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=-volume&page=923",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=921",
"results": [
{
"id": "jvasp-59219",
"created_at": "2022-09-04T14:38:35.046865Z",
"updated_at": "2022-09-04T14:38:35.046890Z",
"structure_string": "Li2 V2 P4 O14\n1.0\n5.036518 0.018376 0.019147\n0.306683 6.715258 0.008112\n0.399104 2.978088 7.617257\nLi V P O\n2 2 4 14\ndirect\n0.280323 0.819514 -0.003796 Li\n0.790361 0.184794 0.435432 Li\n0.240135 0.219068 0.727376 V\n0.758881 0.796679 0.273071 V\n0.233661 0.115195 0.172892 P\n0.285960 0.459265 0.305300 P\n0.715182 0.541445 0.691211 P\n0.766484 0.890237 0.829129 P\n0.825095 0.707025 0.520320 O\n0.700253 0.657474 0.832283 O\n0.945625 0.073520 0.246468 O\n0.592095 0.055958 0.691674 O\n0.576667 0.496981 0.327442 O\n0.430718 0.479908 0.681681 O\n0.151660 0.297224 0.469387 O\n0.268745 0.113798 0.988242 O\n0.290588 0.356636 0.154201 O\n0.901209 0.348297 0.768039 O\n0.120159 0.666134 0.222044 O\n0.435292 0.966510 0.296811 O\n0.064083 0.926213 0.786381 O\n0.683613 0.862153 0.018315 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 2.9907749458209905,
"density_atomic": 0.08546051574730304,
"volume": 257.42882321294996,
"volume_molar": 7.046693677588819,
"formula_full": "Li2 V2 P4 O14",
"formula_reduced": "LiVP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.853054518181818,
"spacegroup": 1
},
{
"id": "jvasp-47960",
"created_at": "2022-09-04T14:37:12.167943Z",
"updated_at": "2022-09-04T14:37:12.167959Z",
"structure_string": "Mn8 O8 F8\n1.0\n4.503882 -0.026666 0.004969\n0.136611 5.607530 -0.031678\n0.182629 0.054101 10.191078\nMn O F\n8 8 8\ndirect\n0.997106 0.843403 0.388752 Mn\n0.003421 0.146313 0.630244 Mn\n0.036558 0.829148 0.889417 Mn\n0.018828 0.154932 0.138811 Mn\n0.513373 0.653679 0.117609 Mn\n0.502417 0.650069 0.615281 Mn\n0.534903 0.383591 0.861854 Mn\n0.502550 0.344551 0.360192 Mn\n0.712784 0.379722 0.201348 O\n0.708758 0.607800 0.449062 O\n0.741871 0.389907 0.702405 O\n0.738144 0.620610 0.957956 O\n0.292553 0.616078 0.785010 O\n0.215944 0.114613 0.301282 O\n0.230665 0.886377 0.048874 O\n0.208178 0.875789 0.547221 O\n0.263316 0.117615 0.797764 F\n0.246704 0.374935 0.524248 F\n0.233966 0.616154 0.269902 F\n0.266367 0.380508 0.019570 F\n0.780121 0.889306 0.729539 F\n0.776607 0.134630 0.958881 F\n0.749651 0.884264 0.228113 F\n0.725211 0.105993 0.476669 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.641151946667573,
"density_atomic": 0.09323202331583375,
"volume": 257.42227988228206,
"volume_molar": 6.459305017546745,
"formula_full": "Mn8 O8 F8",
"formula_reduced": "MnOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.2289403412931037,
"spacegroup": 1
},
{
"id": "jvasp-13346",
"created_at": "2022-09-04T14:36:56.507293Z",
"updated_at": "2022-09-04T14:36:56.507325Z",
"structure_string": "K6 Fe2 O5\n1.0\n6.616853 0.008689 0.014416\n-0.294173 6.590228 0.080667\n-0.294173 -3.006554 5.865001\nK Fe O\n6 2 5\ndirect\n0.990020 0.199433 0.795484 K\n0.174915 0.361215 0.361215 K\n0.499441 0.759265 0.248792 K\n0.499441 0.248792 0.759264 K\n0.835804 0.639921 0.639921 K\n0.990020 0.795484 0.199433 K\n0.336246 0.794491 0.794490 Fe\n0.689011 0.190014 0.190014 Fe\n0.217547 0.843135 0.562504 O\n0.217547 0.562504 0.843134 O\n0.602424 0.922543 0.922542 O\n0.768343 0.164250 0.447365 O\n0.768343 0.447365 0.164250 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"K",
