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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=371",
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"results": [
{
"id": "jvasp-103995",
"created_at": "2022-09-04T14:36:45.050952Z",
"updated_at": "2022-09-04T14:36:45.050987Z",
"structure_string": "Sn2 H16 C8 Cl4\n1.0\n3.991139 -0.001482 0.003465\n0.001675 5.993984 0.782007\n-0.011835 -0.105332 13.383367\nSn H C Cl\n2 16 8 4\ndirect\n0.092592 0.160459 0.038815 Sn\n0.137482 0.660467 0.538814 Sn\n0.988766 0.542248 0.115856 H\n0.412896 0.456773 0.134463 H\n0.810123 0.270584 0.264114 H\n0.241009 0.042254 0.615879 H\n0.816914 0.956693 0.634457 H\n0.419671 0.770523 0.764130 H\n0.007547 0.668596 0.780166 H\n0.222232 0.168635 0.280166 H\n0.240937 0.278675 0.461742 H\n0.419681 0.550400 0.313497 H\n0.007569 0.652350 0.297447 H\n0.412846 0.864124 0.943166 H\n0.988698 0.778697 0.961759 H\n0.222256 0.152297 0.797460 H\n0.810133 0.050378 0.813499 H\n0.816867 0.364297 0.443154 H\n0.151731 0.403309 0.145505 C\n0.074734 0.318990 0.254872 C\n0.078097 0.903279 0.645512 C\n0.074737 0.001953 0.822750 C\n0.155070 0.501996 0.322741 C\n0.078066 0.417673 0.432106 C\n0.151698 0.917615 0.932117 C\n0.155066 0.818945 0.754879 C\n0.600678 0.429773 0.643168 Cl\n0.629166 0.391116 0.934454 Cl\n0.629188 0.929804 0.143171 Cl\n0.600649 0.891168 0.434452 Cl\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"Cl"
],
"chemical_system": "C-Cl-H-Sn",
"density": 2.5462425733982155,
"density_atomic": 0.09360462975895555,
"volume": 320.4969676954443,
"volume_molar": 6.433592842050461,
"formula_full": "Sn2 H16 C8 Cl4",
"formula_reduced": "SnH8(C2Cl)2",
"formula_anonymous": "AB2C4D8",
"energy_above_hull": 3.736448655666667,
"spacegroup": 13
},
{
"id": "jvasp-101905",
"created_at": "2022-09-04T14:36:43.072043Z",
"updated_at": "2022-09-04T14:36:43.072061Z",
"structure_string": "Zn1 H4 C4 O4\n1.0\n3.379511 -0.260156 0.668462\n-0.295583 4.470626 0.644040\n0.974557 0.483211 8.154409\nZn H C O\n1 4 4 4\ndirect\n0.265212 0.017298 0.248396 Zn\n0.823935 -0.038086 0.654235 H\n0.304674 0.972278 0.723359 H\n0.680448 0.407811 0.823532 H\n0.157582 0.388458 0.867472 H\n0.463330 0.719847 0.533395 C\n0.522615 0.815168 0.691174 C\n0.440537 0.547412 0.847806 C\n0.386659 0.640124 0.018573 C\n0.650598 0.932679 0.379910 O\n0.228374 0.488153 0.542943 O\n0.420273 0.464461 0.152495 O\n0.306251 0.907512 0.024598 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 2.5462911994495925,
"density_atomic": 0.1098425932015972,
"volume": 118.35117526896633,
"volume_molar": 5.482518742931893,
"formula_full": "Zn1 H4 C4 O4",
"formula_reduced": "ZnH4(CO)4",
"formula_anonymous": "AB4C4D4",
"energy_above_hull": 3.959383415384616,
"spacegroup": 1
},
{
"id": "jvasp-40478",
"created_at": "2022-09-04T14:37:49.149558Z",
"updated_at": "2022-09-04T14:37:49.149572Z",
"structure_string": "Li6 Cu2 S4\n1.0\n3.294802 1.902254 5.150118\n-3.294802 1.902254 5.150118\n0.000000 -3.804508 5.150118\nLi Cu S\n6 2 4\ndirect\n0.250000 0.974642 0.525358 Li\n0.025357 0.474643 0.750001 Li\n0.474643 0.750000 0.025358 Li\n0.525357 0.250000 0.974644 Li\n0.974642 0.525357 0.250001 Li\n0.750000 0.025357 0.474644 Li\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500001 Cu\n0.361779 0.361779 0.361779 S\n0.638221 0.638221 0.638223 S\n0.138221 0.138221 0.138222 S\n0.861778 0.861778 0.861781 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Cu",
