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=4457",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=4455",
"results": [
{
"id": "jvasp-98496",
"created_at": "2022-09-04T14:35:48.159123Z",
"updated_at": "2022-09-04T14:35:48.159151Z",
"structure_string": "Li12 P28\n1.0\n7.610941 0.000000 0.000000\n0.000000 9.803212 0.000000\n0.000000 0.000000 10.466302\nLi P\n12 28\ndirect\n0.848290 0.307638 0.815695 Li\n0.095064 0.698199 0.193299 Li\n0.595064 0.801800 0.806701 Li\n0.904936 0.198199 0.306701 Li\n0.932808 0.973780 0.513196 Li\n0.432808 0.526220 0.486804 Li\n0.404936 0.301800 0.693299 Li\n0.567192 0.026220 0.013196 Li\n0.651710 0.692362 0.315695 Li\n0.151710 0.807638 0.684305 Li\n0.348290 0.192362 0.184305 Li\n0.067192 0.473780 0.986804 Li\n0.684225 0.426953 0.618456 P\n0.092145 0.863274 0.996162 P\n0.315775 0.926953 0.881544 P\n0.815775 0.573047 0.118456 P\n0.184225 0.073047 0.381544 P\n0.463005 0.427866 0.267882 P\n0.625596 0.280581 0.001998 P\n0.874404 0.719419 0.501998 P\n0.374404 0.780581 0.498002 P\n0.963005 0.072133 0.732118 P\n0.592145 0.636726 0.003838 P\n0.125596 0.219419 0.998002 P\n0.907854 0.363274 0.503838 P\n0.858395 0.950238 0.886956 P\n0.962640 0.055746 0.069312 P\n0.462640 0.444253 0.930688 P\n0.037360 0.555746 0.430688 P\n0.537360 0.944253 0.569312 P\n0.036995 0.572133 0.767882 P\n0.358395 0.549762 0.113043 P\n0.141605 0.450238 0.613043 P\n0.641605 0.049762 0.386957 P\n0.218059 0.126593 0.818433 P\n0.718059 0.373407 0.181567 P\n0.781941 0.626592 0.681567 P\n0.281941 0.873407 0.318433 P\n0.407855 0.136726 0.496162 P\n0.536995 0.927866 0.232118 P\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Li",
"P"
],
"chemical_system": "Li-P",
"density": 2.021284303800132,
"density_atomic": 0.05122240663100636,
"volume": 780.9082515031005,
"volume_molar": 11.756848527992883,
"formula_full": "Li12 P28",
"formula_reduced": "Li3P7",
"formula_anonymous": "A3B7",
"energy_above_hull": 2.70289385,
"spacegroup": 19
},
{
"id": "jvasp-93091",
"created_at": "2022-09-04T14:35:56.311122Z",
"updated_at": "2022-09-04T14:35:56.311147Z",
"structure_string": "Mg6 Si1 B1\n1.0\n6.163209 0.921959 0.000000\n-2.283165 5.798474 0.000000\n0.000000 0.000000 4.011434\nMg Si B\n6 1 1\ndirect\n0.186769 0.941767 0.250000 Mg\n0.558233 0.313231 0.250000 Mg\n0.629606 0.870394 0.250000 Mg\n0.336241 0.600470 0.749999 Mg\n0.899530 0.163759 0.749999 Mg\n0.856011 0.643989 0.749999 Mg\n0.048614 0.451386 0.250000 Si\n0.485002 0.014998 0.749999 B\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Si",
"B"
],
"chemical_system": "B-Mg-Si",
"density": 2.0207024455462412,
"density_atomic": 0.052700417386183494,
"volume": 151.8014542726822,
"volume_molar": 11.427121565034946,
"formula_full": "Mg6 Si1 B1",
"formula_reduced": "Mg6SiB",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.3833856854166666,
"spacegroup": 38
},
{
"id": "jvasp-93064",
"created_at": "2022-09-04T14:36:08.199455Z",
"updated_at": "2022-09-04T14:36:08.199472Z",
