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=85",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=83",
"results": [
{
"id": "jvasp-117962",
"created_at": "2022-09-04T14:38:50.468169Z",
"updated_at": "2022-09-04T14:38:50.468196Z",
"structure_string": "Ca1 C2\n1.0\n4.310725 0.000000 -0.328058\n0.000000 4.392616 0.000000\n-0.377235 0.000000 3.692689\nCa C\n1 2\ndirect\n0.466682 0.000000 -0.200009 Ca\n-0.145058 0.000000 -0.612842 C\n0.078376 0.000000 0.212851 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ca",
"C"
],
"chemical_system": "C-Ca",
"density": 1.5341801695668815,
"density_atomic": 0.0432408833882622,
"volume": 69.37878611458605,
"volume_molar": 13.926960524665688,
"formula_full": "Ca1 C2",
"formula_reduced": "CaC2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.5284068066666663,
"spacegroup": 10
},
{
"id": "jvasp-119984",
"created_at": "2022-09-04T14:38:49.563948Z",
"updated_at": "2022-09-04T14:38:49.563968Z",
"structure_string": "Mg2 Be1\n1.0\n2.947986 0.000000 0.000000\n0.000000 2.954177 0.000000\n0.000000 0.000000 7.160229\nMg Be\n2 1\ndirect\n-0.033298 0.000000 0.705550 Mg\n-0.033298 0.000000 0.294450 Mg\n0.466597 0.000000 0.000000 Be\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"Be"
],
"chemical_system": "Be-Mg",
"density": 1.5344401573885917,
"density_atomic": 0.048109673903622814,
"volume": 62.35752098444571,
"volume_molar": 12.517525627099529,
"formula_full": "Mg2 Be1",
"formula_reduced": "Mg2Be",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2173780666666666,
"spacegroup": 47
},
{
"id": "jvasp-118674",
"created_at": "2022-09-04T14:38:26.662584Z",
"updated_at": "2022-09-04T14:38:26.662621Z",
"structure_string": "Mg2 C1\n1.0\n3.053457 0.000000 0.000000\n0.000000 3.053457 0.000000\n0.000000 0.000000 7.032464\nMg C\n2 1\ndirect\n0.000000 -0.000000 0.295280 Mg\n0.000000 -0.000000 0.704720 Mg\n0.000000 0.000000 0.000000 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"C"
],
"chemical_system": "C-Mg",
"density": 1.53524930638411,
"density_atomic": 0.04575411086278707,
"volume": 65.56787889500816,
"volume_molar": 13.161966534679081,
"formula_full": "Mg2 C1",
"formula_reduced": "Mg2C",
"formula_anonymous": "AB2",
"energy_above_hull": 1.8113327,
"spacegroup": 123
},
{
"id": "jvasp-109574",
"created_at": "2022-09-04T14:38:27.158224Z",
"updated_at": "2022-09-04T14:38:27.158261Z",
"structure_string": "Na1 Li5 N2\n1.0\n3.710257 -0.000000 0.000000\n0.000000 3.806603 0.205657\n-0.000000 -0.010268 6.557816\nNa Li N\n1 5 2\ndirect\n0.500000 0.212333 0.887900 Na\n-0.000000 0.951786 0.644593 Li\n-0.000000 0.586460 0.013189 Li\n0.500000 0.024764 0.253294 Li\n0.500000 0.499790 0.547007 Li\n-0.000000 0.496011 0.352589 Li\n0.500000 0.535350 0.207908 N\n-0.000000 0.449501 0.675528 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Li",
"N"
],
"chemical_system": "Li-N-Na",
"density": 1.5365042785607648,
"density_atomic": 0.08636791684866407,
"volume": 92.62698802864253,
"volume_molar": 6.972659501041503,
"formula_full": "Na1 Li5 N2",
"formula_reduced": "NaLi5N2",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.8510756875,
"spacegroup": 6
},
{
"id": "jvasp-104128",
"created_at": "2022-09-04T14:36:55.986086Z",
"updated_at": "2022-09-04T14:36:55.986105Z",