"S"
],
"chemical_system": "Cu-Li-S",
"density": 2.546457106577534,
"density_atomic": 0.06196051073910958,
"volume": 193.67174119217805,
"volume_molar": 9.719320722446556,
"formula_full": "Li6 Cu2 S4",
"formula_reduced": "Li3CuS2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.8234400750000002,
"spacegroup": 167
},
{
"id": "jvasp-110342",
"created_at": "2022-09-04T14:38:38.823779Z",
"updated_at": "2022-09-04T14:38:38.823805Z",
"structure_string": "K2 Na1 Sm1 Cl6\n1.0\n6.527051 0.000000 3.768395\n2.175683 6.153763 3.768395\n-0.000000 0.000000 7.536790\nK Na Sm Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sm\n0.749778 0.250221 0.250221 Cl\n0.250221 0.250221 0.749778 Cl\n0.250221 0.749778 0.749778 Cl\n0.250221 0.749778 0.250221 Cl\n0.749778 0.250221 0.749778 Cl\n0.749778 0.749778 0.250221 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Na",
"Sm",
"Cl"
],
"chemical_system": "Cl-K-Na-Sm",
"density": 2.546655882935855,
"density_atomic": 0.03303359295783541,
"volume": 302.72214145049725,
"volume_molar": 18.230353469835247,
"formula_full": "K2 Na1 Sm1 Cl6",
"formula_reduced": "K2NaSmCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-119550",
"created_at": "2022-09-04T14:38:51.334850Z",
"updated_at": "2022-09-04T14:38:51.334878Z",
"structure_string": "Li4 V2 C4 O12\n1.0\n4.975093 -0.043298 -1.524932\n-2.455224 5.610883 0.721330\n-0.077006 0.067218 8.691316\nLi V C O\n4 2 4 12\ndirect\n0.209997 0.466147 0.162464 Li\n0.798500 0.966208 0.337783 Li\n0.499620 0.045433 0.662341 Li\n0.588216 0.545606 0.837709 Li\n0.864096 0.506201 0.500225 V\n0.113826 0.005781 0.000207 V\n0.844337 0.604823 0.202396 C\n0.392146 0.104965 0.298143 C\n-0.004462 0.907098 0.702422 C\n0.042854 0.406891 0.798159 C\n0.784333 0.904694 0.755202 O\n0.965443 0.866035 0.554304 O\n0.246923 0.950932 0.809953 O\n0.187150 0.450692 0.691225 O\n0.551304 0.146433 0.446384 O\n0.492486 0.061280 0.191127 O\n0.129921 0.106798 0.244665 O\n0.855103 0.645882 0.054238 O\n0.051978 0.561078 0.309863 O\n0.160216 0.365281 0.946424 O\n0.635609 0.607140 0.255291 O\n0.778800 0.405060 0.744565 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"V",
"C",
"O"
],
"chemical_system": "C-Li-O-V",
"density": 2.5467107472777193,
"density_atomic": 0.09126918962619478,
"volume": 241.04519926279562,
"volume_molar": 6.598218724921834,
"formula_full": "Li4 V2 C4 O12",
"formula_reduced": "Li2V(CO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 3.3881932,
"spacegroup": 43
},
{
"id": "jvasp-100925",
"created_at": "2022-09-04T14:36:44.490202Z",
"updated_at": "2022-09-04T14:36:44.490225Z",
"structure_string": "Na2 Li1 In1 Cl6\n1.0\n6.107886 -0.000000 3.526390\n2.035962 5.758570 3.526390\n-0.000000 0.000000 7.052779\nNa Li In Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 In\n0.748233 0.251768 0.251767 Cl\n0.251768 0.251768 0.748233 Cl\n0.251767 0.748232 0.748233 Cl\n0.251767 0.748232 0.251768 Cl\n0.748233 0.251768 0.748232 Cl\n0.748233 0.748232 0.251768 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Li",