"Fe",
"O"
],
"chemical_system": "Fe-K-O",
"density": 2.749860000566587,
"density_atomic": 0.050502530748229794,
"volume": 257.412842631766,
"volume_molar": 11.924433628924797,
"formula_full": "K6 Fe2 O5",
"formula_reduced": "K6Fe2O5",
"formula_anonymous": "A2B5C6",
"energy_above_hull": 1.153327423076923,
"spacegroup": 8
},
{
"id": "jvasp-21726",
"created_at": "2022-09-04T14:38:34.210007Z",
"updated_at": "2022-09-04T14:38:34.210031Z",
"structure_string": "Ca4 Ga4 Au4\n1.0\n4.561345 0.000000 0.000000\n-0.000000 7.257510 0.000000\n0.000000 0.000000 7.775772\nCa Ga Au\n4 4 4\ndirect\n0.750001 0.494267 0.796715 Ca\n0.250000 0.005733 0.296715 Ca\n0.750001 0.994267 0.703284 Ca\n0.250000 0.505733 0.203285 Ca\n0.250000 0.185285 0.919474 Ga\n0.750001 0.314715 0.419474 Ga\n0.250000 0.685285 0.580525 Ga\n0.750001 0.814715 0.080525 Ga\n0.250000 0.790383 0.908381 Au\n0.750001 0.209617 0.091619 Au\n0.250000 0.290383 0.591618 Au\n0.750001 0.709617 0.408381 Au\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"Ga",
"Au"
],
"chemical_system": "Au-Ca-Ga",
"density": 7.91579340962199,
"density_atomic": 0.04661837851213441,
"volume": 257.4092103370024,
"volume_molar": 12.917954146415628,
"formula_full": "Ca4 Ga4 Au4",
"formula_reduced": "CaGaAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-48011",
"created_at": "2022-09-04T14:35:55.461894Z",
"updated_at": "2022-09-04T14:35:55.461926Z",
"structure_string": "Li4 Mn2 Cr3 Co3 O16\n1.0\n5.668435 -0.004395 0.005322\n2.804418 4.925991 0.003057\n0.027524 0.020142 9.214438\nLi Mn Cr Co O\n4 2 3 3 16\ndirect\n0.332180 0.332183 0.107943 Li\n0.006704 0.006832 0.004932 Li\n0.004622 0.004546 0.502502 Li\n0.665300 0.665329 0.601919 Li\n0.331980 0.331972 0.508379 Mn\n0.665133 0.665188 0.013149 Mn\n0.172445 0.654895 0.786312 Cr\n0.654815 0.172521 0.786310 Cr\n0.826549 0.826516 0.285890 Cr\n0.831000 0.341433 0.287124 Co\n0.171523 0.171596 0.786939 Co\n0.341467 0.830968 0.287125 Co\n0.834530 0.834613 0.902419 O\n0.334208 0.832976 0.901060 O\n0.663594 0.663563 0.396196 O\n0.960796 0.517432 0.156418 O\n0.517446 0.960801 0.156433 O\n0.167501 0.167469 0.399047 O\n0.477592 0.037984 0.656746 O\n0.480550 0.480626 0.655482 O\n0.668537 0.164711 0.401347 O\n0.001740 0.001697 0.193799 O\n0.001140 0.001223 0.692419 O\n0.332549 0.332622 0.900521 O\n0.520192 0.520161 0.162645 O\n0.164757 0.668489 0.401332 O\n0.037948 0.477650 0.656735 O\n0.832887 0.334306 0.901038 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Cr",
"Co",
"O"
],
"chemical_system": "Co-Cr-Li-Mn-O",
"density": 4.686190297322031,
"density_atomic": 0.10877824133157668,
"volume": 257.40441890994265,
"volume_molar": 5.536163010434573,
"formula_full": "Li4 Mn2 Cr3 Co3 O16",
"formula_reduced": "Li4Mn2Cr3Co3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy_above_hull": 3.326995192241379,
"spacegroup": 8
},
{
"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-43994",
"created_at": "2022-09-04T14:36:02.762582Z",
"updated_at": "2022-09-04T14:36:02.762603Z",
