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"results": [
{
"id": "jvasp-47387",
"created_at": "2022-09-04T14:38:04.107858Z",
"updated_at": "2022-09-04T14:38:04.107887Z",
"structure_string": "Li4 Mn2 O4 F2\n1.0\n5.022078 0.001696 0.028799\n-2.362550 4.437314 -0.017017\n-1.046657 -1.687182 4.761235\nLi Mn O F\n4 2 4 2\ndirect\n0.411749 0.570453 0.491309 Li\n0.723573 0.259718 0.491202 Li\n0.583312 0.400381 0.990560 Li\n0.234464 0.748381 0.991553 Li\n0.096761 0.885660 0.491280 Mn\n0.902810 0.080493 0.991215 Mn\n0.272334 0.120258 0.256387 O\n0.511068 0.005778 0.743315 O\n0.862339 0.710702 0.726625 O\n0.977030 0.470814 0.238697 O\n0.182855 0.345019 0.745223 F\n0.639302 0.799946 0.238227 F\n",
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{
"id": "jvasp-36615",
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"updated_at": "2022-09-04T14:37:29.239339Z",
"structure_string": "Zn1 Si1 O3\n1.0\n3.537428 -0.000000 0.000000\n0.000000 3.537428 0.000000\n-0.000000 -0.000000 3.537428\nZn Si O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Si\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"elements": [
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],
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},
{
"id": "jvasp-8621",
"created_at": "2022-09-04T14:37:04.348692Z",
"updated_at": "2022-09-04T14:37:04.348708Z",
"structure_string": "Cr1 H1 O2\n1.0\n2.862219 -0.000191 3.890785\n1.276819 2.561646 3.890785\n-0.000309 -0.000191 4.830166\nCr H O\n1 1 2\ndirect\n0.002329 0.002329 0.002329 Cr\n0.513904 0.513906 0.513905 H\n0.405357 0.405358 0.405357 O\n0.591810 0.591812 0.591811 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
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],
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"density": 3.985032292146585,
"density_atomic": 0.11292999342019878,
"volume": 35.42017385156914,
"volume_molar": 5.332631816945518,
"formula_full": "Cr1 H1 O2",
"formula_reduced": "CrHO2",
"formula_anonymous": "ABC2",
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"spacegroup": 160
},
{
"id": "jvasp-48390",
"created_at": "2022-09-04T14:35:53.228037Z",
"updated_at": "2022-09-04T14:35:53.228061Z",
"structure_string": "Li4 Co3 O3 F4\n1.0\n0.000000 -2.050558 -2.050558\n0.000000 2.050558 -2.050558\n14.741694 -0.000000 2.050558\nLi Co O F\n4 3 3 4\ndirect\n0.219370 0.219370 0.438739 Li\n0.788089 0.788089 0.576177 Li\n0.354768 0.354768 0.709538 Li\n0.923488 0.923488 0.846974 Li\n0.498458 0.498458 0.996913 Co\n0.071429 0.071429 0.142857 Co\n0.644401 0.644401 0.288800 Co\n0.995471 0.995471 0.990939 O\n0.571430 0.571430 0.142857 O\n0.147387 0.147387 0.294775 O\n0.721034 0.721034 0.442068 F\n0.287671 0.287671 0.575342 F\n0.855187 0.855187 0.710371 F\n0.421823 0.421823 0.843647 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 4.400846295768031,
"density_atomic": 0.11292927299323685,
"volume": 123.97139934513204,
"volume_molar": 5.332665836218265,
"formula_full": "Li4 Co3 O3 F4",
"formula_reduced": "Li4Co3O3F4",
"formula_anonymous": "A3B3C4D4",
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"spacegroup": 139
},
{
"id": "jvasp-18407",
"created_at": "2022-09-04T14:36:20.125924Z",
"updated_at": "2022-09-04T14:36:20.125949Z",