"In",
"Cl"
],
"chemical_system": "Cl-In-Li-Na",
"density": 2.5467616495149663,
"density_atomic": 0.04031198201744223,
"volume": 248.0652029382527,
"volume_molar": 14.938835697521233,
"formula_full": "Na2 Li1 In1 Cl6",
"formula_reduced": "Na2LiInCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-101902",
"created_at": "2022-09-04T14:36:41.644683Z",
"updated_at": "2022-09-04T14:36:41.644705Z",
"structure_string": "Zn1 H4 C4 O4\n1.0\n3.972551 0.128883 0.183689\n1.214998 4.136928 0.643123\n0.065704 -0.293237 7.229982\nZn H C O\n1 4 4 4\ndirect\n0.700928 0.843129 0.273233 Zn\n-0.002062 0.558253 0.675815 H\n0.170049 0.123399 0.721430 H\n0.512718 0.614511 0.836291 H\n0.677744 0.182157 0.887899 H\n0.464700 0.336394 0.520969 C\n0.238270 0.349741 0.696996 C\n0.439000 0.391247 0.864558 C\n0.210124 0.421260 0.039859 C\n0.402046 0.595970 0.410294 O\n0.704547 0.069253 0.494705 O\n0.255673 0.187735 0.166367 O\n0.965692 0.695382 0.049766 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 2.54683841504409,
"density_atomic": 0.10986619913478857,
"volume": 118.3257462474973,
"volume_molar": 5.481340764880543,
"formula_full": "Zn1 H4 C4 O4",
"formula_reduced": "ZnH4(CO)4",
"formula_anonymous": "AB4C4D4",
"energy_above_hull": 3.958384184615385,
"spacegroup": 1
},
{
"id": "jvasp-52357",
"created_at": "2022-09-04T14:36:12.290907Z",
"updated_at": "2022-09-04T14:36:12.290930Z",
"structure_string": "Li10 Sb2 S2\n1.0\n4.816819 -0.000000 0.060234\n-2.408409 8.298648 -0.030117\n-0.266403 0.000000 6.146331\nLi Sb S\n10 2 2\ndirect\n0.179501 0.924169 0.090410 Li\n0.197796 0.381789 0.994515 Li\n0.364020 0.728039 0.749999 Li\n0.183993 0.381789 0.505484 Li\n0.255331 0.075831 0.590410 Li\n0.744669 0.924169 0.409589 Li\n0.816008 0.618212 0.494515 Li\n0.635981 0.271961 0.249999 Li\n0.802204 0.618212 0.005484 Li\n0.820500 0.075831 0.909589 Li\n0.332827 0.665657 0.249999 Sb\n0.667173 0.334344 0.749999 Sb\n0.074353 0.148707 0.250000 S\n0.925647 0.851293 0.749999 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Sb",
"S"
],
"chemical_system": "Li-S-Sb",
"density": 2.5470684610704475,
"density_atomic": 0.05695201486371667,
"volume": 245.8209781252042,
"volume_molar": 10.574060943077576,
"formula_full": "Li10 Sb2 S2",
"formula_reduced": "Li5SbS",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.9998651571428572,
"spacegroup": 15
},
{
"id": "jvasp-94182",
"created_at": "2022-09-04T14:35:45.487063Z",
"updated_at": "2022-09-04T14:35:45.487093Z",
"structure_string": "Mg6 Si1 Ni1\n1.0\n6.135792 0.030955 0.000000\n-3.041088 5.329228 0.000000\n0.000000 0.000000 4.624007\nMg Si Ni\n6 1 1\ndirect\n0.166099 0.852182 0.250000 Mg\n0.647818 0.333901 0.250000 Mg\n0.662679 0.837322 0.250000 Mg\n0.324766 0.642042 0.750001 Mg\n0.857958 0.175235 0.750001 Mg\n0.832268 0.667733 0.750001 Mg\n0.317441 0.182559 0.750001 Si\n0.190970 0.309030 0.250000 Ni\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Si",
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],
"chemical_system": "Mg-Ni-Si",
"density": 2.547261449984299,
"density_atomic": 0.05275797103078451,
