802 0.165616 H\n0.368810 0.196198 0.665616 H\n0.631190 0.803802 0.334383 H\n0.451277 0.794773 0.505612 H\n0.265301 0.710204 0.157934 H\n0.734700 0.289796 0.842065 H\n0.938895 0.087027 0.766636 H\n0.938895 0.412973 0.266637 H\n0.061106 0.587027 0.733362 H\n0.966970 0.784041 0.029654 H\n0.033031 0.215959 0.970345 H\n0.033031 0.284041 0.470345 H\n0.769391 0.015218 0.551135 H\n0.230610 0.984782 0.448863 H\n0.230610 0.515218 0.948863 H\n0.769391 0.484782 0.051136 H\n0.734699 0.210204 0.342066 H\n0.265301 0.789795 0.657933 H\n0.966970 0.715959 0.529653 H\n0.373683 0.035684 0.680682 C\n0.626318 0.964316 0.319317 C\n0.373683 0.464316 0.180682 C\n0.554664 0.455543 0.012975 C\n0.554664 0.044457 0.512974 C\n0.445336 0.955542 0.487025 C\n0.445336 0.544457 0.987024 C\n0.736340 0.451283 0.859872 C\n0.626318 0.535684 0.819317 C\n0.263660 0.548716 0.140127 C\n0.189691 0.473616 0.325199 C\n0.736340 0.048716 0.359872 C\n0.810309 0.526384 0.674800 C\n0.189692 0.026384 0.825198 C\n0.810309 0.973615 0.174801 C\n0.991290 0.572615 0.605163 C\n0.008711 0.427385 0.394836 C\n0.008711 0.072615 0.894836 C\n0.991289 0.927385 0.105163 C\n0.263660 0.951283 0.640127 C\n0.213830 0.099241 0.031268 O\n0.786170 0.900759 0.968731 O\n0.911496 0.498976 0.763378 O\n0.213830 0.400759 0.531268 O\n0.088504 0.998976 0.736620 O\n0.911496 0.001024 0.263378 O\n0.088504 0.501024 0.236621 O\n0.786170 0.599241 0.468731 O\n",
"nsites": 60,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.4292541562181569,
"density_atomic": 0.1289581863316191,
"volume": 465.26708933164235,
"volume_molar": 4.669839838251074,
"formula_full": "H32 C20 O8",
"formula_reduced": "H8C5O2",
"formula_anonymous": "A2B5C8",
"energy_above_hull": 4.578360466666666,
"spacegroup": 14
},
{
"id": "jvasp-101982",
"created_at": "2022-09-04T14:37:05.482751Z",
"updated_at": "2022-09-04T14:37:05.482772Z",
"structure_string": "H40 C20\n1.0\n8.553841 0.000000 -3.731294\n0.000000 5.200534 0.000000\n-0.028544 0.000000 9.817612\nH C\n40 20\ndirect\n0.480242 0.120644 0.176019 H\n0.919910 0.698751 0.308897 H\n0.080090 0.301249 0.691104 H\n0.031357 0.774126 0.067384 H\n0.968643 0.225874 0.932616 H\n0.968643 0.274126 0.432616 H\n0.031358 0.725873 0.567384 H\n0.199850 0.644290 0.210828 H\n0.800150 0.144290 0.289172 H\n0.199850 0.855709 0.710828 H\n0.185930 0.965683 0.949509 H\n0.814071 0.034317 0.050492 H\n0.814071 0.465683 0.550492 H\n0.185929 0.534316 0.449509 H\n0.332491 0.747971 0.058226 H\n0.667510 0.252029 0.941774 H\n0.667509 0.247971 0.441774 H\n0.332491 0.752028 0.558226 H\n0.919911 0.801248 0.808897 H\n0.080090 0.198751 0.191104 H\n0.800151 0.355709 0.789172 H\n0.870756 0.484077 0.155865 H\n0.129244 0.515922 0.844135 H\n0.519758 0.879355 0.823981 H\n0.519758 0.620644 0.323981 H\n0.480243 0.379355 0.676019 H\n0.311899 