"structure_string": "H16 C22 S2 O2\n1.0\n3.763735 -0.207386 0.321278\n0.610152 8.320106 1.999896\n-0.153482 -0.594092 12.786773\nH C S O\n16 22 2 2\ndirect\n0.243291 0.427803 0.860466 H\n0.430872 0.669867 0.236462 H\n0.431039 0.669832 0.736497 H\n0.815516 0.709397 0.087488 H\n0.026889 0.953722 0.464950 H\n0.027091 0.953722 0.964963 H\n0.386522 0.944658 0.124742 H\n0.386686 0.944622 0.624753 H\n0.815389 0.709372 0.587470 H\n0.909510 0.490140 0.210962 H\n0.671946 0.212346 0.808289 H\n0.671363 0.212414 0.308285 H\n0.773479 0.891633 0.696888 H\n0.773308 0.891658 0.196872 H\n0.243212 0.427822 0.360434 H\n0.909907 0.490095 0.710938 H\n0.072770 0.836755 0.444125 C\n0.017568 0.549367 0.984087 C\n0.017489 0.549374 0.484055 C\n0.246331 0.827561 0.844662 C\n0.300505 0.680047 0.813745 C\n0.189576 0.542665 0.884053 C\n0.189470 0.542670 0.384024 C\n0.300349 0.680066 0.313721 C\n0.072938 0.836758 0.944142 C\n0.246171 0.827583 0.344641 C\n0.959003 0.700272 0.511853 C\n0.898645 0.409743 0.060490 C\n0.548916 0.977776 0.685159 C\n0.548751 0.977794 0.185150 C\n0.672937 0.144726 0.654184 C\n0.672787 0.144757 0.154182 C\n0.898652 0.409725 0.560467 C\n0.723401 0.246269 0.722571 C\n0.723039 0.246315 0.222574 C\n0.848596 0.395782 0.669705 C\n0.848326 0.395817 0.169716 C\n0.959137 0.700281 0.011872 C\n0.780237 0.234548 0.023460 S\n0.780091 0.234556 0.523447 S\n0.343984 0.971269 0.785130 O\n0.343817 0.971286 0.285119 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.5365901584128596,
"density_atomic": 0.10322939082428913,
"volume": 406.8608723216228,
"volume_molar": 5.833746292517144,
"formula_full": "H16 C22 S2 O2",
"formula_reduced": "H8C11SO",
"formula_anonymous": "ABC8D11",
"energy_above_hull": 5.506398738095238,
"spacegroup": 1
},
{
"id": "jvasp-90585",
"created_at": "2022-09-04T14:35:53.210561Z",
"updated_at": "2022-09-04T14:35:53.210593Z",
"structure_string": "Li2 Mg6\n1.0\n4.951814 0.000000 -0.000000\n0.000000 4.951814 0.000000\n0.000000 0.000000 7.038015\nLi Mg\n2 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.250000 Mg\n0.000000 0.500000 0.250000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.750000 Mg\n0.500000 0.000000 0.750000 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Li",
"Mg"
],
"chemical_system": "Li-Mg",
"density": 1.5367662384236782,
"density_atomic": 0.04635655482970002,
"volume": 172.57537859294297,
"volume_molar": 12.990915269962418,
"formula_full": "Li2 Mg6",
"formula_reduced": "LiMg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1856642857142857,
"spacegroup": 225
},
{
"id": "jvasp-114879",
"created_at": "2022-09-04T14:38:43.612498Z",
"updated_at": "2022-09-04T14:38:43.612518Z",
"structure_string": "Al1 B1 H2\n1.0\n2.809925 0.000000 0.000000\n0.000000 2.809925 -0.000000\n-0.000000 -0.000000 5.446750\nAl B H\n1 1 2\ndirect\n0.499999 0.499999 0.669642 Al\n0.000000 0.000000 0.870769 B\n0.000000 0.000000 0.088793 H\n0.499999 0.499999 0.380796 H\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"B",
"H"
],
"chemical_system": "Al-B-H",
"density": 1.5370823098246253,
"density_atomic": 0.09301073851417632,
"volume": 43.00578690051296,
"volume_molar": 6.474672555236329,
"formula_full": "Al1 B1 H2",
