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=4155",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=4153",
"results": [
{
"id": "jvasp-9744",
"created_at": "2022-09-04T14:37:35.596217Z",
"updated_at": "2022-09-04T14:37:35.596240Z",
"structure_string": "Tl4 Ag4 Te4\n1.0\n4.910599 -0.000000 0.000000\n0.000000 8.036446 0.000000\n0.000000 0.000000 8.673679\nTl Ag Te\n4 4 4\ndirect\n0.250000 0.179447 0.987353 Tl\n0.750000 0.679447 0.512647 Tl\n0.250000 0.320553 0.487353 Tl\n0.750000 0.820554 0.012647 Tl\n0.250000 0.587968 0.170657 Ag\n0.750000 0.412032 0.829343 Ag\n0.750000 0.087968 0.329343 Ag\n0.250000 0.912032 0.670657 Ag\n0.750000 0.403383 0.187039 Te\n0.750000 0.096617 0.687039 Te\n0.250000 0.596618 0.812962 Te\n0.250000 0.903383 0.312961 Te\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tl",
"Ag",
"Te"
],
"chemical_system": "Ag-Te-Tl",
"density": 8.535192465168818,
"density_atomic": 0.03505737535738821,
"volume": 342.29601838892495,
"volume_molar": 17.17795670271379,
"formula_full": "Tl4 Ag4 Te4",
"formula_reduced": "TlAgTe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0060669207407406,
"spacegroup": 62
},
{
"id": "jvasp-10537",
"created_at": "2022-09-04T14:37:07.198587Z",
"updated_at": "2022-09-04T14:37:07.198617Z",
"structure_string": "K6 B2 P4\n1.0\n6.177627 0.001723 1.680668\n-0.105421 6.176728 1.680668\n0.014621 0.014876 8.978934\nK B P\n6 2 4\ndirect\n0.653138 0.346862 0.250000 K\n0.346862 0.653138 0.750000 K\n0.253468 0.152536 0.017495 K\n0.847464 0.746532 0.482505 K\n0.746532 0.847464 0.982505 K\n0.152537 0.253468 0.517494 K\n0.283779 0.716221 0.250000 B\n0.716221 0.283779 0.750000 B\n0.408047 0.850585 0.354692 P\n0.149416 0.591953 0.145308 P\n0.850585 0.408047 0.854692 P\n0.591953 0.149415 0.645308 P\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"B",
"P"
],
"chemical_system": "B-K-P",
"density": 1.8439087449142726,
"density_atomic": 0.035056284008772455,
"volume": 342.3066745179589,
"volume_molar": 17.17849147528878,
"formula_full": "K6 B2 P4",
"formula_reduced": "K3BP2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.3269795972222225,
"spacegroup": 15
},
{
"id": "jvasp-116723",
"created_at": "2022-09-04T14:38:43.213231Z",
"updated_at": "2022-09-04T14:38:43.213252Z",
"structure_string": "Al5 Ag15\n1.0\n6.995451 0.001317 -0.028934\n-0.029058 6.995391 -0.028934\n0.001311 0.001317 6.995510\nAl Ag\n5 15\ndirect\n0.690817 0.690818 0.690818 Al\n0.193148 0.317178 0.803302 Al\n0.317177 0.803302 0.193149 Al\n0.803302 0.193149 0.317178 Al\n0.058250 0.058250 0.058250 Al\n0.565992 0.934791 0.439441 Ag\n0.360312 0.961286 0.801334 Ag\n0.297944 0.630607 0.544219 Ag\n0.039651 0.701204 0.880874 Ag\n0.880874 0.039652 0.701204 Ag\n0.801333 0.360315 0.961286 Ag\n0.701204 0.880874 0.039652 Ag\n0.630606 0.544219 0.297945 Ag\n0.934790 0.439441 0.565993 Ag\n0.961285 0.801334 0.360315 Ag\n0.129015 0.450733 0.199904 Ag\n0.199904 0.129015 0.450733 Ag\n0.450732 0.199904 0.129015 Ag\n0.544218 0.297945 0.630607 Ag\n0.439440 0.565993 0.934791 Ag\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Al",