"structure_string": "Li1 V1 P4 H4 O14\n1.0\n5.304672 0.143520 -0.015167\n2.611446 6.508044 -0.347920\n1.192485 0.346923 7.517687\nLi V P H O\n1 1 4 4 14\ndirect\n0.000000 0.000000 0.000000 Li\n0.000001 0.500000 0.000000 V\n0.332983 0.238609 0.314183 P\n0.372816 0.651168 0.226890 P\n0.627184 0.348831 0.773110 P\n0.667017 0.761390 0.685817 P\n0.055119 0.811481 0.446140 H\n0.673599 0.940778 0.338206 H\n0.326401 0.059221 0.661794 H\n0.944881 0.188518 0.553860 H\n0.823331 0.308095 0.911650 O\n0.653643 0.652083 0.156706 O\n0.579396 0.568012 0.683294 O\n0.759803 0.186173 0.619247 O\n0.382103 0.943811 0.753224 O\n0.617897 0.056188 0.246776 O\n0.216570 0.208813 0.501775 O\n0.420604 0.431987 0.316706 O\n0.346358 0.347916 0.843294 O\n0.176669 0.691904 0.088350 O\n0.783430 0.791186 0.498225 O\n0.133452 0.279855 0.179768 O\n0.240198 0.813825 0.380753 O\n0.866549 0.720144 0.820232 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Li",
"V",
"P",
"H",
"O"
],
"chemical_system": "H-Li-O-P-V",
"density": 2.643702641552617,
"density_atomic": 0.0932399072606187,
"volume": 257.4005134187512,
"volume_molar": 6.458758847933286,
"formula_full": "Li1 V1 P4 H4 O14",
"formula_reduced": "LiVP4(H2O7)2",
"formula_anonymous": "ABC4D4E14",
"energy_above_hull": 3.159298966666667,
"spacegroup": 2
},
{
"id": "jvasp-29516",
"created_at": "2022-09-04T14:36:50.786235Z",
"updated_at": "2022-09-04T14:36:50.786259Z",
"structure_string": "Cd2 Te2 Mo2 O12\n1.0\n5.316959 0.000000 0.000000\n0.000000 5.316959 -0.000000\n0.000000 0.000000 9.105014\nCd Te Mo O\n2 2 2 12\ndirect\n0.000000 0.000000 0.500000 Cd\n0.500000 0.500000 0.500000 Cd\n0.500000 0.000000 0.762831 Te\n0.000000 0.500000 0.237169 Te\n0.500000 0.000000 0.183130 Mo\n0.000000 0.500000 0.816870 Mo\n0.818296 0.681704 0.932690 O\n0.306112 0.193889 0.625967 O\n0.283116 0.216884 0.284193 O\n0.693889 0.806112 0.625967 O\n0.216884 0.716884 0.715806 O\n0.193889 0.693889 0.374032 O\n0.806112 0.306112 0.374032 O\n0.181704 0.318296 0.932690 O\n0.318296 0.818296 0.067310 O\n0.681704 0.181704 0.067310 O\n0.783116 0.283116 0.715806 O\n0.716884 0.783116 0.284193 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Cd",
"Te",
"Mo",
"O"
],
"chemical_system": "Cd-Mo-O-Te",
"density": 5.573175466229252,
"density_atomic": 0.06993027955364166,
"volume": 257.3992284156776,
"volume_molar": 8.61163547241446,
"formula_full": "Cd2 Te2 Mo2 O12",
"formula_reduced": "CdTeMoO6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 2.3751204907407404,
"spacegroup": 113
},
{
"id": "jvasp-37454",
"created_at": "2022-09-04T14:38:06.184248Z",
"updated_at": "2022-09-04T14:38:06.184269Z",
"structure_string": "Sm6 Ho2\n1.0\n3.598570 -6.232905 0.000000\n3.598570 6.232905 0.000000\n0.000000 0.000000 5.737898\nSm Ho\n6 2\ndirect\n0.167173 0.832827 0.750000 Sm\n0.665653 0.832827 0.750000 Sm\n0.167173 0.334347 0.750000 Sm\n0.832827 0.167173 0.250000 Sm\n0.334347 0.167173 0.250000 Sm\n0.832827 0.665653 0.250000 Sm\n0.333333 0.666667 0.250000 Ho\n0.666667 0.333333 0.750000 Ho\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sm",
"Ho"
],
"chemical_system": "Ho-Sm",
"density": 7.948108719573317,
"density_atomic": 0.031080407550051994,
"volume": 257.39688217140565,
"volume_molar": 19.376003195266744,
"formula_full": "Sm6 Ho2",
"formula_reduced": "Sm3Ho",
"formula_anonymous": "AB3",