"structure_string": "U2 H6\n1.0\n4.138142 0.000000 -0.000000\n0.000000 4.138142 -0.000000\n-0.000000 -0.000000 4.138142\nU H\n2 6\ndirect\n0.500000 0.500000 0.500000 U\n0.000000 0.000000 0.000000 U\n0.500000 0.250000 0.000000 H\n0.500000 0.750000 0.000000 H\n0.250000 0.000000 0.500000 H\n0.750000 0.000000 0.500000 H\n0.000000 0.500000 0.250000 H\n0.000000 0.500000 0.750000 H\n",
"nsites": 8,
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"elements": [
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],
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"volume": 70.86245073906277,
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"formula_full": "U2 H6",
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},
{
"id": "jvasp-18399",
"created_at": "2022-09-04T14:38:13.900873Z",
"updated_at": "2022-09-04T14:38:13.900893Z",
"structure_string": "H1 Pd1\n1.0\n2.534121 0.000000 1.463076\n0.844707 2.389192 1.463076\n-0.000000 -0.000000 2.926151\nH Pd\n1 1\ndirect\n0.000000 0.000000 0.000000 H\n0.500001 0.500000 0.500001 Pd\n",
"nsites": 2,
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"elements": [
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],
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"density": 10.069112939341116,
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"volume": 17.716385970543485,
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"formula_full": "H1 Pd1",
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"formula_anonymous": "AB",
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"spacegroup": 225
},
{
"id": "jvasp-52438",
"created_at": "2022-09-04T14:37:27.240536Z",
"updated_at": "2022-09-04T14:37:27.240565Z",
"structure_string": "Mn2 P2 H12 N2 O10\n1.0\n4.848584 0.000000 0.000000\n0.000000 5.746654 0.000000\n0.000000 0.000000 8.901829\nMn P H N O\n2 2 12 2 10\ndirect\n0.530861 0.500000 0.025838 Mn\n0.030861 0.000000 0.974162 Mn\n0.092914 0.500000 0.800716 P\n0.592913 0.000000 0.199285 P\n0.580535 0.137195 0.803483 H\n0.580535 0.862804 0.803483 H\n0.080536 0.637195 0.196517 H\n0.137629 0.149145 0.591914 H\n0.137629 0.850854 0.591914 H\n0.080536 0.362805 0.196517 H\n0.637629 0.649145 0.408086 H\n0.964975 0.000000 0.456590 H\n0.464975 0.500000 0.543410 H\n0.324407 0.000000 0.461458 H\n0.824406 0.500000 0.538542 H\n0.637629 0.350854 0.408086 H\n0.641670 0.500000 0.473817 N\n0.141670 0.000000 0.526183 N\n0.738584 0.216357 0.126118 O\n0.738584 0.783643 0.126118 O\n0.238585 0.283643 0.873882 O\n0.238585 0.716356 0.873882 O\n0.783288 0.500000 0.833953 O\n0.141706 0.500000 0.628662 O\n0.283289 0.000000 0.166047 O\n0.202177 0.500000 0.209135 O\n0.641706 0.000000 0.371338 O\n0.702177 0.000000 0.790865 O\n",
"nsites": 28,
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"elements": [
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"P",
"H",
"N",
"O"
],
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"density": 2.489985162470236,
"density_atomic": 0.11288826813328168,
"volume": 248.03285995088316,
"volume_molar": 5.334602841891375,
"formula_full": "Mn2 P2 H12 N2 O10",
"formula_reduced": "MnPH6NO5",
"formula_anonymous": "ABCD5E6",
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"spacegroup": 31
},
{
"id": "jvasp-46867",
