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=3792",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=3790",
"results": [
{
"id": "jvasp-47067",
"created_at": "2022-09-04T14:38:06.576860Z",
"updated_at": "2022-09-04T14:38:06.576878Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n4.385341 0.000000 0.000000\n-0.000000 4.807796 0.000000\n0.000000 0.000000 14.252796\nLi Mn P O\n4 4 4 16\ndirect\n0.000000 0.250000 0.248329 Li\n0.000000 0.750001 0.751671 Li\n0.500000 0.750001 0.251671 Li\n0.500000 0.250000 0.748329 Li\n0.000000 0.750001 0.073779 Mn\n0.000000 0.250000 0.926221 Mn\n0.500000 0.750001 0.573779 Mn\n0.500000 0.250000 0.426221 Mn\n0.500000 0.250000 0.114544 P\n0.500000 0.750001 0.885456 P\n0.000000 0.250000 0.614544 P\n0.000000 0.750001 0.385456 P\n0.265652 0.588817 0.945867 O\n0.265652 0.088816 0.054133 O\n0.234348 0.588817 0.445867 O\n0.234348 0.088816 0.554133 O\n0.315600 0.961543 0.824572 O\n0.315600 0.461543 0.175429 O\n0.684399 0.538458 0.824572 O\n0.815600 0.038458 0.675429 O\n0.765652 0.411184 0.554133 O\n0.765652 0.911185 0.445867 O\n0.734347 0.911185 0.945867 O\n0.734347 0.411184 0.054133 O\n0.184399 0.961543 0.324571 O\n0.815600 0.538458 0.324571 O\n0.684399 0.038458 0.175429 O\n0.184399 0.461543 0.675429 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.466931560371167,
"density_atomic": 0.0931769651598016,
"volume": 300.50345546218495,
"volume_molar": 6.463121813070244,
"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.5494038201970444,
"spacegroup": 60
},
{
"id": "jvasp-97842",
"created_at": "2022-09-04T14:35:58.711935Z",
"updated_at": "2022-09-04T14:35:58.711959Z",
"structure_string": "Sr1 V2 P4 O14\n1.0\n4.812940 0.040190 0.182164\n2.094967 6.854603 0.005715\n-0.026599 0.002216 7.821208\nSr V P O\n1 2 4 14\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.000000 V\n-0.000000 0.000000 0.500000 V\n0.618124 0.769524 0.299719 P\n0.381876 0.230476 0.700281 P\n0.042648 0.378675 0.245323 P\n0.957352 0.621326 0.754678 P\n0.814204 0.552312 0.351423 O\n0.619053 0.182834 0.561557 O\n0.380947 0.817167 0.438444 O\n0.099383 0.190615 0.343722 O\n0.492794 0.238113 0.883527 O\n0.507207 0.761888 0.116473 O\n0.185796 0.447688 0.648578 O\n0.893316 0.352875 0.078078 O\n0.106684 0.647125 0.921922 O\n0.680373 0.565234 0.788691 O\n0.319628 0.434766 0.211310 O\n0.900617 0.809385 0.656279 O\n0.817987 0.902330 0.294446 O\n0.182013 0.097671 0.705554 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Sr",
"V",
"P",
"O"
],
"chemical_system": "O-P-Sr-V",
"density": 3.4667636970835964,
"density_atomic": 0.08158402754102062,
"volume": 257.4033255399307,
"volume_molar": 7.381519326159836,
"formula_full": "Sr1 V2 P4 O14",
"formula_reduced": "SrV2(P2O7)2",
"formula_anonymous": "AB2C4D14",
"energy_above_hull": 3.1286202719047616,
"spacegroup": 2
},
{
"id": "jvasp-120339",
"created_at": "2022-09-04T14:38:53.734270Z",
