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=nelements&page=4556",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=4554",
"results": [
{
"id": "jvasp-11045",
"created_at": "2022-09-04T14:37:19.228838Z",
"updated_at": "2022-09-04T14:37:19.228864Z",
"structure_string": "Sr2 Y1 Tl1 Co2 O7\n1.0\n3.772781 -0.000000 -0.000000\n-0.000000 3.772781 -0.000000\n-0.000000 0.000000 12.190734\nSr Y Tl Co O\n2 1 1 2 7\ndirect\n0.500000 0.500000 0.794484 Sr\n0.500000 0.500000 0.205516 Sr\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.638294 Co\n0.000000 0.000000 0.361706 Co\n0.500000 0.000000 0.618878 O\n0.000000 0.500000 0.618878 O\n0.500000 0.000000 0.381122 O\n0.000000 0.500000 0.381122 O\n0.000000 0.000000 0.805511 O\n0.000000 0.000000 0.194489 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 13,
"nelements": 5,
"elements": [
"Sr",
"Y",
"Tl",
"Co",
"O"
],
"chemical_system": "Co-O-Sr-Tl-Y",
"density": 6.683360618695522,
"density_atomic": 0.07491871238322374,
"volume": 173.5214018829165,
"volume_molar": 8.038233130857325,
"formula_full": "Sr2 Y1 Tl1 Co2 O7",
"formula_reduced": "Sr2YTlCo2O7",
"formula_anonymous": "ABC2D2E7",
"energy_above_hull": 2.157068997692308,
"spacegroup": 123
},
{
"id": "jvasp-40129",
"created_at": "2022-09-04T14:37:19.429499Z",
"updated_at": "2022-09-04T14:37:19.429525Z",
"structure_string": "Ca2 Re2 H8 Cl2 O12\n1.0\n3.516902 7.117475 -0.000000\n-3.516902 7.117475 -0.000000\n0.000000 -0.000000 6.686298\nCa Re H Cl O\n2 2 8 2 12\ndirect\n0.412099 0.412099 0.250000 Ca\n0.587901 0.587901 0.750000 Ca\n0.242818 0.242818 0.750000 Re\n0.757183 0.757183 0.250000 Re\n0.839427 0.251395 0.066386 H\n0.160576 0.748605 0.566386 H\n0.748605 0.160576 0.933615 H\n0.251395 0.839427 0.433614 H\n0.160576 0.748605 0.933615 H\n0.839427 0.251395 0.433614 H\n0.251395 0.839427 0.066386 H\n0.748605 0.160576 0.566386 H\n0.116890 0.116890 0.250000 Cl\n0.883111 0.883111 0.750000 Cl\n0.316479 0.316479 0.540371 O\n0.683522 0.683522 0.040371 O\n0.683522 0.683522 0.459630 O\n0.316479 0.316479 0.959630 O\n0.372191 0.969251 0.750000 O\n0.627810 0.030750 0.250000 O\n0.030750 0.627810 0.250000 O\n0.969251 0.372191 0.750000 O\n0.706062 0.293938 0.500000 O\n0.293938 0.706062 0.000000 O\n0.293938 0.706062 0.500000 O\n0.706062 0.293938 0.000000 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Ca",
"Re",
"H",
"Cl",
"O"
],
"chemical_system": "Ca-Cl-H-O-Re",
"density": 3.589261427832278,
"density_atomic": 0.07767323736252314,
"volume": 334.73562945047064,
"volume_molar": 7.7531733766843685,
"formula_full": "Ca2 Re2 H8 Cl2 O12",
"formula_reduced": "CaReH4ClO6",
"formula_anonymous": "ABCD4E6",
"energy_above_hull": 2.834449499038461,
"spacegroup": 63
},
{
"id": "jvasp-59630",
"created_at": "2022-09-04T14:37:05.117553Z",
"updated_at": "2022-09-04T14:37:05.117577Z",
"structure_string": "Rb2 Fe1 Cu1 C6 N6\n1.0\n6.295837 0.000000 3.634903\n2.098612 5.935771 3.634903\n-0.000000 0.000000 7.269806\nRb Fe Cu C N\n2 1 1 6 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Cu\n0.182579 0.817421 0.182579 C\n0.817421 0.182579 0.817421 C\n0.182579 0.817421 0.817421 C\n0.817421 0.817421 0.182578 C\n0.817421 0.182579 0.182578 C\n0.182579 0.182579 0.817421 C\n0.703095 0.703095 0.296905 N\n0.296905 0.703095 0.703095 N\n0.703095 0.296905 0.703095 N\n0.296905 0.703095 0.296905 N\n0.703095 0.296905 0.296905 N\n0.296905 0.296905 0.703095 N\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Rb",