"Ag"
],
"chemical_system": "Ag-Al",
"density": 8.502873783893802,
"density_atomic": 0.05842273515239067,
"volume": 342.33248319907864,
"volume_molar": 10.307872002725935,
"formula_full": "Al5 Ag15",
"formula_reduced": "AlAg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.198708645,
"spacegroup": 146
},
{
"id": "jvasp-28783",
"created_at": "2022-09-04T14:37:34.667710Z",
"updated_at": "2022-09-04T14:37:34.667725Z",
"structure_string": "Te2 Mo3 W1 Se4 S2\n1.0\n3.345587 -0.000111 0.000497\n-1.672889 2.897436 -0.000031\n0.005234 0.002665 35.320536\nTe Mo W Se S\n2 3 1 4 2\ndirect\n0.667089 0.333355 0.419115 Te\n0.666653 0.333312 0.526823 Te\n0.332877 0.666681 0.089859 Mo\n0.333426 0.666582 0.472948 Mo\n0.666505 0.333334 0.275851 Mo\n0.667112 0.333348 0.664232 W\n0.332972 0.666568 0.323068 Se\n0.666384 0.333391 0.042716 Se\n0.665960 0.333269 0.137061 Se\n0.333435 0.666796 0.228657 Se\n0.333601 0.666627 0.707381 S\n0.333995 0.666754 0.621034 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.3681530025823525,
"density_atomic": 0.03504903880155691,
"volume": 342.37743488323423,
"volume_molar": 17.182042549288088,
"formula_full": "Te2 Mo3 W1 Se4 S2",
"formula_reduced": "Te2Mo3W(Se2S)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 3.722742225,
"spacegroup": 156
},
{
"id": "jvasp-106592",
"created_at": "2022-09-04T14:36:58.745833Z",
"updated_at": "2022-09-04T14:36:58.745849Z",
"structure_string": "Rb4 Mg2\n1.0\n7.621397 0.053860 -1.612890\n-4.998479 5.753591 -1.612890\n-0.024326 -0.053860 7.790155\nRb Mg\n4 2\ndirect\n0.664665 0.835335 0.500000 Rb\n0.335335 0.164665 0.500000 Rb\n0.164664 0.664665 0.829329 Rb\n0.835335 0.335335 0.170671 Rb\n0.750000 0.750000 0.000000 Mg\n0.250000 0.250000 0.000000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Rb",
"Mg"
],
"chemical_system": "Mg-Rb",
"density": 1.8938362432571803,
"density_atomic": 0.017524452041059565,
"volume": 342.37875089857744,
"volume_molar": 34.364217185736834,
"formula_full": "Rb4 Mg2",
"formula_reduced": "Rb2Mg",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1249184999999999,
"spacegroup": 140
},
{
"id": "jvasp-10668",
"created_at": "2022-09-04T14:37:15.828052Z",
"updated_at": "2022-09-04T14:37:15.828070Z",
"structure_string": "Pr2 Cd6 P6\n1.0\n2.159944 -3.741133 -0.000000\n2.159944 3.741133 0.000000\n-0.000000 0.000000 21.185603\nPr Cd P\n2 6 6\ndirect\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.333332 0.666666 0.250000 Cd\n0.666666 0.333332 0.750000 Cd\n0.666666 0.333332 0.373694 Cd\n0.333332 0.666666 0.873694 Cd\n0.333332 0.666666 0.626305 Cd\n0.666666 0.333332 0.126306 Cd\n0.666666 0.333332 0.250000 P\n0.333332 0.666666 0.750000 P\n0.666666 0.333332 0.922096 P\n0.333332 0.666666 0.422096 P\n0.333332 0.666666 0.077904 P\n0.666666 0.333332 0.577904 P\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Pr",