"updated_at": "2022-09-04T14:38:53.734287Z",
"structure_string": "Mg1 Se2\n1.0\n4.164604 0.000000 0.009426\n0.000000 3.793853 0.000000\n-0.014372 0.000000 5.524954\nMg Se\n1 2\ndirect\n0.466672 0.000000 0.133322 Mg\n-0.033424 0.000000 -0.137479 Se\n-0.033248 0.000000 0.404157 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"Se"
],
"chemical_system": "Mg-Se",
"density": 3.4663436948092023,
"density_atomic": 0.034366540803775644,
"volume": 87.29420913001545,
"volume_molar": 17.52326716379434,
"formula_full": "Mg1 Se2",
"formula_reduced": "MgSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7578444555555555,
"spacegroup": 47
},
{
"id": "jvasp-10190",
"created_at": "2022-09-04T14:37:11.095679Z",
"updated_at": "2022-09-04T14:37:11.095698Z",
"structure_string": "Sr6 P6\n1.0\n4.034277 -6.987572 -0.000000\n4.034277 6.987572 -0.000000\n0.000000 0.000000 6.046066\nSr P\n6 6\ndirect\n0.359544 0.000000 0.500000 Sr\n0.640457 0.640457 0.500000 Sr\n0.000000 0.359544 0.500000 Sr\n0.694410 0.000000 0.000000 Sr\n0.305590 0.305590 0.000000 Sr\n0.000000 0.694410 0.000000 Sr\n0.666667 0.333333 0.805556 P\n0.666667 0.333333 0.194445 P\n0.333333 0.666667 0.194445 P\n0.333333 0.666667 0.805556 P\n0.000000 0.000000 0.311455 P\n0.000000 0.000000 0.688546 P\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Sr",
"P"
],
"chemical_system": "P-Sr",
"density": 3.46630923471347,
"density_atomic": 0.0352035415426761,
"volume": 340.87479481156157,
"volume_molar": 17.10663329909451,
"formula_full": "Sr6 P6",
"formula_reduced": "SrP",
"formula_anonymous": "AB",
"energy_above_hull": 0.2135459049999999,
"spacegroup": 189
},
{
"id": "jvasp-21165",
"created_at": "2022-09-04T14:37:57.510169Z",
"updated_at": "2022-09-04T14:37:57.510189Z",
"structure_string": "Al8 Si4 O16 F8\n1.0\n4.691499 0.000000 0.000000\n-0.000000 8.467216 0.000000\n0.000000 0.000000 8.878159\nAl Si O F\n8 4 16 8\ndirect\n0.096826 0.916951 0.130336 Al\n0.596827 0.083050 0.369665 Al\n0.903174 0.416951 0.869665 Al\n0.403174 0.583050 0.630336 Al\n0.596827 0.416951 0.369665 Al\n0.096826 0.583050 0.130336 Al\n0.403174 0.916951 0.630336 Al\n0.903174 0.083050 0.869665 Al\n0.897695 0.750000 0.439931 Si\n0.397695 0.250000 0.060069 Si\n0.102305 0.250000 0.560069 Si\n0.602305 0.750000 0.939931 Si\n0.295126 0.750000 0.031366 O\n0.795126 0.250000 0.468634 O\n0.704874 0.250000 0.968634 O\n0.204874 0.750000 0.531366 O\n0.789195 0.908063 0.989255 O\n0.289195 0.091938 0.510745 O\n0.210805 0.408063 0.010745 O\n0.710805 0.591938 0.489255 O\n0.289195 0.408063 0.510745 O\n0.041978 0.250000 0.744594 O\n0.958022 0.750000 0.255407 O\n0.210805 0.091938 0.010745 O\n0.710805 0.908063 0.489255 O\n0.789195 0.591938 0.989255 O\n0.458022 0.250000 0.244594 O\n0.541978 0.750000 0.755407 O\n0.096035 0.557673 0.752158 F\n0.096035 0.942328 0.752158 F\n0.596035 0.057672 0.747842 F\n0.596035 0.442328 0.747842 F\n0.403965 0.557673 0.252158 F\n0.903965 0.057672 0.247842 F\n0.403965 0.942328 0.252158 F\n0.903965 0.442328 0.247842 F\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Al",
