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=175",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=173",
"results": [
{
"id": "jvasp-69104",
"created_at": "2022-09-04T14:36:19.366896Z",
"updated_at": "2022-09-04T14:36:19.366923Z",
"structure_string": "K2 Ba1 Be1\n1.0\n4.194820 0.000000 -0.000000\n0.000000 4.194820 -0.000000\n-0.000000 -0.000000 10.781436\nK Ba Be\n2 1 1\ndirect\n0.000000 0.000000 0.675791 K\n0.000000 0.000000 0.324209 K\n0.500000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Ba",
"Be"
],
"chemical_system": "Ba-Be-K",
"density": 1.965311467796335,
"density_atomic": 0.021084180338618443,
"volume": 189.71569848857132,
"volume_molar": 28.562366016997395,
"formula_full": "K2 Ba1 Be1",
"formula_reduced": "K2BaBe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0801970175,
"spacegroup": 123
},
{
"id": "jvasp-79174",
"created_at": "2022-09-04T14:37:51.754111Z",
"updated_at": "2022-09-04T14:37:51.754137Z",
"structure_string": "Mg3 Al1\n1.0\n6.194716 -0.043181 0.000000\n-1.567377 2.714777 0.000000\n0.000000 0.000000 5.039135\nMg Al\n3 1\ndirect\n0.667407 0.667408 0.250000 Mg\n0.329044 0.329044 0.750001 Mg\n0.837136 0.337136 0.750001 Mg\n0.166413 0.666414 0.250000 Al\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Al"
],
"chemical_system": "Al-Mg",
"density": 1.965347369358925,
"density_atomic": 0.0473914258513269,
"volume": 84.40345332821433,
"volume_molar": 12.70723691431493,
"formula_full": "Mg3 Al1",
"formula_reduced": "Mg3Al",
"formula_anonymous": "AB3",
"energy_above_hull": 0.3179643285714286,
"spacegroup": 25
},
{
"id": "jvasp-69057",
"created_at": "2022-09-04T14:36:11.783831Z",
"updated_at": "2022-09-04T14:36:11.783853Z",
"structure_string": "K2 Ba1 Be1\n1.0\n4.191252 -0.000000 0.000000\n-0.000000 4.191252 0.000000\n-0.000000 -0.000000 10.795009\nK Ba Be\n2 1 1\ndirect\n0.000000 0.000000 0.675867 K\n0.000000 0.000000 0.324133 K\n0.500000 0.500000 -0.000000 Ba\n0.500000 0.500000 0.500000 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Ba",
"Be"
],
"chemical_system": "Ba-Be-K",
"density": 1.9661837449969266,
"density_atomic": 0.02109353826997126,
"volume": 189.63153306974564,
"volume_molar": 28.54969461701508,
"formula_full": "K2 Ba1 Be1",
"formula_reduced": "K2BaBe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0800995175,
"spacegroup": 123
},
{
"id": "jvasp-51350",
"created_at": "2022-09-04T14:37:07.301504Z",
"updated_at": "2022-09-04T14:37:07.301532Z",
"structure_string": "Li2 H2 O4\n1.0\n2.732310 3.737636 -1.369368\n-2.732310 3.737636 1.369368\n-0.006917 0.000000 3.306563\nLi H O\n2 2 4\ndirect\n0.312850 0.312851 0.499999 Li\n0.687150 0.687151 0.499999 Li\n0.809101 0.190900 0.279890 H\n0.190900 0.809101 0.720108 H\n0.709588 0.290413 0.446285 O\n0.290412 0.709589 0.553714 O\n0.172447 0.172447 -0.000000 O\n0.827554 0.827554 -0.000000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"H",
"O"
],
"chemical_system": "H-Li-O",
"density": 1.966496112224084,
"density_atomic": 0.11858008884506321,
"volume": 67.46495198239228,
"volume_molar": 5.078542965057591,
"formula_full": "Li2 H2 O4",
"formula_reduced": "LiHO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.84564175,