"Fe",
"Cu",
"C",
"N"
],
"chemical_system": "C-Cu-Fe-N-Rb",
"density": 2.7286636591414375,
"density_atomic": 0.05889338920540941,
"volume": 271.6773514968703,
"volume_molar": 10.225495325113435,
"formula_full": "Rb2 Fe1 Cu1 C6 N6",
"formula_reduced": "Rb2FeCu(CN)6",
"formula_anonymous": "ABC2D6E6",
"energy_above_hull": 5.320863465625,
"spacegroup": 225
},
{
"id": "jvasp-28712",
"created_at": "2022-09-04T14:37:00.525025Z",
"updated_at": "2022-09-04T14:37:00.525047Z",
"structure_string": "Te2 Mo3 W1 Se4 S2\n1.0\n3.347932 0.000023 -0.000378\n-1.673946 2.899381 0.001186\n-0.004002 0.012110 35.024152\nTe Mo W Se S\n2 3 1 4 2\ndirect\n0.333241 0.666289 0.718703 Te\n0.333444 0.667346 0.610246 Te\n0.333354 0.666525 0.096544 Mo\n0.666748 0.333470 0.277088 Mo\n0.666677 0.333495 0.664533 Mo\n0.333213 0.666512 0.464791 W\n0.333317 0.666348 0.324635 Se\n0.666590 0.333529 0.416951 Se\n0.666461 0.332716 0.512622 Se\n0.333482 0.667213 0.229509 Se\n0.666761 0.333593 0.053224 S\n0.666701 0.332956 0.139905 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.406034439259992,
"density_atomic": 0.03529636929741547,
"volume": 339.9783104852851,
"volume_molar": 17.061643675744758,
"formula_full": "Te2 Mo3 W1 Se4 S2",
"formula_reduced": "Te2Mo3W(Se2S)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 3.724024725000001,
"spacegroup": 156
},
{
"id": "jvasp-50394",
"created_at": "2022-09-04T14:36:59.786175Z",
"updated_at": "2022-09-04T14:36:59.786203Z",
"structure_string": "Sr3 Li1 Ta4 O12 F2\n1.0\n0.080990 5.260522 5.260522\n5.341512 0.000000 5.341512\n5.341512 5.341512 0.000000\nSr Li Ta O F\n3 1 4 12 2\ndirect\n0.625000 0.625000 0.125000 Sr\n0.625000 0.125000 0.625000 Sr\n0.625000 0.625000 0.625000 Sr\n0.125000 0.625000 0.625000 Li\n0.125000 0.125000 0.125000 Ta\n0.625000 0.125000 0.125000 Ta\n0.125000 0.625000 0.125000 Ta\n0.125000 0.125000 0.625000 Ta\n0.190613 0.811388 0.811388 O\n0.799058 0.802383 0.199280 O\n0.190613 0.811388 0.186611 O\n0.799058 0.199280 0.802383 O\n0.190613 0.186611 0.811388 O\n0.059386 0.438611 0.438611 O\n0.059386 0.438611 0.063389 O\n0.450942 0.447616 0.050720 O\n0.059386 0.063389 0.438611 O\n0.799058 0.199280 0.199280 O\n0.450942 0.050720 0.050720 O\n0.450942 0.050720 0.447616 O\n0.445141 0.518286 0.518286 F\n0.804858 0.731714 0.731714 F\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Sr",
"Li",
"Ta",
"O",
"F"
],
"chemical_system": "F-Li-O-Sr-Ta",
"density": 6.821047282653129,
"density_atomic": 0.0738569755051677,
"volume": 297.87301537226745,
"volume_molar": 8.153787396261084,
"formula_full": "Sr3 Li1 Ta4 O12 F2",
"formula_reduced": "Sr3LiTa4(O6F)2",
"formula_anonymous": "AB2C3D4E12",
"energy_above_hull": 2.9991699225,
"spacegroup": 166
},
{
"id": "jvasp-55743",
"created_at": "2022-09-04T14:37:04.213657Z",
"updated_at": "2022-09-04T14:37:04.213685Z",
"structure_string": "Rb4 Cu2 H8 Cl8 O4\n1.0\n7.572529 -0.000000 0.000000\n-0.000000 7.572529 0.000000\n0.000000 0.000000 8.006481\nRb Cu H Cl O\n4 2 8 8 4\ndirect\n0.500000 0.000000 0.750000 Rb\n0.500000 0.000000 0.250000 Rb\n0.000000 0.500000 0.750000 Rb\n0.000000 0.500000 0.250000 Rb\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.575630 0.424371 0.819174 H\n0.075629 0.075629 0.319174 H\n0.575630 0.424371 0.180826 H\n0.424371 0.575630 0.819174 H\n0.924371 0.924371 0.319174 H\n0.075629 0.075629 0.680826 H\n0.924371 0.924371 0.680826 H\n0.424371 0.575630 0.180826 H\n0.716514 0.283486 0.000000 Cl\n0.785892 0.785892 0.000000 Cl\n0.783486 0.783486 0.500000 Cl\n0.285892 0.714108 0.500000 Cl\n0.214108 0.214108 0.000000 Cl\n0.216514 0.216514 0.500000 Cl\n0.283486 0.716514 0.000000 Cl\n0.714108 0.285892 0.500000 Cl\n0.500000 0.500000 0.253776 O\n0.000000 0.000000 0.246224 O\n0.500000 0.500000 0.746224 O\n0.000000 0.000000 0.753776 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Rb",