"energy_above_hull": 1.499860547916667,
"spacegroup": 194
},
{
"id": "jvasp-104728",
"created_at": "2022-09-04T14:36:42.033383Z",
"updated_at": "2022-09-04T14:36:42.033413Z",
"structure_string": "Li2 U1 Br6\n1.0\n6.861580 -0.000000 0.000000\n-3.430790 5.942302 0.000000\n-0.000000 -0.000000 6.312020\nLi U Br\n2 1 6\ndirect\n0.333333 0.666666 0.500000 Li\n0.666667 0.333333 0.500000 Li\n0.000000 0.000000 0.500000 U\n0.662689 0.662689 0.747521 Br\n-0.000000 0.337311 0.747521 Br\n0.337311 0.000000 0.747521 Br\n0.337311 0.337311 0.252479 Br\n-0.000000 0.662689 0.252479 Br\n0.662689 0.000000 0.252479 Br\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Li",
"U",
"Br"
],
"chemical_system": "Br-Li-U",
"density": 4.718654560404806,
"density_atomic": 0.03496997261262202,
"volume": 257.36365594840504,
"volume_molar": 17.220890695883405,
"formula_full": "Li2 U1 Br6",
"formula_reduced": "Li2UBr6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.7306456255555556,
"spacegroup": 162
},
{
"id": "jvasp-50044",
"created_at": "2022-09-04T14:37:37.300809Z",
"updated_at": "2022-09-04T14:37:37.300826Z",
"structure_string": "Ti2 Bi4 O10\n1.0\n0.000000 4.018153 0.000000\n-6.186986 2.009076 -0.000000\n-0.000000 0.000000 10.351985\nTi Bi O\n2 4 10\ndirect\n0.162400 0.675202 0.250000 Ti\n0.837600 0.324799 0.750000 Ti\n0.141779 0.716442 0.924425 Bi\n0.141779 0.716442 0.575576 Bi\n0.858221 0.283558 0.075576 Bi\n0.858221 0.283558 0.424424 Bi\n0.061292 0.877418 0.381473 O\n0.061292 0.877418 0.118527 O\n0.724721 0.550559 0.914369 O\n0.724721 0.550559 0.585632 O\n0.295536 0.408930 0.750000 O\n0.704464 0.591071 0.250000 O\n0.275279 0.449442 0.085632 O\n0.275279 0.449442 0.414369 O\n0.938708 0.122583 0.618527 O\n0.938708 0.122583 0.881474 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ti",
"Bi",
"O"
],
"chemical_system": "Bi-O-Ti",
"density": 7.043736818620169,
"density_atomic": 0.06217141414282991,
"volume": 257.3530009023487,
"volume_molar": 9.686349977764692,
"formula_full": "Ti2 Bi4 O10",
"formula_reduced": "TiBi2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.3256293041666667,
"spacegroup": 63
},
{
"id": "jvasp-119068",
"created_at": "2022-09-04T14:38:51.541593Z",
"updated_at": "2022-09-04T14:38:51.541625Z",
"structure_string": "U2 Ag2 F12\n1.0\n5.291065 -0.000000 0.000000\n0.000000 5.291065 0.000000\n-0.000000 -0.000000 9.192069\nU Ag F\n2 2 12\ndirect\n0.000000 0.000000 0.000000 U\n0.000000 0.000000 0.500000 U\n0.500000 0.500000 0.250000 Ag\n0.500000 0.500000 0.750000 Ag\n0.280098 0.280098 -0.000000 F\n0.719901 0.719901 -0.000000 F\n0.719901 0.280098 0.500000 F\n0.280098 0.719901 0.500000 F\n0.204663 0.204663 0.343776 F\n0.795336 0.795336 0.656224 F\n0.795336 0.795336 0.343776 F\n0.795336 0.204663 0.843776 F\n0.795336 0.204663 0.156224 F\n0.204663 0.204663 0.656224 F\n0.204663 0.795336 0.156224 F\n0.204663 0.795336 0.843776 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"U",
"Ag",
"F"
],
"chemical_system": "Ag-F-U",
"density": 5.935143950134313,
"density_atomic": 0.062175675645040764,
"volume": 257.33536200464573,
"volume_molar": 9.685686078234577,
"formula_full": "U2 Ag2 F12",
"formula_reduced": "UAgF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.318723119375,
"spacegroup": 132
}
]
}