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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=958",
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"results": [
{
"id": "jvasp-100935",
"created_at": "2022-09-04T14:36:33.737923Z",
"updated_at": "2022-09-04T14:36:33.737954Z",
"structure_string": "Li2 Mn2 P2\n1.0\n3.634553 -0.000000 0.000000\n0.000000 3.634553 0.000000\n0.000000 -0.000000 6.152720\nLi Mn P\n2 2 2\ndirect\n-0.000000 0.500000 0.352091 Li\n0.500000 0.000000 0.647909 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 -0.000000 Mn\n-0.000000 0.500000 0.771054 P\n0.500000 0.000000 0.228945 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Li",
"Mn",
"P"
],
"chemical_system": "Li-Mn-P",
"density": 3.794066742463722,
"density_atomic": 0.07382136756677841,
"volume": 81.27728051871203,
"volume_molar": 8.157720397894828,
"formula_full": "Li2 Mn2 P2",
"formula_reduced": "LiMnP",
"formula_anonymous": "ABC",
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"spacegroup": 129
},
{
"id": "jvasp-106354",
"created_at": "2022-09-04T14:38:39.600754Z",
"updated_at": "2022-09-04T14:38:39.600780Z",
"structure_string": "Li3 Mn1 P2\n1.0\n3.941543 0.000000 0.000000\n0.000000 3.941543 0.000000\n0.000000 0.000000 5.591514\nLi Mn P\n3 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.287233 P\n0.500000 0.000000 0.712766 P\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Li-Mn-P",
"density": 2.6323771270347307,
"density_atomic": 0.06906997456876854,
"volume": 86.86842636703427,
"volume_molar": 8.718898186366264,
"formula_full": "Li3 Mn1 P2",
"formula_reduced": "Li3MnP2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.185508040229885,
"spacegroup": 115
},
{
"id": "jvasp-88017",
"created_at": "2022-09-04T14:35:59.670975Z",
"updated_at": "2022-09-04T14:35:59.671004Z",
"structure_string": "Li2 Mn2 P2\n1.0\n3.809382 -0.000000 0.000000\n-0.000000 3.809382 0.000000\n0.000000 -0.000000 5.752220\nLi Mn P\n2 2 2\ndirect\n0.250000 0.750000 0.500000 Li\n0.750000 0.250000 0.500000 Li\n0.250000 0.750000 0.000000 Mn\n0.750000 0.250000 0.000000 Mn\n0.250000 0.250000 0.781522 P\n0.750000 0.750000 0.218478 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Mn",
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],
"chemical_system": "Li-Mn-P",
"density": 3.6942781556697777,
"density_atomic": 0.07187977548505832,
"volume": 83.47271481457567,
"volume_molar": 8.3780739705452,
"formula_full": "Li2 Mn2 P2",
"formula_reduced": "LiMnP",
"formula_anonymous": "ABC",
"energy_above_hull": 2.1650509137931038,
"spacegroup": 129
},
{
"id": "jvasp-44414",
"created_at": "2022-09-04T14:37:07.817613Z",
"updated_at": "2022-09-04T14:37:07.817639Z",
"structure_string": "Li4 Mn6 W2 O16\n1.0\n5.818817 -0.025088 0.090496\n-2.931135 5.076875 -0.180993\n0.150630 -0.260898 9.672049\nLi Mn W O\n4 6 2 16\ndirect\n0.342088 0.656089 0.907028 Li\n0.019168 0.015594 0.989711 Li\n-0.019168 -0.003573 0.489711 Li\n0.657912 0.314001 0.407028 Li\n0.837036 0.659869 0.715508 Mn\n0.336648 0.166436 0.711015 Mn\n0.828063 0.169598 0.714806 Mn\n0.171937 0.341535 0.214806 Mn\n0.162964 0.822833 0.215508 Mn\n0.663352 0.829790 0.211015 Mn\n0.322442 0.646498 0.485337 W\n0.677558 0.324057 0.985337 W\n0.363542 0.211364 0.091838 O\n0.848958 0.683795 0.085418 O\n0.663701 0.325383 0.612193 O\n0.532523 0.025545 0.852382 O\n0.528331 0.477566 0.843910 O\n0.636458 0.847823 0.591839 O\n0.467477 0.493022 0.352382 O\n0.022541 0.500402 0.347526 O\n0.140782 0.346847 0.593882 O\n-0.001130 0.007508 0.803369 O\n0.001130 0.008638 0.303369 O\n0.336299 0.661683 0.112193 O\n0.977459 0.477860 0.847526 O\n0.151042 0.834837 0.585418 O\n0.471669 0.949236 0.343910 O\n0.859218 0.206066 0.093882 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"Mn",