"spacegroup": 12
},
{
"id": "jvasp-38004",
"created_at": "2022-09-04T14:38:06.297332Z",
"updated_at": "2022-09-04T14:38:06.297347Z",
"structure_string": "Li6 P1 S5 Br1\n1.0\n5.092644 5.092644 -0.000000\n5.092644 -0.000000 -5.092644\n-0.000000 5.092644 -5.092644\nLi P S Br\n6 1 5 1\ndirect\n0.023282 0.476718 0.023282 Li\n0.476718 0.023282 0.476718 Li\n0.023282 0.476718 0.476718 Li\n0.476718 0.023282 0.023282 Li\n0.023282 0.023282 0.476718 Li\n0.476718 0.476718 0.023282 Li\n0.500000 0.500000 0.500000 P\n0.616754 0.616754 0.149735 S\n0.616754 0.149735 0.616754 S\n0.149735 0.616754 0.616754 S\n0.616754 0.616754 0.616754 S\n0.250000 0.250000 0.250000 S\n0.000000 0.000000 0.000000 Br\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Li",
"P",
"S",
"Br"
],
"chemical_system": "Br-Li-P-S",
"density": 1.9666342056114832,
"density_atomic": 0.04921340368874698,
"volume": 264.15567763244445,
"volume_molar": 12.236789794275108,
"formula_full": "Li6 P1 S5 Br1",
"formula_reduced": "Li6PS5Br",
"formula_anonymous": "ABC5D6",
"energy_above_hull": 1.4717638157692308,
"spacegroup": 216
},
{
"id": "jvasp-113506",
"created_at": "2022-09-04T14:38:48.195844Z",
"updated_at": "2022-09-04T14:38:48.195867Z",
"structure_string": "Si1 Cl1\n1.0\n4.495479 -0.000000 -0.000000\n-2.247740 3.893199 0.000000\n0.000000 -0.000000 3.065002\nSi Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 Si\n0.333333 0.666667 0.000000 Cl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Si",
"Cl"
],
"chemical_system": "Cl-Si",
"density": 1.9668566872892457,
"density_atomic": 0.03728349844486858,
"volume": 53.643034678127556,
"volume_molar": 16.152295281262276,
"formula_full": "Si1 Cl1",
"formula_reduced": "SiCl",
"formula_anonymous": "AB",
"energy_above_hull": 1.2361363337499995,
"spacegroup": 187
},
{
"id": "jvasp-112076",
"created_at": "2022-09-04T14:38:43.757729Z",
"updated_at": "2022-09-04T14:38:43.757751Z",
"structure_string": "Sn1 H16 C9 O4\n1.0\n4.544526 -0.043054 -0.684890\n-1.669095 6.611836 -1.016979\n-0.122473 0.204683 8.622412\nSn H C O\n1 16 9 4\ndirect\n0.154599 0.358519 0.632703 Sn\n0.818172 0.748213 0.029185 H\n0.582789 0.689653 0.775402 H\n0.158887 0.984416 0.513957 H\n0.788166 0.025981 0.448680 H\n0.893342 0.969094 0.645792 H\n0.956276 0.907522 0.214557 H\n0.408633 0.733272 0.584496 H\n0.213291 0.744427 0.748821 H\n0.437576 0.774322 0.289195 H\n0.919756 0.632902 0.351656 H\n0.746175 0.438613 0.192372 H\n0.025335 0.236760 0.082148 H\n0.957936 0.049242 0.917301 H\n0.401218 0.930256 0.971922 H\n0.540888 0.086943 0.158184 H\n0.331174 0.600639 0.109496 H\n0.610121 -0.000890 0.061255 C\n0.840490 0.138545 0.988879 C\n0.696084 0.547569 0.281914 C\n0.528855 0.688292 0.200722 C\n0.720802 0.270292 0.878542 C\n0.527917 0.431460 0.391784 C\n0.367927 0.673179 0.692732 C\n0.973828 0.043304 0.550143 C\n0.745919 0.834760 0.125811 C\n0.674483 0.386207 0.517486 O\n0.917736 0.405489 0.833971 O\n0.435378 0.241589 0.832770 O\n0.238684 0.387794 0.366793 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 1.9672053396274778,
"density_atomic": 0.11579270043438053,
"volume": 259.0836891052639,