"volume": 151.63585414101624,
"volume_molar": 11.414655723750359,
"formula_full": "Mg6 Si1 Ni1",
"formula_reduced": "Mg6SiNi",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-110864",
"created_at": "2022-09-04T14:38:37.301610Z",
"updated_at": "2022-09-04T14:38:37.301637Z",
"structure_string": "Sr6 Ca2\n1.0\n8.221964 0.000000 0.000000\n-4.110982 7.120429 0.000000\n-0.000000 -0.000000 6.745340\nSr Ca\n6 2\ndirect\n0.168217 0.336435 0.250000 Sr\n0.663565 0.831783 0.250000 Sr\n0.168218 0.831783 0.250000 Sr\n0.831782 0.663565 0.750000 Sr\n0.336435 0.168217 0.750000 Sr\n0.831782 0.168217 0.750000 Sr\n0.333333 0.666667 0.750000 Ca\n0.666666 0.333333 0.250000 Ca\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"Ca"
],
"chemical_system": "Ca-Sr",
"density": 2.5476940368018046,
"density_atomic": 0.02025836588124983,
"volume": 394.898583967447,
"volume_molar": 29.726685732208065,
"formula_full": "Sr6 Ca2",
"formula_reduced": "Sr3Ca",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0007925,
"spacegroup": 194
},
{
"id": "jvasp-113723",
"created_at": "2022-09-04T14:38:48.757214Z",
"updated_at": "2022-09-04T14:38:48.757232Z",
"structure_string": "Ta1 Sb1 O1\n1.0\n6.604132 -0.000000 0.000000\n-0.000000 6.604132 0.000000\n0.000000 0.000000 4.762595\nTa Sb O\n1 1 1\ndirect\n-0.097503 -0.043088 0.000000 Ta\n-0.003453 0.356979 0.000000 Sb\n0.316015 -0.004749 0.000000 O\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "O-Sb-Ta",
"density": 2.5478035556780707,
"density_atomic": 0.01444262425987646,
"volume": 207.7184828753318,
"volume_molar": 41.696998077629914,
"formula_full": "Ta1 Sb1 O1",
"formula_reduced": "TaSbO",
"formula_anonymous": "ABC",
"energy_above_hull": 4.051566266666667,
"spacegroup": 6
},
{
"id": "jvasp-5446",
"created_at": "2022-09-04T14:38:03.665880Z",
"updated_at": "2022-09-04T14:38:03.665907Z",
"structure_string": "Sb2 S16 Cl6\n1.0\n8.067086 -0.153858 0.024194\n-3.052966 7.976211 0.175391\n-3.261653 -2.143705 9.827920\nSb S Cl\n2 16 6\ndirect\n0.811920 0.076941 0.845582 Sb\n0.188080 0.923058 0.154417 Sb\n0.161734 0.236182 0.649668 S\n0.838266 0.763817 0.350332 S\n0.348226 0.490025 0.740962 S\n0.651774 0.509974 0.259038 S\n0.288951 0.549401 0.909669 S\n0.711049 0.450598 0.090331 S\n0.885477 0.319471 0.140594 S\n0.114523 0.680528 0.859406 S\n0.936526 0.235562 0.490840 S\n0.291449 0.802779 0.443634 S\n0.708551 0.197220 0.556366 S\n0.299312 0.568976 0.389480 S\n0.700688 0.431023 0.610520 S\n0.166711 0.493591 0.182267 S\n0.833289 0.506408 0.817733 S\n0.063474 0.764437 0.509160 S\n0.756280 0.846627 0.670866 Cl\n0.484023 0.038892 0.792723 Cl\n0.515977 0.961107 0.207277 Cl\n0.772770 0.880086 0.006740 Cl\n0.227230 0.119913 -0.006740 Cl\n0.243720 0.153372 0.329133 Cl\n",
"nsites": 24,
"nelements": 3,
"elements": [
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"S",
"Cl"
],
"chemical_system": "Cl-S-Sb",
"density": 2.5480543263995,
"density_atomic": 0.0379946520763065,
"volume": 631.6678450377606,
"volume_molar": 15.849969484930257,
"formula_full": "Sb2 S16 Cl6",
"formula_reduced": "SbS8Cl3",
"formula_anonymous": "AB3C8",
"energy_above_hull": 1.709259858541667,
"spacegroup": 2
}
]
}