"structure_string": "Na1 Mg6 Cr1\n1.0\n6.378308 0.016322 0.000000\n-3.175018 5.531937 0.000000\n0.000000 0.000000 5.135213\nNa Mg Cr\n1 6 1\ndirect\n0.165805 0.334195 0.250000 Na\n0.171160 0.848279 0.250000 Mg\n0.651721 0.328840 0.250000 Mg\n0.665225 0.834775 0.250000 Mg\n0.336695 0.669451 0.750000 Mg\n0.830549 0.163305 0.750000 Mg\n0.835667 0.664333 0.750000 Mg\n0.343178 0.156822 0.750000 Cr\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Cr"
],
"chemical_system": "Cr-Mg-Na",
"density": 2.020695240149943,
"density_atomic": 0.044087089259041604,
"volume": 181.4590197369249,
"volume_molar": 13.659646987842248,
"formula_full": "Na1 Mg6 Cr1",
"formula_reduced": "NaMg6Cr",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0004762500000007,
"spacegroup": 38
},
{
"id": "jvasp-12956",
"created_at": "2022-09-04T14:37:01.319793Z",
"updated_at": "2022-09-04T14:37:01.319822Z",
"structure_string": "Na4 C2 S6\n1.0\n5.704082 0.005855 1.517892\n2.217921 5.255227 1.517892\n-0.026136 -0.017358 8.447454\nNa C S\n4 2 6\ndirect\n0.434710 0.829240 0.390048 Na\n0.170761 0.565289 0.109951 Na\n0.829238 0.434712 0.890048 Na\n0.565288 0.170761 0.609951 Na\n0.915740 0.084260 0.250000 C\n0.084258 0.915741 0.749999 C\n0.641867 0.358133 0.250000 S\n0.358131 0.641868 0.749999 S\n0.921333 0.813957 0.390393 S\n0.186044 0.078666 0.109607 S\n0.078665 0.186044 0.609606 S\n0.813954 0.921335 0.890393 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Na",
"C",
"S"
],
"chemical_system": "C-Na-S",
"density": 2.020655976357717,
"density_atomic": 0.047353461985135334,
"volume": 253.41336191569067,
"volume_molar": 12.717424466009273,
"formula_full": "Na4 C2 S6",
"formula_reduced": "Na2CS3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.809961333333333,
"spacegroup": 15
},
{
"id": "jvasp-38513",
"created_at": "2022-09-04T14:37:54.761075Z",
"updated_at": "2022-09-04T14:37:54.761103Z",
"structure_string": "K6 Sm2\n1.0\n4.250679 -7.362394 -0.000000\n4.250679 7.362394 -0.000000\n-0.000000 -0.000000 7.028518\nK Sm\n6 2\ndirect\n0.828696 0.171304 0.250000 K\n0.828696 0.657392 0.250000 K\n0.342608 0.171304 0.250000 K\n0.171304 0.828696 0.750000 K\n0.171304 0.342608 0.750000 K\n0.657392 0.828696 0.750000 K\n0.666667 0.333333 0.750000 Sm\n0.333333 0.666667 0.250000 Sm\n",
"nsites": 8,
"nelements": 2,
"elements": [
"K",
"Sm"
],
"chemical_system": "K-Sm",
"density": 2.020613126788762,
"density_atomic": 0.018185232813194598,
"volume": 439.91738143684734,
"volume_molar": 33.115554922291324,
"formula_full": "K6 Sm2",
"formula_reduced": "K3Sm",
"formula_anonymous": "AB3",
"energy_above_hull": 0.001005,
"spacegroup": 194
},
{
"id": "jvasp-93838",
"created_at": "2022-09-04T14:36:00.562161Z",
"updated_at": "2022-09-04T14:36:00.562189Z",
"structure_string": "K4 Zr2\n1.0\n-3.228816 -5.595699 -0.000000\n-3.228816 5.595699 0.000000\n0.000000 0.000000 -7.708639\nK Zr\n4 2\ndirect\n0.333910 0.666091 0.750000 K\n0.666091 0.333910 0.250000 K\n0.000000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.667368 0.332633 0.750000 Zr\n0.332633 0.667368 0.250000 Zr\n",
"nsites": 6,
"nelements": 2,
"elements": [
"K",
"Zr"
],
"chemical_system": "K-Zr",
"density": 2.0199469477107863,
"density_atomic": 0.021540010219035597,
"volume": 278.55139988269866,
"volume_molar": 27.957928983144313,