"created_at": "2022-09-04T14:38:08.602573Z",
"updated_at": "2022-09-04T14:38:08.602607Z",
"structure_string": "Li3 Ni4 O4 F3\n1.0\n-0.000000 -2.041725 -2.041725\n0.000000 2.041725 -2.041725\n14.875306 0.000000 2.041725\nLi Ni O F\n3 4 4 3\ndirect\n0.496469 0.496469 0.992939 Li\n0.360674 0.360674 0.721346 Li\n0.928570 0.928570 0.857143 Li\n0.070095 0.070095 0.140189 Ni\n0.641522 0.641522 0.283047 Ni\n0.215619 0.215619 0.431238 Ni\n0.787047 0.787047 0.574096 Ni\n0.569188 0.569188 0.138379 O\n0.141681 0.141681 0.283361 O\n0.715461 0.715461 0.430926 O\n0.287954 0.287954 0.575907 O\n0.994694 0.994694 0.989392 F\n0.862446 0.862446 0.724895 F\n0.428571 0.428571 0.857143 F\n",
"nsites": 14,
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"elements": [
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"O",
"F"
],
"chemical_system": "F-Li-Ni-O",
"density": 5.042278193830692,
"density_atomic": 0.11288536421643663,
"volume": 124.01962023312085,
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"formula_full": "Li3 Ni4 O4 F3",
"formula_reduced": "Li3Ni4O4F3",
"formula_anonymous": "A3B3C4D4",
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"spacegroup": 139
},
{
"id": "jvasp-112279",
"created_at": "2022-09-04T14:38:26.217049Z",
"updated_at": "2022-09-04T14:38:26.217083Z",
"structure_string": "Li8 Mn6 O14\n1.0\n4.838036 0.014506 1.205296\n1.134024 6.745360 0.811577\n-0.008598 0.009997 7.603250\nLi Mn O\n8 6 14\ndirect\n0.707826 0.060323 0.568821 Li\n0.837607 0.762665 0.285505 Li\n0.577770 0.354997 0.849204 Li\n0.422229 0.645004 0.150797 Li\n0.292174 0.939678 0.431180 Li\n0.162392 0.237336 0.714496 Li\n-0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.646834 0.235364 0.222392 Mn\n0.353165 0.764637 0.777609 Mn\n0.783047 0.925514 0.927492 Mn\n0.073228 0.370852 0.359188 Mn\n0.926771 0.629149 0.640813 Mn\n0.216953 0.074487 0.072509 Mn\n0.392177 0.220052 0.450472 O\n0.531878 0.926741 0.164189 O\n0.668514 0.639742 0.873127 O\n0.975168 0.103440 0.317371 O\n0.845513 0.378961 0.599076 O\n0.900076 0.211662 0.981283 O\n0.024831 0.896561 0.682630 O\n0.331485 0.360259 0.126874 O\n0.468122 0.073260 0.835812 O\n0.773635 0.491580 0.255632 O\n0.607823 0.779949 0.549529 O\n0.226364 0.508421 0.744369 O\n0.154487 0.621040 0.400925 O\n0.099924 0.788339 0.018718 O\n",
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],
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"density_atomic": 0.11288236140089938,
"volume": 248.04583862804373,
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"formula_full": "Li8 Mn6 O14",
"formula_reduced": "Li4Mn3O7",
"formula_anonymous": "A3B4C7",
"energy_above_hull": 2.7080311588669947,
"spacegroup": 2
},
{
"id": "jvasp-118996",
"created_at": "2022-09-04T14:38:32.019774Z",
"updated_at": "2022-09-04T14:38:32.019805Z",
"structure_string": "Li7 Mn4 Co1 O12\n1.0\n2.830087 0.000000 0.000000\n-0.000000 5.604808 1.257131\n-0.000000 -0.058381 13.391044\nLi Mn Co O\n7 4 1 12\ndirect\n0.500000 0.834581 0.822624 Li\n0.500000 0.490457 0.524851 Li\n0.500000 0.175673 0.155310 Li\n0.000000 0.164982 0.664734 Li\n0.000000 0.819334 0.352298 Li\n0.000000 0.509327 0.980914 Li\n0.000000 0.665818 0.669705 Li\n0.000000 0.009258 0.990275 Mn\n0.500000 0.985971 0.516863 Mn\n0.000000 0.329797 0.342589 Mn\n0.500000 0.664668 0.160904 Mn\n0.500000 0.358243 0.811327 Co\n0.500000 0.778772 0.991213 O\n0.500000 0.406082 0.673392 O\n0.500000 0.094475 0.349348 O\n0.000000 0.095977 0.847277 O\n0.000000 0.769566 0.504242 O\n0.000000 0.434176 0.165314 O\n0.500000 0.921276 0.652918 O\n0.500000 0.563567 0.335645 O\n0.500000 0.227717 0.001134 O\n0.000000 0.223045 0.506760 O\n0.000000 0.903269 0.149054 O\n0.000000 0.573978 0.831303 O\n",