"Cd",
"P"
],
"chemical_system": "Cd-P-Pr",
"density": 5.5391846360819335,
"density_atomic": 0.040889478422441644,
"volume": 342.38636784166675,
"volume_molar": 14.727849296054677,
"formula_full": "Pr2 Cd6 P6",
"formula_reduced": "Pr(CdP)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.7296707999999996,
"spacegroup": 194
},
{
"id": "jvasp-117023",
"created_at": "2022-09-04T14:38:49.285217Z",
"updated_at": "2022-09-04T14:38:49.285237Z",
"structure_string": "K4 Ba1 U3 O12\n1.0\n7.155993 0.051550 -2.456620\n-3.455254 6.266746 -2.456620\n0.030194 0.051550 7.565865\nK Ba U O\n4 1 3 12\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.500000 0.000000 K\n0.500000 0.000000 -0.000000 K\n-0.000000 0.000000 0.500000 K\n0.500000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 U\n0.000000 0.500000 0.500000 U\n0.500000 0.000000 0.500000 U\n0.297740 0.297740 0.030760 O\n0.702260 0.969241 0.702260 O\n0.969240 0.702260 0.702260 O\n0.702260 0.702260 0.969240 O\n0.249307 0.500000 0.750692 O\n0.500000 0.249308 0.750692 O\n0.500000 0.750693 0.249308 O\n0.750693 0.500000 0.249307 O\n0.030760 0.297740 0.297740 O\n0.249308 0.750693 0.500000 O\n0.750692 0.249308 0.500000 O\n0.297740 0.030760 0.297740 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"K",
"Ba",
"U",
"O"
],
"chemical_system": "Ba-K-O-U",
"density": 5.817960360761129,
"density_atomic": 0.05840404088224256,
"volume": 342.44205876653467,
"volume_molar": 10.311171400181319,
"formula_full": "K4 Ba1 U3 O12",
"formula_reduced": "K4BaU3O12",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.5588803984999995,
"spacegroup": 166
},
{
"id": "jvasp-30154",
"created_at": "2022-09-04T14:36:48.411734Z",
"updated_at": "2022-09-04T14:36:48.411748Z",
"structure_string": "Co2 H12 Se4 O16\n1.0\n6.400488 0.000000 -2.841972\n0.000000 6.718449 0.000000\n-0.056635 0.000000 7.988902\nCo H Se O\n2 12 4 16\ndirect\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.000000 Co\n0.254489 0.508296 0.239841 H\n0.754490 0.991704 0.739841 H\n0.745512 0.491704 0.760159 H\n0.245511 0.008296 0.260159 H\n0.246654 0.773548 0.639966 H\n0.746654 0.726452 0.139966 H\n0.753347 0.226452 0.360035 H\n0.253347 0.273548 0.860035 H\n0.123148 0.826174 0.425169 H\n0.623149 0.673826 0.925169 H\n0.876853 0.173826 0.574831 H\n0.376852 0.326174 0.074831 H\n0.941215 0.217984 0.112314 Se\n0.441216 0.282016 0.612314 Se\n0.558785 0.717984 0.387687 Se\n0.058786 0.782016 0.887687 Se\n0.804316 0.284070 0.488525 O\n0.695684 0.784070 0.011475 O\n0.195685 0.715930 0.511475 O\n0.113253 0.035791 0.280120 O\n0.613254 0.464209 0.780121 O\n0.886748 0.964209 0.719880 O\n0.386747 0.535791 0.219880 O\n0.532168 0.072033 0.737577 O\n0.967834 0.572033 0.762424 O\n0.467833 0.927967 0.262424 O\n0.722849 0.171249 0.154042 O\n0.222849 0.328751 0.654042 O\n0.277152 0.828751 0.845958 O\n0.777152 0.671249 0.345958 O\n0.032167 0.427967 0.237577 O\n0.304317 0.215930 0.988525 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Co",