"Si",
"O",
"F"
],
"chemical_system": "Al-F-O-Si",
"density": 3.46619641274526,
"density_atomic": 0.10207686306991243,
"volume": 352.67541455837653,
"volume_molar": 5.899613858505268,
"formula_full": "Al8 Si4 O16 F8",
"formula_reduced": "Al2Si(O2F)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 1.710690973888889,
"spacegroup": 62
},
{
"id": "jvasp-96816",
"created_at": "2022-09-04T14:36:15.494047Z",
"updated_at": "2022-09-04T14:36:15.494080Z",
"structure_string": "Na3 Nd3 H6 S6 O27\n1.0\n6.972492 -0.000000 -0.000000\n-3.486246 6.038355 0.000000\n0.000000 0.000000 12.884591\nNa Nd H S O\n3 3 6 6 27\ndirect\n0.529221 0.529222 0.500000 Na\n0.470778 0.000000 0.833333 Na\n-0.000000 0.470779 0.166667 Na\n0.432926 0.000000 0.333333 Nd\n-0.000000 0.432927 0.666667 Nd\n0.567073 0.567074 0.000000 Nd\n0.043571 0.099855 0.372311 H\n0.099855 0.043571 0.627689 H\n0.943716 0.900146 0.294355 H\n0.956429 0.056284 0.961022 H\n0.900145 0.943717 0.705645 H\n0.056284 0.956430 0.038978 H\n0.545269 0.558283 0.244336 S\n0.441717 0.986987 0.577669 S\n0.013013 0.454731 0.911003 S\n0.986986 0.441717 0.422331 S\n0.558283 0.545270 0.755663 S\n0.454730 0.013013 0.088997 S\n0.388507 0.130048 0.511413 O\n0.869952 0.258460 0.844747 O\n0.167550 0.409401 0.970629 O\n0.241850 0.832450 0.637296 O\n0.132925 0.643385 0.838235 O\n0.643384 0.132925 0.161765 O\n0.121104 0.617886 0.346938 O\n0.617885 0.121105 0.653061 O\n0.510459 0.867076 0.504901 O\n0.832449 0.241850 0.362704 O\n0.496780 0.878896 0.013606 O\n0.758150 0.590600 0.696038 O\n0.077781 0.000000 0.333333 O\n0.590599 0.758151 0.303962 O\n0.356616 0.489541 0.171568 O\n0.867075 0.510459 0.495099 O\n0.503219 0.382115 0.319727 O\n0.382115 0.503220 0.680272 O\n0.409400 0.167551 0.029371 O\n0.130048 0.388508 0.488587 O\n0.878895 0.496781 0.986394 O\n0.922219 0.922220 0.000000 O\n0.611492 0.741541 0.821920 O\n-0.000000 0.077781 0.666667 O\n0.489541 0.356616 0.828432 O\n0.741540 0.611493 0.178080 O\n0.258459 0.869953 0.155253 O\n",
"nsites": 45,
"nelements": 5,
"elements": [
"Na",
"Nd",
"H",
"S",
"O"
],
"chemical_system": "H-Na-Nd-O-S",
"density": 3.465476904230123,
"density_atomic": 0.08295359461976597,
"volume": 542.4719713023445,
"volume_molar": 7.259650154527554,
"formula_full": "Na3 Nd3 H6 S6 O27",
"formula_reduced": "NaNdH2S2O9",
"formula_anonymous": "ABC2D2E9",
"energy_above_hull": 2.4849481333333334,
"spacegroup": 152
},
{
"id": "jvasp-115533",
"created_at": "2022-09-04T14:38:46.085868Z",
"updated_at": "2022-09-04T14:38:46.085897Z",
"structure_string": "Ba1 Ga1 Br1\n1.0\n5.995717 1.819860 0.000000\n1.919903 6.564502 0.000000\n0.000000 0.000000 3.833824\nBa Ga Br\n1 1 1\ndirect\n-0.025714 -0.045004 0.000000 Ba\n-0.027801 0.456054 0.000000 Ga\n0.472664 -0.042196 0.000000 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"Br"