"formula_reduced": "AlBH2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.8866938458333333,
"spacegroup": 99
},
{
"id": "jvasp-103837",
"created_at": "2022-09-04T14:36:56.763429Z",
"updated_at": "2022-09-04T14:36:56.763440Z",
"structure_string": "H7 C11 S2 N1\n1.0\n3.795522 0.001345 -0.719407\n-0.499967 6.344717 -0.354973\n-0.130431 -0.129983 9.779254\nH C S N\n7 11 2 1\ndirect\n0.874943 0.778940 0.626658 H\n0.131385 0.953345 0.251168 H\n0.279904 0.779559 0.485843 H\n0.654416 0.906575 0.042283 H\n0.621887 0.334662 0.944562 H\n0.303123 0.182807 0.709557 H\n0.184882 0.929285 0.858952 H\n0.213835 0.765347 0.825793 C\n0.040720 0.679931 0.694055 C\n0.426847 0.643361 0.917525 C\n0.072755 0.468710 0.648958 C\n0.447591 0.429512 0.876847 C\n0.775880 0.672622 0.166049 C\n0.902797 0.379451 0.505937 C\n0.910936 0.509691 0.393821 C\n0.020525 0.797816 0.267657 C\n0.095138 0.705529 0.394364 C\n0.271290 0.344902 0.744527 C\n0.695778 0.136943 0.476690 S\n0.651769 0.432243 0.225700 S\n0.623452 0.746669 0.041741 N\n",
"nsites": 21,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"N"
],
"chemical_system": "C-H-N-S",
"density": 1.5375763402188942,
"density_atomic": 0.08948025498788321,
"volume": 234.6886472646247,
"volume_molar": 6.730133660007424,
"formula_full": "H7 C11 S2 N1",
"formula_reduced": "H7C11S2N",
"formula_anonymous": "AB2C7D11",
"energy_above_hull": 5.636360154761905,
"spacegroup": 1
},
{
"id": "jvasp-97577",
"created_at": "2022-09-04T14:35:49.812825Z",
"updated_at": "2022-09-04T14:35:49.812850Z",
"structure_string": "Li2 C1 N2\n1.0\n3.392445 -0.000000 -1.327869\n-0.519753 3.352393 -1.327869\n0.034640 0.040425 5.085949\nLi C N\n2 1 2\ndirect\n0.749999 0.249999 0.499999 Li\n0.250000 0.749999 0.499999 Li\n0.000000 0.000000 0.000000 C\n0.140720 0.140720 0.281440 N\n0.859279 0.859278 0.718559 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Li",
"C",
"N"
],
"chemical_system": "C-Li-N",
"density": 1.5378758109129484,
"density_atomic": 0.08590219481577623,
"volume": 58.205730490622265,
"volume_molar": 7.010462041063023,
"formula_full": "Li2 C1 N2",
"formula_reduced": "Li2CN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.6139653,
"spacegroup": 139
},
{
"id": "jvasp-81768",
"created_at": "2022-09-04T14:37:08.025428Z",
"updated_at": "2022-09-04T14:37:08.025457Z",
"structure_string": "K1 Na2 P1\n1.0\n-13.132282 2.117919 -3.821353\n-8.603049 -0.221443 0.525086\n-7.026565 4.427199 -2.314908\nK Na P\n1 2 1\ndirect\n0.500000 0.000000 0.000000 K\n0.963372 0.857747 0.857719 Na\n0.036626 0.142255 0.142283 Na\n0.000000 0.000000 0.000000 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Na",
"P"
],
"chemical_system": "K-Na-P",
"density": 1.538041742428297,
"density_atomic": 0.031924777689114274,
"volume": 125.29452950157652,
"volume_molar": 18.863532327911663,
"formula_full": "K1 Na2 P1",
"formula_reduced": "KNa2P",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1049028750000001,
"spacegroup": 71
},
{
"id": "jvasp-103763",
"created_at": "2022-09-04T14:37:03.177672Z",
"updated_at": "2022-09-04T14:37:03.177692Z",