0.317293 0.097457 H\n0.688102 0.682707 0.902543 H\n0.311899 0.182707 0.597457 H\n0.353272 0.321957 0.358797 H\n0.646728 0.678042 0.641203 H\n0.688102 0.817292 0.402543 H\n0.870757 0.015922 0.655865 H\n0.353272 0.178043 0.858797 H\n0.409234 0.992998 0.381332 H\n0.590766 0.007001 0.618668 H\n0.590766 0.492999 0.118668 H\n0.409235 0.507001 0.881332 H\n0.129244 0.984077 0.344135 H\n0.646728 0.821956 0.141203 H\n0.160618 0.457743 0.751826 C\n0.151844 0.819921 0.145179 C\n0.848156 0.180078 0.854822 C\n0.742867 0.093742 0.935193 C\n0.151844 0.680077 0.645178 C\n0.257133 0.906257 0.064808 C\n0.839382 0.542257 0.248175 C\n0.848156 0.319922 0.354822 C\n0.839382 0.957742 0.748175 C\n0.355961 0.134965 0.157119 C\n0.330456 0.366007 0.802416 C\n0.669544 0.633993 0.197584 C\n0.669544 0.866006 0.697584 C\n0.330456 0.133993 0.302416 C\n0.355961 0.365035 0.657119 C\n0.644039 0.634964 0.342882 C\n0.644039 0.865035 0.842882 C\n0.742867 0.406258 0.435193 C\n0.160618 0.042257 0.251826 C\n0.257133 0.593742 0.564807 C\n",
"nsites": 60,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.067989677257328,
"density_atomic": 0.13755849613148502,
"volume": 436.1780746908509,
"volume_molar": 4.377876270356829,
"formula_full": "H40 C20",
"formula_reduced": "H2C",
"formula_anonymous": "AB2",
"energy_above_hull": 3.26792,
"spacegroup": 14
},
{
"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-97936",
"created_at": "2022-09-04T14:36:11.383665Z",
"updated_at": "2022-09-04T14:36:11.383692Z",
"structure_string": "In4 H28 N8 O4 F16\n1.0\n6.818044 0.000000 0.000000\n0.000000 8.542216 0.000000\n0.000000 0.000000 9.276555\nIn H N O F\n4 28 8 4 16\ndirect\n0.863276 0.709277 0.451309 In\n0.636724 0.290723 0.951309 In\n0.363276 0.790724 0.548690 In\n0.136724 0.209277 0.048691 In\n0.782712 0.786748 0.785325 H\n0.717287 0.213252 0.285326 H\n0.282712 0.713252 0.214674 H\n0.217287 0.286748 0.714674 H\n0.739440 0.781410 0.964711 H\n0.239441 0.718591 0.035288 H\n0.915936 0.178853 0.689230 H\n0.260559 0.281410 0.535288 H\n0.911317 0.905364 0.895023 H\n0.411317 0.594637 0.104977 H\n0.088682 0.405364 0.604977 H\n0.760559 0.218591 0.464711 H\n0.584063 0.821148 0.189230 H\n0.588682 0.094637 0.395023 H\n0.084063 0.678853 0.810770 H\n0.415936 0.321147 0.310770 H\n-0.001641 0.478992 0.254020 H\n0.501641 0.521009 0.754019 H\n0.498359 0.021009 0.745980 H\n0.001641 0.978992 0.245980 H\n0.732300 0.493289 0.716167 H\n0.767699 0.506711 0.216167 H\n0.232301 0.006711 0.283833 H\n0.947282 0.573046 0.917192 H\n0.552717 0.426954 0.417192 H\n0.447282 0.926955 0.082807 H\n0.052717 0.073046 0.582807 H\n0.267699 0.993289 0.783832 H\n0.650865 0.205701 0.386441 N\n0.150865 0.294299 0.613559 N\n0.849134 0.794299 0.886440 N\n0.349135 0.705701 0.113559 N\n0.508660 0.817528 0.093048 N\n0.491340 