"W",
"O"
],
"chemical_system": "Li-Mn-O-W",
"density": 5.721322812516068,
"density_atomic": 0.09833511624938021,
"volume": 284.7405999804925,
"volume_molar": 6.1240999041763535,
"formula_full": "Li4 Mn6 W2 O16",
"formula_reduced": "Li2Mn3WO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 3.5017356945812814,
"spacegroup": 9
},
{
"id": "jvasp-43389",
"created_at": "2022-09-04T14:36:13.290808Z",
"updated_at": "2022-09-04T14:36:13.290834Z",
"structure_string": "Li4 Mn1 W3 O12\n1.0\n0.000000 4.941456 -0.026173\n8.853891 0.000000 0.000000\n0.000000 -0.104899 -5.047017\nLi Mn W O\n4 1 3 12\ndirect\n0.000000 0.703895 0.000000 Li\n0.500000 0.833536 -0.000000 Li\n-0.000000 0.353019 0.500000 Li\n0.500000 0.196834 0.500000 Li\n0.000000 0.106346 0.000000 Mn\n0.500000 0.618334 0.500000 W\n0.500000 0.393925 -0.000000 W\n-0.000000 0.936705 0.500000 W\n0.804689 0.900265 0.187010 O\n0.292722 0.434067 0.312122 O\n0.227325 0.073403 0.343217 O\n0.256588 0.750873 0.348013 O\n0.743413 0.750873 0.651987 O\n0.295254 0.577170 0.810297 O\n0.707278 0.434067 0.687878 O\n0.195312 0.900265 0.812990 O\n0.704746 0.577170 0.189703 O\n0.262116 0.263465 0.835004 O\n0.772675 0.073403 0.656783 O\n0.737885 0.263465 0.164996 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"W",
"O"
],
"chemical_system": "Li-Mn-O-W",
"density": 6.212557374653413,
"density_atomic": 0.09056456738602414,
"volume": 220.83691864558483,
"volume_molar": 6.649555045441902,
"formula_full": "Li4 Mn1 W3 O12",
"formula_reduced": "Li4Mn(WO4)3",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 3.6552579620689656,
"spacegroup": 3
},
{
"id": "jvasp-44719",
"created_at": "2022-09-04T14:38:11.669969Z",
"updated_at": "2022-09-04T14:38:11.669986Z",
"structure_string": "Li4 Mn3 W1 O8\n1.0\n10.253169 -0.133538 -0.081696\n8.497156 5.739656 -0.081696\n13.623740 4.073331 2.492014\nLi Mn W O\n4 3 1 8\ndirect\n0.000001 0.000000 0.499999 Li\n0.000001 0.500001 0.499999 Li\n0.500001 0.000001 0.499999 Li\n0.500002 0.500002 0.499998 Li\n0.000000 0.500001 -0.000001 Mn\n0.500001 0.000000 -0.000001 Mn\n0.500001 0.500001 -0.000001 Mn\n0.000000 0.000000 0.000000 W\n0.000000 0.000000 0.263188 O\n0.000001 0.541364 0.225191 O\n0.541364 0.000001 0.225191 O\n0.000001 0.000001 0.736810 O\n0.458638 0.458638 0.307917 O\n0.000001 0.458638 0.774806 O\n0.458639 0.000001 0.774806 O\n0.541365 0.541365 0.692079 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Mn",
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"O"
],
"chemical_system": "Li-Mn-O-W",
"density": 5.348540424363798,
"density_atomic": 0.10216910956868307,
"volume": 156.60310702075776,
"volume_molar": 5.894287212077172,
"formula_full": "Li4 Mn3 W1 O8",
"formula_reduced": "Li4Mn3WO8",
"formula_anonymous": "AB3C4D8",
"energy_above_hull": 3.2058087327586207,
"spacegroup": 166
},
{
"id": "jvasp-44630",
"created_at": "2022-09-04T14:37:29.005441Z",
"updated_at": "2022-09-04T14:37:29.005468Z",
"structure_string": "Li4 Mn1 V2 W1 O12\n1.0\n5.003295 0.005577 0.000615\n-0.003991 5.316627 -0.023144\n-0.008746 -0.591833 7.259160\nLi Mn V W O\n4 1 2 1 12\ndirect\n0.001898 0.425291 0.312996 Li\n0.493004 0.904029 0.773533 Li\n0.012392 0.430810 0.762118 Li\n0.493397 0.928473 0.310585 Li\n0.499217 0.486028 0.507784 Mn\n-0.001340 0.986211 0.514410 V\n0.497733 0.464202 0.005524 V\n0.003208 0.977798 0.008405 W\n0.681775 0.196716 0.925759 O\n0.809464 0.327698 0.543108 O\n0.183514 0.333143 0.051607 O\n0.617432 0.514612 0.229930 O\n0.386693 0.531087 0.746145 O\n0.120592 0.030214 0.746126 O\n0.193426 0.725202 0.433898 O\n0.323719 0.834622 0.054476 O\n0.868783 0.018242 0.240698 O\n0.296483 0.218448 0.431310 O\n0.820617 0.695942 0.924117 O\n0.697992 0.828851 0.548681 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