"volume_molar": 5.200794814706591,
"formula_full": "Sn1 H16 C9 O4",
"formula_reduced": "SnH16C9O4",
"formula_anonymous": "AB4C9D16",
"energy_above_hull": 4.51234319,
"spacegroup": 1
},
{
"id": "jvasp-112022",
"created_at": "2022-09-04T14:38:41.871303Z",
"updated_at": "2022-09-04T14:38:41.871329Z",
"structure_string": "Sn1 H16 C9 O4\n1.0\n4.545282 -0.042847 -0.678859\n-1.668449 6.608479 -1.023137\n-0.133470 0.207882 8.623417\nSn H C O\n1 16 9 4\ndirect\n0.200741 0.658651 0.381635 Sn\n0.002557 0.207637 0.963466 H\n0.939905 0.268979 0.394684 H\n0.629106 -0.010157 0.524358 H\n0.259667 0.044722 0.497862 H\n0.454916 0.033529 0.333520 H\n0.864382 0.048226 0.778103 H\n0.834175 0.325901 0.197675 H\n0.205089 0.284485 0.262661 H\n0.447433 0.230380 0.720933 H\n0.004104 0.349286 0.666196 H\n0.071674 0.536967 0.831011 H\n0.792638 0.738700 0.941464 H\n0.965947 0.933191 0.100708 H\n0.483648 0.074446 0.038024 H\n0.377474 0.900566 0.858380 H\n0.587308 0.387195 0.907163 H\n0.575068 0.988360 0.949627 C\n0.742344 0.847719 0.030920 C\n0.886728 0.438681 0.737788 C\n0.656410 0.299262 0.810215 C\n0.574118 0.731605 0.140760 C\n0.766970 0.570420 0.627465 C\n0.020063 0.343289 0.299022 C\n0.414227 0.973413 0.441729 C\n0.792170 0.134848 0.874731 C\n0.963893 0.705670 0.582886 O\n0.720670 0.686334 0.266432 O\n0.284870 0.687947 0.115772 O\n0.481533 0.541660 0.581698 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 1.9677943982803998,
"density_atomic": 0.11582737332325596,
"volume": 259.0061324819542,
"volume_molar": 5.199237958365121,
"formula_full": "Sn1 H16 C9 O4",
"formula_reduced": "SnH16C9O4",
"formula_anonymous": "AB4C9D16",
"energy_above_hull": 4.512344523333334,
"spacegroup": 1
},
{
"id": "jvasp-118693",
"created_at": "2022-09-04T14:38:52.624349Z",
"updated_at": "2022-09-04T14:38:52.624364Z",
"structure_string": "Mg1 Cl1\n1.0\n3.849429 0.000000 0.000000\n0.000000 3.849429 0.000000\n-0.000000 0.000000 3.402710\nMg Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Cl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Cl"
],
"chemical_system": "Cl-Mg",
"density": 1.9680112940163563,
"density_atomic": 0.039665454111355525,
"volume": 50.42170938936597,
"volume_molar": 15.182331565128777,
"formula_full": "Mg1 Cl1",
"formula_reduced": "MgCl",
"formula_anonymous": "AB",
"energy_above_hull": 0.21078,
"spacegroup": 123
},
{
"id": "jvasp-9978",
"created_at": "2022-09-04T14:37:13.440184Z",
"updated_at": "2022-09-04T14:37:13.440204Z",
"structure_string": "K4 C4 S4 N4\n1.0\n6.641258 0.000000 0.000000\n-0.000000 6.684884 0.000000\n0.000000 0.000000 7.385636\nK C S N\n4 4 4 4\ndirect\n0.750000 0.804761 0.500000 K\n0.250000 0.195238 0.000000 K\n0.250000 0.195238 0.500000 K\n0.750000 0.804761 0.000000 K\n0.712274 0.232408 0.250000 C\n0.787727 0.232408 0.750000 C\n0.287727 0.767591 0.750000 C\n0.212273 0.767591 0.250000 C\n0.890374 0.399428 0.250000 S\n0.609626 0.399428 0.750000 S\n0.390374 0.600572 0.250000 S\n0.109626 0.600572 0.750000 S\n0.082391 0.890221 0.250000 N\n0.417609 0.890221 0.750000 N\n0.582391 0.109779 0.250000 N\n0.917610 0.109779 0.750000 N\n",
"nsites": 16,
"nelements": 4,
"elements": [