0.317528 0.406952 N\n0.008660 0.682472 0.906952 N\n0.991339 0.182472 0.593047 N\n0.869864 0.516893 0.293060 O\n0.630136 0.483108 0.793060 O\n0.369864 0.983108 0.706939 O\n0.130136 0.016893 0.206939 O\n0.829224 0.188941 0.117329 F\n0.670775 0.811060 0.617328 F\n0.108594 0.026854 0.899702 F\n0.391406 0.973147 0.399702 F\n0.608594 0.473146 0.100297 F\n0.891406 0.526854 0.600297 F\n0.184363 0.397923 0.185430 F\n0.446741 0.153409 0.095973 F\n0.684363 0.102077 0.814570 F\n0.815637 0.897923 0.314570 F\n0.053259 0.846592 0.595972 F\n0.946740 0.346591 0.904027 F\n0.553259 0.653409 0.404027 F\n0.170775 0.688941 0.382671 F\n0.315637 0.602077 0.685429 F\n0.329225 0.311060 0.882671 F\n",
"nsites": 60,
"nelements": 5,
"elements": [
"In",
"H",
"N",
"O",
"F"
],
"chemical_system": "F-H-In-N-O",
"density": 2.9736644676913255,
"density_atomic": 0.11105399290988525,
"volume": 540.2777372326179,
"volume_molar": 5.422714305181863,
"formula_full": "In4 H28 N8 O4 F16",
"formula_reduced": "InH7N2OF4",
"formula_anonymous": "ABC2D4E7",
"energy_above_hull": 2.3737327400000003,
"spacegroup": 19
},
{
"id": "jvasp-112234",
"created_at": "2022-09-04T14:38:46.442920Z",
"updated_at": "2022-09-04T14:38:46.442944Z",
"structure_string": "H32 C20 O8\n1.0\n5.188925 0.000000 -2.118330\n0.000000 14.620964 0.000000\n-0.002281 0.000000 6.246791\nH C O\n32 20 8\ndirect\n0.899783 0.502052 0.752293 H\n0.412318 0.023422 0.461877 H\n0.587683 0.523422 0.538123 H\n0.860846 0.515515 0.457548 H\n0.639477 0.207824 0.896238 H\n0.360524 0.707824 0.103762 H\n0.002342 0.308403 0.126669 H\n-0.002342 0.808403 0.873331 H\n0.433057 0.167759 0.206941 H\n0.566944 0.667759 0.793059 H\n0.108288 0.159186 0.004342 H\n0.891713 0.659186 0.995658 H\n0.205050 0.357890 0.520315 H\n0.794951 0.857890 0.479685 H\n0.181205 0.201507 0.694268 H\n0.818796 0.701507 0.305732 H\n0.139155 0.015515 0.542452 H\n0.174028 0.645072 0.580897 H\n0.825973 0.145072 0.419103 H\n0.100218 0.002052 0.247707 H\n0.295423 0.794384 0.520818 H\n0.704578 0.294384 0.479183 H\n0.313275 0.853801 0.278371 H\n0.686726 0.353802 0.721629 H\n0.496553 0.047745 0.980271 H\n0.585683 0.963546 0.200340 H\n0.414318 0.463546 0.799661 H\n0.306203 0.945406 0.945758 H\n0.693798 0.445406 0.054242 H\n0.243354 0.580199 0.255341 H\n0.756647 0.080199 0.744659 H\n0.503448 0.547745 0.019729 H\n0.331319 0.427687 0.093715 C\n0.668682 0.927687 0.906285 C\n0.793134 0.539340 0.592100 C\n0.498476 0.474146 0.987806 C\n0.398134 0.798471 0.402092 C\n0.601867 0.298471 0.597908 C\n0.501525 0.974146 0.012194 C\n0.585221 0.205264 0.707950 C\n0.206867 0.039341 0.407900 C\n0.414780 0.705263 0.292050 C\n0.796891 0.785987 0.790315 C\n0.845447 0.641390 0.633937 C\n0.203110 0.285987 0.209685 C\n0.231565 0.183545 0.176689 C\n0.768436 0.683545 0.823311 C\n0.302461 0.300921 0.473183 C\n0.697540 0.800921 0.526817 C\n0.284280 0.204544 0.576337 C\n0.715721 0.704544 0.423664 C\n0.154554 0.141391 0.366064 C\n0.737618 0.137221 0.653505 O\n0.262383 0.637221 0.346495 O\n0.183606 0.467820 0.167353 O\n0.122069 0.656503 0.713848 O\n0.354072 0.336385 0.098431 O\n0.645929 0.836385 0.901569 O\n0.816395 0.967820 0.832647 O\n0.877932 0.156503 0.286152 O\n",