],
"chemical_system": "Ba-Br-Ga",
"density": 3.465445562951393,
"density_atomic": 0.02181820185474614,
"volume": 137.4998737280179,
"volume_molar": 27.60145313574499,
"formula_full": "Ba1 Ga1 Br1",
"formula_reduced": "BaGaBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0304566666666666,
"spacegroup": 10
},
{
"id": "jvasp-23824",
"created_at": "2022-09-04T14:37:34.061334Z",
"updated_at": "2022-09-04T14:37:34.061346Z",
"structure_string": "Sc12 P8\n1.0\n3.780542 -0.000000 0.000000\n-0.000000 6.938226 0.000000\n0.000000 0.000000 14.383788\nSc P\n12 8\ndirect\n0.750000 0.135412 0.932434 Sc\n0.750000 0.993041 0.395307 Sc\n0.250000 0.006960 0.604693 Sc\n0.250000 0.506960 0.895307 Sc\n0.750000 0.840229 0.777641 Sc\n0.250000 0.159771 0.222360 Sc\n0.750000 0.493041 0.104693 Sc\n0.250000 0.659772 0.277641 Sc\n0.250000 0.364589 0.432434 Sc\n0.750000 0.635412 0.567567 Sc\n0.250000 0.864589 0.067566 Sc\n0.750000 0.340229 0.722360 Sc\n0.250000 0.130303 0.794700 P\n0.250000 0.758938 0.457417 P\n0.750000 0.241062 0.542583 P\n0.250000 0.258938 0.042583 P\n0.750000 0.741063 0.957417 P\n0.250000 0.630303 0.705301 P\n0.750000 0.369697 0.294700 P\n0.750000 0.869698 0.205300 P\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Sc",
"P"
],
"chemical_system": "P-Sc",
"density": 3.4649109244638683,
"density_atomic": 0.0530095616447476,
"volume": 377.29042420749164,
"volume_molar": 11.360480209888133,
"formula_full": "Sc12 P8",
"formula_reduced": "Sc3P2",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.66061335,
"spacegroup": 62
},
{
"id": "jvasp-38303",
"created_at": "2022-09-04T14:37:54.622167Z",
"updated_at": "2022-09-04T14:37:54.622188Z",
"structure_string": "Rb1 Na2 Sb1\n1.0\n-0.000000 3.929580 3.929580\n3.929580 -0.000000 3.929580\n3.929580 3.929580 -0.000000\nRb Na Sb\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.750000 0.750000 0.750000 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Rb",
"Na",
"Sb"
],
"chemical_system": "Na-Rb-Sb",
"density": 3.4646309924620877,
"density_atomic": 0.03296033305185026,
"volume": 121.35799701136382,
"volume_molar": 18.270873508852308,
"formula_full": "Rb1 Na2 Sb1",
"formula_reduced": "RbNa2Sb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0049924999999999,
"spacegroup": 225
},
{
"id": "jvasp-32178",
"created_at": "2022-09-04T14:37:36.904551Z",
"updated_at": "2022-09-04T14:37:36.904577Z",
"structure_string": "H16 Pt2 N4 Cl4 O4\n1.0\n5.750514 0.000000 -1.674774\n0.000000 6.765941 0.000000\n0.027520 0.000000 8.222376\nH Pt N Cl O\n16 2 4 4 4\ndirect\n0.646873 0.258430 0.441552 H\n0.812276 0.616784 0.718650 H\n0.812276 0.883215 0.218650 H\n0.187723 0.383215 0.281351 H\n0.877332 0.347550 0.080847 H\n0.122667 0.847550 0.419153 H\n0.122667 0.652450 0.919154 H\n0.877332 0.152450 0.580848 H\n0.187723 0.116785 0.781351 H\n0.141290 0.846531 0.630135 H\n0.141290 0.653469 0.130134 H\n0.858710 0.153469 0.369866 