"formula_full": "K4 Zr2",
"formula_reduced": "K2Zr",
"formula_anonymous": "AB2",
"energy_above_hull": 1.1470601666666669,
"spacegroup": 194
},
{
"id": "jvasp-121236",
"created_at": "2022-09-04T14:38:53.493784Z",
"updated_at": "2022-09-04T14:38:53.493811Z",
"structure_string": "Al3 P1\n1.0\n5.937286 -0.301377 0.118893\n-1.791369 -3.816893 0.563183\n-2.530767 3.012661 -4.458913\nAl P\n3 1\ndirect\n0.040399 0.193997 -0.003426 Al\n0.481360 0.194213 0.437444 Al\n0.409675 0.782848 0.656806 Al\n0.082802 0.577257 0.778397 P\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"P"
],
"chemical_system": "Al-P",
"density": 2.0195947277976867,
"density_atomic": 0.04346840607317873,
"volume": 92.02085747671609,
"volume_molar": 13.854063914517068,
"formula_full": "Al3 P1",
"formula_reduced": "Al3P",
"formula_anonymous": "AB3",
"energy_above_hull": null,
"spacegroup": 8
},
{
"id": "jvasp-102060",
"created_at": "2022-09-04T14:36:40.846315Z",
"updated_at": "2022-09-04T14:36:40.846333Z",
"structure_string": "K3 Sc1 Cl6\n1.0\n6.567533 -0.000000 3.791767\n2.189178 6.191929 3.791767\n-0.000000 -0.000000 7.583534\nK Sc Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Sc\n0.769381 0.230619 0.230619 Cl\n0.230619 0.230619 0.769381 Cl\n0.230619 0.769381 0.769381 Cl\n0.230619 0.769381 0.230619 Cl\n0.769381 0.230619 0.769381 Cl\n0.769381 0.769381 0.230619 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Sc",
"Cl"
],
"chemical_system": "Cl-K-Sc",
"density": 2.0190374501934016,
"density_atomic": 0.032426504124769766,
"volume": 308.3897037288475,
"volume_molar": 18.57166204789817,
"formula_full": "K3 Sc1 Cl6",
"formula_reduced": "K3ScCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-1145",
"created_at": "2022-09-04T14:37:19.674714Z",
"updated_at": "2022-09-04T14:37:19.674741Z",
"structure_string": "K1 Cl1\n1.0\n3.833237 0.000000 2.213120\n1.277746 3.614011 2.213120\n0.000000 0.000000 4.426242\nK Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500001 0.500000 0.499999 Cl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"K",
"Cl"
],
"chemical_system": "Cl-K",
"density": 2.0188963459467244,
"density_atomic": 0.032616675978399845,
"volume": 61.318326898930025,
"volume_molar": 18.463379787652546,
"formula_full": "K1 Cl1",
"formula_reduced": "KCl",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-121082",
"created_at": "2022-09-04T14:38:54.290526Z",
"updated_at": "2022-09-04T14:38:54.290553Z",
"structure_string": "H1 C1\n1.0\n3.663456 -0.329586 0.277177\n0.817867 -2.495632 0.093565\n-0.843312 1.209362 -1.285760\nH C\n1 1\ndirect\n0.079188 0.840311 0.038955 H\n0.432223 0.840433 0.393663 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 2.0183079460383717,
"density_atomic": 0.18672510419321695,
"volume": 10.710932569251462,
"volume_molar": 3.2251371801450377,
"formula_full": "H1 C1",
"formula_reduced": "HC",
"formula_anonymous": "AB",
"energy_above_hull": 3.567495,
"spacegroup": 25
},
{
"id": "jvasp-61405",
"created_at": "2022-09-04T14:36:13.218424Z",
"updated_at": "2022-09-04T14:36:13.218449Z",