"K",
"C",
"S",
"N"
],
"chemical_system": "C-K-N-S",
"density": 1.9685977504193153,
"density_atomic": 0.048796408163107936,
"volume": 327.89298643699453,
"volume_molar": 12.3413607408772,
"formula_full": "K4 C4 S4 N4",
"formula_reduced": "KCSN",
"formula_anonymous": "ABCD",
"energy_above_hull": 2.9005153125000005,
"spacegroup": 57
},
{
"id": "jvasp-101966",
"created_at": "2022-09-04T14:37:00.103965Z",
"updated_at": "2022-09-04T14:37:00.103980Z",
"structure_string": "Cd1 H20 C12 O4\n1.0\n3.795651 0.153081 0.216247\n1.251092 4.397336 0.208573\n0.412355 0.080386 17.439716\nCd H C O\n1 20 12 4\ndirect\n0.772725 0.948129 0.851185 Cd\n0.330312 0.186147 0.509887 H\n0.087126 0.658970 0.589688 H\n0.436286 0.758831 0.052427 H\n0.766322 0.764529 0.164726 H\n0.216695 0.710420 0.192479 H\n0.543837 0.731957 0.305740 H\n-0.004059 0.674905 0.333073 H\n0.317788 0.699856 0.447404 H\n0.769824 0.643510 0.474813 H\n-0.011536 0.817019 0.025741 H\n0.537218 0.607212 0.617728 H\n0.008774 0.289388 0.084793 H\n0.459103 0.237474 0.112707 H\n0.776882 0.253358 0.227710 H\n0.229076 0.196893 0.255038 H\n0.551403 0.221825 0.369381 H\n0.003375 0.164988 0.396763 H\n0.110000 0.137468 0.649871 H\n0.557626 0.079398 0.676662 H\n0.780454 0.132274 0.537745 H\n0.412727 0.489084 0.960492 C\n0.248535 0.634364 0.036572 C\n0.192939 0.413934 0.102086 C\n0.030777 0.585439 0.176054 C\n0.965362 0.376654 0.243647 C\n0.807049 0.551735 0.317260 C\n0.353300 0.482599 0.600347 C\n0.581506 0.520154 0.458826 C\n0.515963 0.311251 0.526381 C\n0.297547 0.261993 0.665805 C\n0.132920 0.407080 0.741883 C\n0.740124 0.345116 0.385220 C\n0.367819 0.663216 0.899046 O\n0.177734 0.232813 0.803306 O\n0.949798 0.691623 0.741629 O\n0.595630 0.204484 0.960761 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 1.969011810484272,
"density_atomic": 0.12877577373793572,
"volume": 287.3211235779224,
"volume_molar": 4.676454728398928,
"formula_full": "Cd1 H20 C12 O4",
"formula_reduced": "CdH20(C3O)4",
"formula_anonymous": "AB4C12D20",
"energy_above_hull": 4.595542533783784,
"spacegroup": 2
},
{
"id": "jvasp-101854",
"created_at": "2022-09-04T14:36:40.363133Z",
"updated_at": "2022-09-04T14:36:40.363151Z",
"structure_string": "H2 C6 S4 N2 O2\n1.0\n4.127794 -0.002097 0.356320\n0.113596 4.425245 0.046546\n-0.027881 -0.066929 12.106913\nH C S N O\n2 6 4 2 2\ndirect\n0.921696 0.730591 0.361114 H\n0.421681 0.730600 0.861114 H\n0.857660 0.688396 0.197195 C\n0.357649 0.688405 0.697195 C\n0.389645 0.165489 0.806716 C\n0.889657 0.165480 0.306717 C\n0.734356 0.372850 0.225102 C\n0.234346 0.372859 0.725101 C\n0.464072 0.296460 0.930161 S\n0.964076 0.296451 0.430162 S\n0.916792 0.793562 0.067931 S\n0.416790 0.793569 0.567931 S\n0.895441 0.860450 0.289915 N\n0.395423 0.860459 0.789915 N\n0.482864 0.293576 0.188113 O\n0.982852 0.293583 0.688111 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.9693969545015626,
"density_atomic": 0.07233013977342088,
"volume": 221.20792314408757,
"volume_molar": 8.325907815005982,
"formula_full": "H2 C6 S4 N2 O2",
"formula_reduced": "HC3S2NO",
"formula_anonymous": "ABCD2E3",
"energy_above_hull": 4.6695533437500005,
"spacegroup": 1
}
]
}