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"Mn",
"V",
"W",
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],
"chemical_system": "Li-Mn-O-V-W",
"density": 4.820988658497793,
"density_atomic": 0.10361080601874965,
"volume": 193.03005901122663,
"volume_molar": 5.8122709313835665,
"formula_full": "Li4 Mn1 V2 W1 O12",
"formula_reduced": "Li4MnV2WO12",
"formula_anonymous": "ABC2D4E12",
"energy_above_hull": 3.206403382068965,
"spacegroup": 1
},
{
"id": "jvasp-43165",
"created_at": "2022-09-04T14:36:58.892235Z",
"updated_at": "2022-09-04T14:36:58.892256Z",
"structure_string": "Li2 Mn1 V3 O8\n1.0\n5.923361 0.079085 0.055921\n3.030169 5.090239 0.055921\n3.030169 1.749469 4.780484\nLi Mn V O\n2 1 3 8\ndirect\n0.119764 0.119764 0.119764 Li\n0.502949 0.502948 0.502948 Li\n0.874303 0.874303 0.874301 Mn\n0.020203 0.490531 0.490530 V\n0.490531 0.020202 0.490530 V\n0.490531 0.490531 0.020202 V\n0.252848 0.252847 0.252847 O\n0.252708 0.252708 0.716865 O\n0.252708 0.716866 0.252707 O\n0.716866 0.252707 0.252707 O\n0.285470 0.751397 0.751396 O\n0.751398 0.285469 0.751396 O\n0.751397 0.751397 0.285469 O\n0.738332 0.738331 0.738330 O\n",
"nsites": 14,
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"elements": [
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"Mn",
"V",
"O"
],
"chemical_system": "Li-Mn-O-V",
"density": 4.092696456748588,
"density_atomic": 0.09868875697359555,
"volume": 141.86013107598203,
"volume_molar": 6.102154839797243,
"formula_full": "Li2 Mn1 V3 O8",
"formula_reduced": "Li2MnV3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 3.183357702955665,
"spacegroup": 160
},
{
"id": "jvasp-40688",
"created_at": "2022-09-04T14:37:59.063689Z",
"updated_at": "2022-09-04T14:37:59.063735Z",
"structure_string": "Li3 Mn1 V3 O8\n1.0\n3.997977 -0.000100 0.000179\n-1.998907 5.977154 0.004453\n-0.000463 -1.905868 6.275021\nLi Mn V O\n3 1 3 8\ndirect\n0.937199 0.874394 0.638332 Li\n0.831153 0.662313 0.995266 Li\n0.061549 0.123093 0.363652 Li\n0.281929 0.563860 0.695892 Mn\n0.705161 0.410319 0.288205 V\n0.390111 0.780227 0.298242 V\n0.606848 0.213688 0.711817 V\n0.357359 0.714723 0.015023 O\n0.879981 0.759969 0.311311 O\n0.438393 0.876792 0.633977 O\n0.772361 0.544724 0.669172 O\n0.226997 0.453989 0.332750 O\n0.559993 0.119977 0.365605 O\n0.654671 0.309339 -0.000399 O\n0.109186 0.218367 0.675479 O\n",
"nsites": 15,
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],
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"density_atomic": 0.10001030136199315,
"volume": 149.9845495486172,
"volume_molar": 6.021520461379781,
"formula_full": "Li3 Mn1 V3 O8",
"formula_reduced": "Li3MnV3O8",
"formula_anonymous": "AB3C3D8",
"energy_above_hull": 3.049763856091954,
"spacegroup": 8
},
{
"id": "jvasp-46741",
"created_at": "2022-09-04T14:38:00.248048Z",
"updated_at": "2022-09-04T14:38:00.248076Z",
"structure_string": "Li4 Mn2 V2 O8\n1.0\n5.993303 -0.427543 0.026304\n-0.061954 6.008215 0.026304\n-2.953064 -2.778469 4.045033\nLi Mn V O\n4 2 2 8\ndirect\n0.000000 0.500000 0.499999 Li\n0.500000 0.500000 0.499999 Li\n0.500000 -0.000000 -0.000001 Li\n0.500000 0.500000 -0.000001 Li\n0.000000 0.500000 -0.000001 Mn\n0.500000 -0.000000 0.499999 Mn\n0.000000 -0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.230144 0.769870 0.014401 O\n0.238029 0.244142 0.491147 O\n0.230130 0.769855 0.485596 O\n0.755857 0.761971 0.008850 O\n0.244142 0.238029 -0.008852 O\n0.769869 0.230144 0.514401 O\n0.761970 0.755858 0.508850 O\n0.769855 0.230130 0.985596 O\n",