"nsites": 60,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.403350535302032,
"density_atomic": 0.12662096453084135,
"volume": 473.8551804775241,
"volume_molar": 4.7560376611514235,
"formula_full": "H32 C20 O8",
"formula_reduced": "H8C5O2",
"formula_anonymous": "A2B5C8",
"energy_above_hull": 4.580653799999999,
"spacegroup": 4
},
{
"id": "jvasp-112193",
"created_at": "2022-09-04T14:38:45.423499Z",
"updated_at": "2022-09-04T14:38:45.423526Z",
"structure_string": "H36 C24\n1.0\n7.272993 0.013657 2.108200\n1.063728 7.254429 2.819860\n0.007841 0.008439 8.099359\nH C\n36 24\ndirect\n0.482321 0.417797 0.140903 H\n0.499775 0.362070 0.518438 H\n0.500225 0.637930 0.481562 H\n0.454899 0.221621 0.747397 H\n0.545101 0.778380 0.252603 H\n0.144046 0.858088 0.620091 H\n0.855954 0.141912 0.379909 H\n0.307378 0.663944 0.698515 H\n0.692622 0.336056 0.301485 H\n0.019008 0.870094 0.932315 H\n0.162544 0.657726 0.010429 H\n0.837455 0.342274 0.989571 H\n0.261796 0.033059 0.930169 H\n0.738204 0.966942 0.069831 H\n0.414093 0.822386 0.980691 H\n0.585907 0.177614 0.019308 H\n0.863020 0.612536 0.210422 H\n0.136980 0.387465 0.789578 H\n0.980991 0.129907 0.067685 H\n0.172588 0.511954 0.554571 H\n0.827412 0.488046 0.445429 H\n0.517679 0.582204 0.859097 H\n0.285493 0.457118 0.308317 H\n0.714507 0.542882 0.691683 H\n0.707941 0.689976 -0.007872 H\n0.092552 0.357375 0.171582 H\n0.907448 0.642626 0.828418 H\n0.292059 0.310024 0.007871 H\n0.658181 0.009129 0.788781 H\n0.150455 0.044149 0.377254 H\n0.849545 0.955852 0.622746 H\n0.057439 0.267768 0.506958 H\n0.942561 0.732233 0.493042 H\n0.046255 0.134370 0.736856 H\n0.341818 0.990872 0.211219 H\n0.953744 0.865631 0.263144 H\n0.803804 0.625124 0.346277 C\n0.400217 0.278276 0.623573 C\n0.599783 0.721725 0.376427 C\n0.385491 0.927792 0.688677 C\n0.758174 0.200226 0.289587 C\n0.241826 0.799774 0.710413 C\n0.160638 0.795510 0.909575 C\n0.196196 0.374877 0.653723 C\n0.839362 0.204491 0.090425 C\n0.614509 0.072209 0.311323 C\n0.867548 0.779620 0.382895 C\n0.638605 0.642116 0.762986 C\n0.659080 0.870573 0.431785 C\n0.340920 0.129428 0.568215 C\n0.724712 0.906369 0.719823 C\n0.275288 0.093632 0.280177 C\n0.761268 0.706470 0.847249 C\n0.238732 0.293531 0.152751 C\n0.361394 0.357884 0.237014 C\n0.592221 0.846095 0.637119 C\n0.407778 0.153906 0.362881 C\n0.313139 0.904175 0.897082 C\n0.132451 0.220381 0.617105 C\n0.686861 0.095825 0.102918 C\n",