"H",
"Se",
"O"
],
"chemical_system": "Co-H-O-Se",
"density": 3.4029656707929234,
"density_atomic": 0.09928392343525955,
"volume": 342.4522200935231,
"volume_molar": 6.0655749205226375,
"formula_full": "Co2 H12 Se4 O16",
"formula_reduced": "CoH6(SeO4)2",
"formula_anonymous": "AB2C6D8",
"energy_above_hull": 2.9528832725490197,
"spacegroup": 14
},
{
"id": "jvasp-49949",
"created_at": "2022-09-04T14:35:45.593504Z",
"updated_at": "2022-09-04T14:35:45.593526Z",
"structure_string": "Ce4 Nd4 O14\n1.0\n-5.553288 5.553288 0.000000\n5.553288 -0.000000 5.553288\n5.553288 5.553288 0.000000\nCe Nd O\n4 4 14\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.000000 Ce\n0.000000 0.500000 0.000000 Ce\n0.000000 0.000000 0.500000 Ce\n0.500000 0.000000 0.000000 Nd\n0.500000 0.000000 0.500000 Nd\n0.500000 0.500000 0.500000 Nd\n0.000000 0.500000 0.500000 Nd\n0.347346 0.250000 0.902655 O\n0.652654 0.750000 0.652654 O\n0.375000 0.750000 0.375000 O\n0.097346 0.194692 0.652654 O\n0.097346 0.750000 0.097346 O\n0.625000 0.250000 0.625000 O\n0.652654 0.750000 0.097346 O\n0.902655 0.250000 0.902655 O\n0.347346 0.250000 0.347346 O\n0.347346 0.694692 0.902655 O\n0.652654 0.305309 0.097346 O\n0.902655 0.250000 0.347346 O\n0.902655 0.805309 0.347346 O\n0.097346 0.750000 0.652654 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ce",
"Nd",
"O"
],
"chemical_system": "Ce-Nd-O",
"density": 6.60027126966308,
"density_atomic": 0.06423061700886344,
"volume": 342.515781795528,
"volume_molar": 9.375810229518706,
"formula_full": "Ce4 Nd4 O14",
"formula_reduced": "Ce2Nd2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.3700716818181813,
"spacegroup": 227
},
{
"id": "jvasp-85641",
"created_at": "2022-09-04T14:35:46.840984Z",
"updated_at": "2022-09-04T14:35:46.841010Z",
"structure_string": "Ba1 Ge12 Pt4\n1.0\n7.197670 0.000000 -2.544760\n-3.598836 6.233365 -2.544760\n-0.000000 -0.000000 7.634282\nBa Ge Pt\n1 12 4\ndirect\n0.000000 0.000000 0.000000 Ba\n0.848363 0.492010 0.643647 Ge\n0.492009 0.643648 0.848363 Ge\n0.204716 0.356353 0.848363 Ge\n0.356353 0.848364 0.204716 Ge\n0.356353 0.151637 0.507991 Ge\n0.848363 0.204716 0.356353 Ge\n0.507991 0.356353 0.151637 Ge\n0.643647 0.151637 0.795284 Ge\n0.151637 0.507991 0.356353 Ge\n0.795284 0.643648 0.151637 Ge\n0.643647 0.848364 0.492009 Ge\n0.151637 0.795285 0.643647 Ge\n-0.000000 0.500000 0.000000 Pt\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.500000 Pt\n0.500000 -0.000000 0.000000 Pt\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Ba",
"Ge",
"Pt"
],
"chemical_system": "Ba-Ge-Pt",
"density": 8.674810744024738,
"density_atomic": 0.04963250944865356,
"volume": 342.5174384460059,
"volume_molar": 12.133460159273431,
"formula_full": "Ba1 Ge12 Pt4",