"structure_string": "H16 C24 S4\n1.0\n8.093619 -0.000000 0.000000\n-0.000000 5.532795 0.000000\n0.000000 0.000000 10.423034\nH C S\n16 24 4\ndirect\n0.157366 0.115279 0.489078 H\n0.348749 0.847016 0.691561 H\n0.651251 0.152983 0.308438 H\n0.848749 0.347016 0.808438 H\n0.651251 0.847016 0.808438 H\n0.348749 0.152983 0.191562 H\n0.848749 0.652983 0.308438 H\n0.151251 0.347016 0.691561 H\n0.151251 0.652983 0.191562 H\n0.657366 0.384721 0.510922 H\n0.157366 0.884720 0.989078 H\n0.842634 0.115279 0.010922 H\n0.657366 0.615279 0.010922 H\n0.342634 0.384721 0.989078 H\n0.842634 0.884720 0.510922 H\n0.342634 0.615279 0.489078 H\n0.587174 0.216921 0.505760 C\n0.412826 0.783078 0.494239 C\n0.083129 0.413256 0.608608 C\n0.916872 0.586743 0.391392 C\n0.416872 0.086744 0.108608 C\n0.083129 0.586743 0.108608 C\n0.916872 0.413256 0.891391 C\n0.583129 0.086744 0.391392 C\n0.416872 0.913256 0.608608 C\n0.087174 0.716920 0.994239 C\n0.583129 0.913256 0.891391 C\n0.912827 0.283079 0.005761 C\n0.003890 0.631889 0.885080 C\n0.412826 0.216921 0.994239 C\n0.912827 0.716920 0.505760 C\n0.087174 0.283079 0.494239 C\n0.496110 0.868109 0.385080 C\n0.503890 0.131890 0.614919 C\n0.996110 0.368110 0.114919 C\n0.503890 0.868109 0.114919 C\n0.496110 0.131890 0.885080 C\n0.996110 0.631889 0.614919 C\n0.003890 0.368110 0.385080 C\n0.587174 0.783078 0.005761 C\n0.500000 0.326515 0.750000 S\n0.000000 0.173484 0.250000 S\n0.000000 0.826515 0.750000 S\n0.500000 0.673484 0.250000 S\n",
"nsites": 44,
"nelements": 3,
"elements": [
"H",
"C",
"S"
],
"chemical_system": "C-H-S",
"density": 1.5392109064085326,
"density_atomic": 0.09426949626755275,
"volume": 466.7469514753804,
"volume_molar": 6.38821782064916,
"formula_full": "H16 C24 S4",
"formula_reduced": "H4C6S",
"formula_anonymous": "AB4C6",
"energy_above_hull": 5.327481818181819,
"spacegroup": 60
},
{
"id": "jvasp-30975",
"created_at": "2022-09-04T14:38:31.724391Z",
"updated_at": "2022-09-04T14:38:31.724416Z",
"structure_string": "H20 N4 F8\n1.0\n3.589194 0.000000 0.000000\n0.000000 8.177412 0.000000\n0.000000 0.000000 8.386399\nH N F\n20 4 8\ndirect\n0.371911 0.794901 0.341637 H\n0.293116 0.156071 0.793592 H\n0.293116 0.343929 0.706408 H\n0.706883 0.656071 0.706408 H\n0.706883 0.843929 0.793592 H\n0.000000 0.000000 0.500000 H\n0.000000 0.500000 0.500000 H\n0.000000 0.000000 0.000000 H\n0.293116 0.156071 0.206408 H\n0.293116 0.343929 0.293592 H\n0.000000 0.500000 0.000000 H\n0.706883 0.843929 0.206408 H\n0.371911 0.794901 0.658363 H\n0.371911 0.705099 0.841637 H\n0.628088 0.294901 0.841637 H\n0.628088 0.205099 0.658363 H\n0.628088 0.205099 0.341637 H\n0.628088 0.294901 0.158363 H\n0.371911 0.705099 0.158363 H\n0.706883 0.656071 0.293592 H\n0.539187 0.750000 0.250000 N\n0.460812 0.250000 0.250000 N\n0.460812 0.250000 0.750000 N\n0.539187 0.750000 0.750000 N\n0.909302 0.135153 0.500000 F\n0.000000 0.500000 0.362737 F\n0.000000 0.000000 0.137263 F\n0.000000 0.500000 0.637263 F\n0.000000 0.000000 0.862737 F\n0.090697 0.635153 0.000000 F\n0.090697 0.864846 0.500000 F\n0.909302 0.364846 0.000000 F\n",
"nsites": 32,
"nelements": 3,
"elements": [
"H",
"N",
"F"
],
"chemical_system": "F-H-N",
"density": 1.5393050165131574,
"density_atomic": 0.1300054757822287,
"volume": 246.14347824550853,
"volume_molar": 4.632220853595157,
"formula_full": "H20 N4 F8",
"formula_reduced": "H5NF2",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.442667976875,
"spacegroup": 53
}
]
}