"Cu",
"H",
"Cl",
"O"
],
"chemical_system": "Cl-Cu-H-O-Rb",
"density": 2.98259515644774,
"density_atomic": 0.056630419689592176,
"volume": 459.1172048964774,
"volume_molar": 10.634109358555186,
"formula_full": "Rb4 Cu2 H8 Cl8 O4",
"formula_reduced": "Rb2CuH4(Cl2O)2",
"formula_anonymous": "AB2C2D4E4",
"energy_above_hull": 1.153993363076923,
"spacegroup": 136
},
{
"id": "jvasp-8422",
"created_at": "2022-09-04T14:37:03.414959Z",
"updated_at": "2022-09-04T14:37:03.414984Z",
"structure_string": "Ba1 Y1 Cu1 Mo1 O5\n1.0\n3.972471 0.000000 0.000000\n0.000000 3.972471 -0.000000\n0.000000 0.000000 7.623522\nBa Y Cu Mo O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.013515 Ba\n0.000000 0.000000 0.556799 Y\n0.500000 0.500000 0.725485 Cu\n0.500000 0.500000 0.327589 Mo\n0.500000 0.000000 0.339755 O\n0.000000 0.500000 0.339755 O\n0.500000 0.000000 0.720779 O\n0.000000 0.500000 0.720779 O\n0.500000 0.500000 0.067626 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Ba",
"Y",
"Cu",
"Mo",
"O"
],
"chemical_system": "Ba-Cu-Mo-O-Y",
"density": 6.428253389183483,
"density_atomic": 0.07481098632908713,
"volume": 120.30318595733748,
"volume_molar": 8.049807996794906,
"formula_full": "Ba1 Y1 Cu1 Mo1 O5",
"formula_reduced": "BaYCuMoO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 2.40206503,
"spacegroup": 99
},
{
"id": "jvasp-11411",
"created_at": "2022-09-04T14:37:03.906104Z",
"updated_at": "2022-09-04T14:37:03.906133Z",
"structure_string": "Sr3 Sc2 Cu2 S2 O5\n1.0\n4.044359 0.000000 -0.626703\n-0.097113 4.043193 -0.626703\n-0.010843 -0.011106 13.293283\nSr Sc Cu S O\n3 2 2 2 5\ndirect\n0.500000 0.500000 0.000000 Sr\n0.644709 0.644707 0.289416 Sr\n0.355293 0.355291 0.710584 Sr\n0.923419 0.923417 0.846836 Sc\n0.076582 0.076582 0.153164 Sc\n0.250001 0.749999 0.500000 Cu\n0.750001 0.249999 0.500000 Cu\n0.802030 0.802028 0.604058 S\n0.197971 0.197970 0.395942 S\n0.000000 0.000000 0.000000 O\n0.413487 0.913484 0.826973 O\n0.913487 0.413485 0.826973 O\n0.086515 0.586514 0.173028 O\n0.586515 0.086514 0.173028 O\n",
"nsites": 14,
"nelements": 5,
"elements": [
"Sr",
"Sc",
"Cu",
"S",
"O"
],
"chemical_system": "Cu-O-S-Sc-Sr",
"density": 4.767968486418981,
"density_atomic": 0.0644219863145532,
"volume": 217.3171117643316,
"volume_molar": 9.34795883286755,
"formula_full": "Sr3 Sc2 Cu2 S2 O5",
"formula_reduced": "Sr3Sc2Cu2S2O5",
"formula_anonymous": "A2B2C2D3E5",
"energy_above_hull": 1.446281987857143,
"spacegroup": 139
},
{
"id": "jvasp-28842",
"created_at": "2022-09-04T14:37:03.728948Z",
"updated_at": "2022-09-04T14:37:03.728974Z",
"structure_string": "Te2 Mo1 W3 Se2 S4\n1.0\n3.309535 0.000000 0.000000\n-1.654768 2.866157 0.000161\n0.000000 0.002100 40.723856\nTe Mo W Se S\n2 1 3 2 4\ndirect\n0.666693 0.333384 0.421081 Te\n0.666622 0.333241 0.515179 Te\n0.333323 0.666646 0.468147 Mo\n0.333389 0.666777 0.094004 W\n0.666678 0.333354 0.280569 W\n0.666612 0.333223 0.660215 W\n0.333245 0.666489 0.701552 Se\n0.333310 0.666622 0.618762 Se\n0.333315 0.666632 0.318270 S\n0.666753 0.333504 0.056392 S\n0.666693 0.333385 0.131695 S\n0.333374 0.666749 0.242881 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.11042077757439,