H\n0.646873 0.241570 0.941552 H\n0.353126 0.741570 0.558449 H\n0.858710 0.346531 0.869866 H\n0.353126 0.758429 0.058449 H\n0.000000 0.000000 0.000000 Pt\n0.000000 0.500000 0.500000 Pt\n0.177099 0.733986 0.031523 N\n0.177099 0.766014 0.531523 N\n0.822900 0.233986 0.468477 N\n0.822900 0.266014 0.968478 N\n0.349749 0.334455 0.621287 Cl\n0.650250 0.834455 0.878714 Cl\n0.650250 0.665544 0.378714 Cl\n0.349749 0.165545 0.121287 Cl\n0.055368 0.473937 0.267872 O\n0.944632 0.973937 0.232129 O\n0.944632 0.526062 0.732129 O\n0.055368 0.026062 0.767872 O\n",
"nsites": 30,
"nelements": 5,
"elements": [
"H",
"Pt",
"N",
"Cl",
"O"
],
"chemical_system": "Cl-H-N-O-Pt",
"density": 3.464620513129578,
"density_atomic": 0.0936841069053421,
"volume": 320.22507329137306,
"volume_molar": 6.428134887473218,
"formula_full": "H16 Pt2 N4 Cl4 O4",
"formula_reduced": "H8PtN2(ClO)2",
"formula_anonymous": "AB2C2D2E8",
"energy_above_hull": 3.1506182023333333,
"spacegroup": 14
},
{
"id": "jvasp-34691",
"created_at": "2022-09-04T14:38:13.914513Z",
"updated_at": "2022-09-04T14:38:13.914532Z",
"structure_string": "K4 Re2 Cl10 O1\n1.0\n6.560648 0.000000 -2.430390\n-0.900337 6.498577 -2.430390\n0.011255 0.012921 10.100557\nK Re Cl O\n4 2 10 1\ndirect\n-0.000000 0.500000 0.000000 K\n0.750000 0.250000 0.500000 K\n0.249999 0.750000 0.500000 K\n0.500000 -0.000000 0.000000 K\n0.105263 0.105263 0.210527 Re\n0.894736 0.894737 0.789473 Re\n0.644907 0.644908 0.775195 Cl\n0.758079 0.758079 0.516157 Cl\n0.355092 0.355092 0.224806 Cl\n0.355092 0.869714 0.224806 Cl\n0.130286 0.644908 0.775195 Cl\n0.869713 0.869714 0.224806 Cl\n0.869713 0.355092 0.224806 Cl\n0.241921 0.241921 0.483843 Cl\n0.644908 0.130286 0.775195 Cl\n0.130286 0.130286 0.775194 Cl\n0.000000 0.000000 0.000000 O\n",
"nsites": 17,
"nelements": 4,
"elements": [
"K",
"Re",
"Cl",
"O"
],
"chemical_system": "Cl-K-O-Re",
"density": 3.4645407460698925,
"density_atomic": 0.03943875794997931,
"volume": 431.04805738459925,
"volume_molar": 15.269600446438906,
"formula_full": "K4 Re2 Cl10 O1",
"formula_reduced": "K4Re2Cl10O",
"formula_anonymous": "AB2C4D10",
"energy_above_hull": 0.9154930691176468,
"spacegroup": 139
},
{
"id": "jvasp-66673",
"created_at": "2022-09-04T14:35:44.355964Z",
"updated_at": "2022-09-04T14:35:44.355993Z",
"structure_string": "Ba1 Li1 In1\n1.0\n-0.000000 3.959945 3.959945\n3.959945 -0.000000 3.959945\n3.959945 3.959945 -0.000000\nBa Li In\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.499999 0.499999 0.499999 Li\n0.000000 0.000000 0.000000 In\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Li",
"In"
],
"chemical_system": "Ba-In-Li",
"density": 3.4641412003014054,
"density_atomic": 0.02415593192369297,
"volume": 124.19309714387366,
"volume_molar": 24.930277080692036,
"formula_full": "Ba1 Li1 In1",
"formula_reduced": "BaLiIn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0593186466666666,
"spacegroup": 216
}
]
}