"nsites": 16,
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"elements": [
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],
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"density": 4.16591895030531,
"density_atomic": 0.10922014388850061,
"volume": 146.49312324962594,
"volume_molar": 5.513763803632975,
"formula_full": "Li4 Mn2 V2 O8",
"formula_reduced": "Li2MnVO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.5818394301724137,
"spacegroup": 74
},
{
"id": "jvasp-113243",
"created_at": "2022-09-04T14:38:47.596559Z",
"updated_at": "2022-09-04T14:38:47.596595Z",
"structure_string": "Li3 Mn1 V3 O8\n1.0\n4.986701 0.000049 2.862019\n-1.630576 4.849297 2.841023\n0.014949 0.046326 5.749153\nLi Mn V O\n3 1 3 8\ndirect\n0.501458 0.493743 0.502394 Li\n-0.003858 0.493756 0.502373 Li\n0.996197 0.493605 0.007605 Li\n0.503589 0.510799 -0.007177 Mn\n0.492803 -0.001037 0.493899 V\n0.013300 -0.001037 0.493901 V\n0.492835 0.998977 0.014334 V\n0.740326 0.220925 0.519350 O\n0.250089 0.750347 0.499822 O\n0.265754 0.257033 0.468492 O\n0.265817 0.257097 0.008689 O\n0.725495 0.257096 0.008689 O\n0.277678 0.756197 0.983092 O\n0.739230 0.756193 0.983096 O\n0.739276 0.756293 0.521448 O\n",
"nsites": 15,
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"elements": [
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],
"chemical_system": "Li-Mn-O-V",
"density": 4.292362679871203,
"density_atomic": 0.10873783549398387,
"volume": 137.946464833116,
"volume_molar": 5.538220190462763,
"formula_full": "Li3 Mn1 V3 O8",
"formula_reduced": "Li3MnV3O8",
"formula_anonymous": "AB3C3D8",
"energy_above_hull": 3.046088522758621,
"spacegroup": 160
},
{
"id": "jvasp-116768",
"created_at": "2022-09-04T14:38:45.509075Z",
"updated_at": "2022-09-04T14:38:45.509102Z",
"structure_string": "Li4 Mn2 V6 O16\n1.0\n5.778700 0.000311 -0.000032\n2.889117 4.892008 -1.668965\n0.000091 0.001266 10.009169\nLi Mn V O\n4 2 6 16\ndirect\n0.320251 0.359536 0.559925 Li\n0.820211 0.359535 0.059925 Li\n0.745697 0.508695 0.751444 Li\n0.245610 0.508695 0.251441 Li\n0.188609 0.622792 0.937137 Mn\n0.688603 0.622791 0.437136 Mn\n0.499341 0.001281 0.010198 V\n0.734438 0.001261 0.245195 V\n0.264373 0.001333 0.245250 V\n0.234308 0.001329 0.745239 V\n0.764312 0.001263 0.745207 V\n-0.000642 0.001281 0.510199 V\n0.120977 0.222210 0.626344 O\n0.338945 0.788252 0.375727 O\n0.838942 0.788301 0.875740 O\n0.872756 0.788303 0.375741 O\n0.372805 0.788254 0.875728 O\n0.620932 0.222232 0.126355 O\n0.156807 0.222212 0.126347 O\n0.620807 0.758407 0.126396 O\n0.388877 0.222240 0.358420 O\n0.888885 0.222238 0.858419 O\n0.892420 0.215209 0.369204 O\n0.392367 0.215209 0.869204 O\n0.605869 0.788265 0.642665 O\n0.120789 0.758407 0.626395 O\n0.656830 0.222233 0.626358 O\n0.105872 0.788265 0.142665 O\n",
"nsites": 28,
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"elements": [
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"O"
],
"chemical_system": "Li-Mn-O-V",
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"density_atomic": 0.09895500504287365,
"volume": 282.9568851809831,
"volume_molar": 6.0857363984679935,
"formula_full": "Li4 Mn2 V6 O16",
"formula_reduced": "Li2MnV3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 3.1822319886699506,
"spacegroup": 160
}
]
}