"density_atomic": 0.031064573812473045,
"volume": 386.29211758835595,
"volume_molar": 19.385879221629597,
"formula_full": "Te2 Mo1 W3 Se2 S4",
"formula_reduced": "Te2MoW3(SeS2)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 4.220089847222222,
"spacegroup": 156
},
{
"id": "jvasp-8368",
"created_at": "2022-09-04T14:37:05.008152Z",
"updated_at": "2022-09-04T14:37:05.008178Z",
"structure_string": "Sr2 Zn1 Cu2 S2 O2\n1.0\n3.933188 0.000000 -0.867707\n-0.191427 3.928527 -0.867707\n-0.003961 -0.004158 9.330175\nSr Zn Cu S O\n2 1 2 2 2\ndirect\n0.592244 0.592245 0.184487 Sr\n0.407756 0.407756 0.815512 Sr\n0.000000 0.000000 0.000000 Zn\n0.750000 0.250000 0.499999 Cu\n0.250000 0.750000 0.499999 Cu\n0.827657 0.827658 0.655314 S\n0.172342 0.172342 0.344685 S\n0.500000 -0.000000 -0.000000 O\n-0.000000 0.500000 -0.000000 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Sr",
"Zn",
"Cu",
"S",
"O"
],
"chemical_system": "Cu-O-S-Sr-Zn",
"density": 5.34400027289466,
"density_atomic": 0.06244012800224206,
"volume": 144.13807735430706,
"volume_molar": 9.64466434114895,
"formula_full": "Sr2 Zn1 Cu2 S2 O2",
"formula_reduced": "Sr2ZnCu2(SO)2",
"formula_anonymous": "AB2C2D2E2",
"energy_above_hull": 0.4852567688888887,
"spacegroup": 139
},
{
"id": "jvasp-29031",
"created_at": "2022-09-04T14:36:48.091042Z",
"updated_at": "2022-09-04T14:36:48.091065Z",
"structure_string": "Te4 Mo1 W3 Se2 S2\n1.0\n3.411136 -0.000002 0.000002\n-1.705569 2.954085 -0.000038\n0.000025 -0.000480 38.436742\nTe Mo W Se S\n4 1 3 2 2\ndirect\n0.333368 0.666734 0.706294 Te\n0.666638 0.333273 0.045411 Te\n0.666648 0.333294 0.142664 Te\n0.333356 0.666709 0.608474 Te\n0.333312 0.666622 0.093875 Mo\n0.333327 0.666652 0.469648 W\n0.666688 0.333372 0.281815 W\n0.666694 0.333386 0.657537 W\n0.333364 0.666728 0.324848 Se\n0.333356 0.666712 0.238857 Se\n0.666631 0.333257 0.430460 S\n0.666639 0.333275 0.508863 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.916044276049801,
"density_atomic": 0.030982239176534313,
"volume": 387.3186806035859,
"volume_molar": 19.43739677976897,
"formula_full": "Te4 Mo1 W3 Se2 S2",
"formula_reduced": "Te4MoW3(SeS)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 4.037823641666667,
"spacegroup": 156
},
{
"id": "jvasp-101229",
"created_at": "2022-09-04T14:37:00.526410Z",
"updated_at": "2022-09-04T14:37:00.526427Z",
"structure_string": "Ba1 Sr1 Mg1 Te1 O6\n1.0\n4.955637 -0.000000 2.861139\n1.651879 4.672220 2.861139\n-0.000000 -0.000000 5.722277\nBa Sr Mg Te O\n1 1 1 1 6\ndirect\n0.750001 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Te\n0.741302 0.741302 0.258699 O\n0.258699 0.741302 0.258699 O\n0.741302 0.258698 0.258699 O\n0.258699 0.258698 0.741302 O\n0.741302 0.258698 0.741302 O\n0.258699 0.741302 0.741302 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Mg",
"Te",
"O"
],
"chemical_system": "Ba-Mg-O-Sr-Te",
"density": 5.926241880798054,
"density_atomic": 0.07547590897274108,
"volume": 132.49260772217536,
"volume_molar": 7.97889133362403,
"formula_full": "Ba1 Sr1 Mg1 Te1 O6",
"formula_reduced": "BaSrMgTeO6",
"formula_anonymous": "ABCDE6",
"energy_above_hull": 1.3913850096666665,
"spacegroup": 216
}
]
}