"structure_string": "Ca4 Al8 Cl32\n1.0\n-5.667272 5.667272 9.674580\n5.667272 -5.667272 9.674580\n5.667272 5.667272 -9.674580\nCa Al Cl\n4 8 32\ndirect\n0.375000 0.625000 0.250000 Ca\n0.875000 0.125000 0.250000 Ca\n0.125000 0.875000 0.750000 Ca\n0.625000 0.375000 0.750000 Ca\n0.250000 0.774509 0.024509 Al\n0.750000 0.725491 0.475491 Al\n0.225491 0.250000 0.975491 Al\n0.774509 0.750000 0.024509 Al\n0.750000 0.225491 0.975491 Al\n0.250000 0.274509 0.524509 Al\n0.274509 0.750000 0.524509 Al\n0.725491 0.250000 0.475491 Al\n0.131515 0.099031 0.714416 Cl\n0.368485 0.582902 0.467516 Cl\n0.400969 0.368485 0.785583 Cl\n0.582901 0.115386 0.714416 Cl\n0.384614 0.917098 0.785583 Cl\n0.099031 0.384614 0.467516 Cl\n0.615385 0.082902 0.214416 Cl\n0.884614 0.599031 0.967516 Cl\n0.631515 0.417098 0.532484 Cl\n0.599031 0.631515 0.214416 Cl\n0.417098 0.884614 0.285584 Cl\n0.115386 0.400969 0.032484 Cl\n0.868485 0.900969 0.285584 Cl\n0.917098 0.131515 0.032484 Cl\n0.309301 0.751620 0.882495 Cl\n0.748380 0.190699 0.617505 Cl\n0.751620 0.869125 0.942318 Cl\n0.926806 0.309301 0.557681 Cl\n0.190699 0.573194 0.942318 Cl\n0.630875 0.748380 0.557681 Cl\n0.900969 0.615386 0.532484 Cl\n0.573194 0.630875 0.882495 Cl\n0.690699 0.248380 0.117505 Cl\n0.130875 0.073194 0.382495 Cl\n0.248380 0.130875 0.057681 Cl\n0.073194 0.690699 0.442319 Cl\n0.809301 0.426806 0.057681 Cl\n0.369125 0.251620 0.442319 Cl\n0.251620 0.809301 0.382495 Cl\n0.426806 0.369125 0.117505 Cl\n0.869125 0.926806 0.617505 Cl\n0.082902 0.868485 0.967516 Cl\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Ca",
"Al",
"Cl"
],
"chemical_system": "Al-Ca-Cl",
"density": 2.018253389514176,
"density_atomic": 0.03540074900449885,
"volume": 1242.9115551879518,
"volume_molar": 17.011337130846258,
"formula_full": "Ca4 Al8 Cl32",
"formula_reduced": "Ca(AlCl4)2",
"formula_anonymous": "AB2C8",
"energy_above_hull": 0.2423507781818182,
"spacegroup": 142
},
{
"id": "jvasp-103919",
"created_at": "2022-09-04T14:37:03.540404Z",
"updated_at": "2022-09-04T14:37:03.540436Z",
"structure_string": "Zn1 H10 C7 O4\n1.0\n3.894466 -0.249180 -0.520560\n-1.490020 4.498564 -0.001907\n-0.393737 0.143565 10.778183\nZn H C O\n1 10 7 4\ndirect\n0.156046 0.121790 0.186327 Zn\n0.440591 0.244354 0.553004 H\n0.374722 0.305380 0.788915 H\n0.833180 0.321954 0.839432 H\n0.071985 0.777161 0.707503 H\n0.614810 0.758085 0.656397 H\n0.573358 0.844550 0.879616 H\n0.019864 0.851149 0.932476 H\n0.704362 0.700805 0.426657 H\n0.160602 0.719157 0.484198 H\n0.889821 0.248876 0.610018 H\n0.827044 0.352036 0.353053 C\n0.869515 0.562636 0.462410 C\n0.733926 0.396253 0.578665 C\n0.779964 0.617204 0.686846 C\n0.667575 0.461247 0.807632 C\n0.727759 0.695951 0.911830 C\n0.605429 0.576943 0.034763 C\n0.717811 0.753113 0.132918 O\n0.081928 0.431143 0.286288 O\n0.537991 0.106048 0.330325 O\n0.373857 0.302588 0.034975 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 2.017378234023143,
"density_atomic": 0.11955426253169135,
"volume": 184.01686007780992,
"volume_molar": 5.037161061826346,
"formula_full": "Zn1 H10 C7 O4",
"formula_reduced": "ZnH10C7O4",
"formula_anonymous": "AB4C7D10",
"energy_above_hull": 4.367014745454545,
"spacegroup": 1
}
]
}