"nsites": 60,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.2622686459849939,
"density_atomic": 0.14053425088949503,
"volume": 426.94218398886426,
"volume_molar": 4.285176547271265,
"formula_full": "H36 C24",
"formula_reduced": "H3C2",
"formula_anonymous": "A2B3",
"energy_above_hull": 4.213684,
"spacegroup": 2
},
{
"id": "jvasp-30772",
"created_at": "2022-09-04T14:37:09.017387Z",
"updated_at": "2022-09-04T14:37:09.017412Z",
"structure_string": "V4 Si16 O40\n1.0\n7.396114 0.000000 0.000000\n0.000000 7.396114 -0.000000\n0.000000 0.000000 15.113668\nV Si O\n4 16 40\ndirect\n0.250000 0.250000 0.567474 V\n0.750000 0.750000 0.932526 V\n0.750000 0.750000 0.432526 V\n0.250000 0.250000 0.067474 V\n0.573434 0.507334 0.146188 Si\n0.926565 0.992665 0.146188 Si\n0.007334 0.073434 0.353812 Si\n0.492665 0.426565 0.353812 Si\n0.992665 0.573434 0.146188 Si\n0.426565 0.007334 0.353812 Si\n0.073434 0.492665 0.353812 Si\n0.507334 0.926565 0.146188 Si\n0.426565 0.492665 0.853812 Si\n0.073434 0.007334 0.853812 Si\n0.992665 0.926565 0.646188 Si\n0.507334 0.573434 0.646188 Si\n0.007334 0.426565 0.853812 Si\n0.573434 0.992665 0.646188 Si\n0.926565 0.507334 0.646188 Si\n0.492665 0.073434 0.853812 Si\n0.999907 0.210832 0.875367 O\n0.500092 0.289168 0.875367 O\n0.289168 0.999907 0.875367 O\n0.460363 0.960362 0.250000 O\n0.539637 0.460363 0.250000 O\n0.960362 0.039637 0.250000 O\n0.039637 0.539637 0.250000 O\n0.539637 0.039637 0.750000 O\n0.710832 0.000092 0.124633 O\n0.039637 0.960362 0.750000 O\n0.960362 0.460363 0.750000 O\n0.499908 0.710832 0.124633 O\n0.000092 0.789168 0.124633 O\n0.210832 0.999907 0.375367 O\n0.289168 0.500092 0.375367 O\n0.789168 0.499908 0.124633 O\n0.789168 0.000092 0.624633 O\n0.460363 0.539637 0.750000 O\n0.710832 0.499908 0.624633 O\n0.532224 0.859709 0.414605 O\n0.499908 0.789168 0.624633 O\n0.032224 0.359709 0.585395 O\n0.467775 0.140291 0.585395 O\n0.859709 0.532224 0.914605 O\n0.359709 0.467775 0.585395 O\n0.140291 0.032224 0.585395 O\n0.967775 0.859709 0.914605 O\n0.532224 0.640290 0.914605 O\n0.640290 0.967775 0.914605 O\n0.967775 0.640290 0.414605 O\n0.500092 0.210832 0.375367 O\n0.140291 0.467775 0.085395 O\n0.640290 0.532224 0.414605 O\n0.859709 0.967775 0.414605 O\n0.032224 0.140291 0.085395 O\n0.467775 0.359709 0.085395 O\n0.999907 0.289168 0.375367 O\n0.359709 0.032224 0.085395 O\n0.210832 0.500092 0.875367 O\n0.000092 0.710832 0.624633 O\n",
"nsites": 60,
"nelements": 3,
"elements": [
"V",
"Si",
"O"
],
"chemical_system": "O-Si-V",
"density": 2.597212573819835,
"density_atomic": 0.07257285014541712,
"volume": 826.7554585464895,
"volume_molar": 8.29806290910884,
"formula_full": "V4 Si16 O40",
"formula_reduced": "V(Si2O5)2",
"formula_anonymous": "AB4C10",
"energy_above_hull": 3.2178542400000003,
"spacegroup": 130
}
]
}