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],
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"volume": 212.61770948884038,
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"formula_full": "Li7 Mn4 Co1 O12",
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},
{
"id": "jvasp-44730",
"created_at": "2022-09-04T14:38:12.537490Z",
"updated_at": "2022-09-04T14:38:12.537510Z",
"structure_string": "Li4 Fe5 Co3 O16\n1.0\n5.622854 0.005379 0.033894\n-2.800426 4.857887 0.000283\n-0.039746 -0.023645 9.076609\nLi Fe Co O\n4 5 3 16\ndirect\n0.663554 0.331783 0.105568 Li\n0.997469 0.998741 0.001622 Li\n0.999459 0.999748 0.503673 Li\n0.333363 0.666696 0.607571 Li\n0.668219 0.334125 0.513416 Fe\n0.343579 0.171799 0.788849 Fe\n0.332487 0.666252 0.008291 Fe\n0.170126 0.825241 0.286558 Fe\n0.170127 0.344912 0.286557 Fe\n0.659146 0.829586 0.287926 Co\n0.827697 0.657784 0.788253 Co\n0.827697 0.169934 0.788253 Co\n0.664068 0.832045 0.901750 O\n0.169949 0.834787 0.898402 O\n0.333693 0.666860 0.397866 O\n0.476815 0.519797 0.158580 O\n0.476811 0.957038 0.158578 O\n0.334731 0.167380 0.398357 O\n0.520834 0.042098 0.657459 O\n0.958772 0.479393 0.659101 O\n0.836543 0.172231 0.400179 O\n0.002123 0.001076 0.193334 O\n0.002209 0.001110 0.694543 O\n0.665431 0.332731 0.897166 O\n0.037765 0.518897 0.154244 O\n0.836544 0.664344 0.400183 O\n0.520829 0.478757 0.657463 O\n0.169946 0.335178 0.898406 O\n",
"nsites": 28,
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],
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"density": 4.951860011067761,
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"volume": 248.0748451080124,
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"formula_full": "Li4 Fe5 Co3 O16",
"formula_reduced": "Li4Fe5Co3O16",
"formula_anonymous": "A3B4C5D16",
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"spacegroup": 8
},
{
"id": "jvasp-93476",
"created_at": "2022-09-04T14:36:21.778301Z",
"updated_at": "2022-09-04T14:36:21.778322Z",
"structure_string": "Li2 V1 O2 F1\n1.0\n-0.000004 -2.014115 -2.014074\n-2.066642 2.185754 -4.199899\n4.133213 0.000033 -0.000025\nLi V O F\n2 1 2 1\ndirect\n0.692543 0.614936 0.307426 Li\n0.307461 0.385062 0.692573 Li\n0.000000 0.000000 0.000000 V\n0.346369 0.307254 0.153614 O\n0.653635 0.692744 0.846386 O\n0.000001 0.000000 0.500000 F\n",
"nsites": 6,
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"elements": [
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],
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"density_atomic": 0.11286906790209136,
"volume": 53.158939925017535,
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"formula_full": "Li2 V1 O2 F1",
"formula_reduced": "Li2VO2F",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 1.502981913750001,
"spacegroup": 71
}
]
}