"formula_reduced": "Ba(Ge3Pt)4",
"formula_anonymous": "AB4C12",
"energy_above_hull": 1.442493115882353,
"spacegroup": 204
},
{
"id": "jvasp-98205",
"created_at": "2022-09-04T14:35:44.722011Z",
"updated_at": "2022-09-04T14:35:44.722031Z",
"structure_string": "V4 Co2 P4 O20\n1.0\n6.347897 0.000000 0.000362\n0.000000 7.263762 0.000000\n0.056077 0.000000 7.430300\nV Co P O\n4 2 4 20\ndirect\n0.253923 0.776705 0.666915 V\n0.253923 0.723295 0.166915 V\n0.746078 0.223294 0.333084 V\n0.746079 0.276705 0.833085 V\n0.000000 0.000000 0.000000 Co\n1.000000 0.500000 0.500000 Co\n0.253023 0.123422 0.373599 P\n0.746978 0.623422 0.126400 P\n0.746978 0.876577 0.626400 P\n0.253024 0.376578 0.873600 P\n0.228579 0.505058 0.707187 O\n0.256584 0.490612 0.047119 O\n0.771422 0.494941 0.292813 O\n0.228579 0.994942 0.207187 O\n0.743417 0.990611 0.452881 O\n0.940452 0.745584 0.624907 O\n0.224726 0.846176 0.882196 O\n0.224724 0.653823 0.382197 O\n0.775277 0.153824 0.117803 O\n0.743417 0.509389 0.952882 O\n0.256585 0.009388 0.547118 O\n0.448200 0.252985 0.857164 O\n0.551802 0.752985 0.642835 O\n0.551800 0.747014 0.142835 O\n0.448200 0.247015 0.357165 O\n0.940451 0.754417 0.124906 O\n0.059550 0.254416 0.375094 O\n0.059550 0.245584 0.875093 O\n0.775276 0.346176 0.617802 O\n0.771422 0.005058 0.792812 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"V",
"Co",
"P",
"O"
],
"chemical_system": "Co-O-P-V",
"density": 3.7102691193557273,
"density_atomic": 0.08756360143567592,
"volume": 342.60811008370814,
"volume_molar": 6.8774475481388855,
"formula_full": "V4 Co2 P4 O20",
"formula_reduced": "V2Co(PO5)2",
"formula_anonymous": "AB2C2D10",
"energy_above_hull": 3.336057686666668,
"spacegroup": 14
},
{
"id": "jvasp-97865",
"created_at": "2022-09-04T14:35:59.076927Z",
"updated_at": "2022-09-04T14:35:59.076953Z",
"structure_string": "Rb8 C2 O8\n1.0\n5.905399 0.000000 0.000000\n0.000000 6.978609 0.035298\n0.000000 0.243642 8.315061\nRb C O\n8 2 8\ndirect\n0.736176 0.129267 0.400247 Rb\n0.230353 0.458275 0.397210 Rb\n0.715805 0.006040 0.833373 Rb\n0.911656 0.414150 0.965873 Rb\n0.215805 -0.006040 0.166627 Rb\n0.411656 0.585850 0.034128 Rb\n0.730353 0.541725 0.602790 Rb\n0.236176 0.870733 0.599753 Rb\n0.768544 0.709576 0.264830 C\n0.268544 0.290424 0.735170 C\n0.266614 0.499324 0.731877 O\n0.051221 0.225813 0.683080 O\n0.766614 0.500676 0.268123 O\n0.812636 0.781390 0.101695 O\n0.440286 0.224952 0.631147 O\n0.940286 0.775047 0.368853 O\n0.312636 0.218610 0.898305 O\n0.551221 0.774187 0.316920 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Rb",
"C",
"O"
],
"chemical_system": "C-O-Rb",
"density": 4.0505218354409465,
"density_atomic": 0.052535554837262216,
"volume": 342.62510514561137,
"volume_molar": 11.462981172759289,
"formula_full": "Rb8 C2 O8",
"formula_reduced": "Rb4CO4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 1.4038526666666664,
"spacegroup": 4
}
]
}