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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=318",
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"results": [
{
"id": "jvasp-40991",
"created_at": "2022-09-04T14:37:57.430102Z",
"updated_at": "2022-09-04T14:37:57.430126Z",
"structure_string": "Li6 Mn2 P4 O16\n1.0\n0.000000 4.759844 0.001694\n9.059485 0.000000 0.000000\n0.000000 -4.318854 -6.417132\nLi Mn P O\n6 2 4 16\ndirect\n0.336499 0.131255 0.332143 Li\n0.000000 0.500000 0.000000 Li\n0.663501 0.631256 0.167858 Li\n0.000000 0.000000 0.500000 Li\n0.336499 0.368745 0.832143 Li\n0.663502 0.868745 0.667858 Li\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.167521 0.822015 0.192189 P\n0.832479 0.322015 0.307812 P\n0.167522 0.677986 0.692189 P\n0.832479 0.177985 0.807812 P\n0.465595 0.651232 0.662308 O\n0.827328 0.879642 0.992336 O\n0.534405 0.151232 0.837692 O\n0.172673 0.379642 0.507664 O\n0.754295 0.407360 0.116540 O\n0.874349 0.154792 0.291787 O\n0.125651 0.845209 0.708213 O\n0.754295 0.092640 0.616539 O\n0.827327 0.620359 0.492336 O\n0.465595 0.848769 0.162308 O\n0.172673 0.120359 0.007664 O\n0.534405 0.348768 0.337693 O\n0.245705 0.907360 0.383461 O\n0.874349 0.345209 0.791787 O\n0.245706 0.592640 0.883461 O\n0.125651 0.654792 0.208213 O\n",
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],
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"formula_full": "Li6 Mn2 P4 O16",
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{
"id": "jvasp-102166",
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"structure_string": "V3 Ni1 O6\n1.0\n4.442796 0.037611 3.195001\n1.658116 4.121954 3.195001\n0.055165 0.037611 5.472059\nV Ni O\n3 1 6\ndirect\n0.649984 0.649980 0.649981 V\n0.845847 0.845843 0.845843 V\n0.346971 0.346969 0.346969 V\n0.145804 0.145803 0.145803 Ni\n0.931412 0.581958 0.249552 O\n0.249555 0.931409 0.581958 O\n0.581961 0.249552 0.931410 O\n0.730232 0.066496 0.451753 O\n0.451755 0.730230 0.066496 O\n0.066498 0.451753 0.730231 O\n",
"nsites": 10,
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"elements": [
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],
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"density": 5.167680542463699,
"density_atomic": 0.10120017065932911,
"volume": 98.81406261322498,
"volume_molar": 5.950721941242943,
"formula_full": "V3 Ni1 O6",
"formula_reduced": "V3NiO6",
"formula_anonymous": "AB3C6",
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"spacegroup": 146
},
{
"id": "jvasp-91718",
"created_at": "2022-09-04T14:35:41.561341Z",
"updated_at": "2022-09-04T14:35:41.561369Z",
"structure_string": "Mg3 Ti1 O4\n1.0\n4.291799 -0.000000 0.000000\n0.000000 4.291799 0.000000\n-0.000000 0.000000 4.291799\nMg Ti O\n3 1 4\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Ti\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
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],
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"density_atomic": 0.10119798479768011,
"volume": 79.05295758600317,
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"formula_full": "Mg3 Ti1 O4",
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"formula_anonymous": "AB3C4",
"energy_above_hull": 1.2464299354166668,
"spacegroup": 221
},
{
"id": "jvasp-117279",
"created_at": "2022-09-04T14:38:47.256472Z",
"updated_at": "2022-09-04T14:38:47.256494Z",
"structure_string": "Li4 Ni6 Sn2 O16\n1.0\n5.806654 0.000000 0.000000\n-2.903327 5.028710 0.000000\n-0.000000 -0.000000 9.476511\nLi Ni Sn O\n4 6 2 16\ndirect\n0.333333 0.666667 0.893032 Li\n0.000000 0.000000 0.995125 Li\n0.000000 0.000000 0.495125 Li\n0.666666 0.333333 0.393032 Li\n0.830307 0.660617 0.715004 Ni\n0.339383 0.169692 0.715004 Ni\n0.830307 0.169692 0.715004 Ni\n0.169692 0.339383 0.215004 Ni\n0.169692 0.830308 0.215004 Ni\n0.660616 0.830308 0.215004 Ni\n0.333333 0.666667 0.493425 Sn\n0.666666 0.333333 0.993425 Sn\n0.312689 0.156344 0.102418 O\n0.843655 0.687311 0.102418 O\n0.666666 0.333333 0.611160 O\n0.515582 0.031165 0.833308 O\n0.515582 0.484417 0.833308 O\n0.687310 0.843656 0.602418 O\n0.484417 0.515583 0.333308 O\n0.031165 0.515583 0.333308 O\n0.156344 0.312689 0.602418 O\n0.000000 0.000000 0.806256 O\n0.000000 0.000000 0.306256 O\n0.333333 0.666667 0.111160 O\n0.968834 0.484417 0.833308 O\n0.156344 0.843656 0.602418 O\n0.484417 0.968835 0.333308 O\n0.843655 0.156344 0.102418 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 5.240815280712898,
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"formula_full": "Li4 Ni6 Sn2 O16",
"formula_reduced": "Li2Ni3SnO8",
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"spacegroup": 186
},
{
"id": "jvasp-42158",
"created_at": "2022-09-04T14:36:36.697968Z",
"updated_at": "2022-09-04T14:36:36.697995Z",
"structure_string": "Li2 Mn2 Si2 O8\n1.0\n2.753108 4.035830 0.000000\n-2.753108 4.035830 0.000000\n0.000000 0.000000 6.226160\nLi Mn Si O\n2 2 2 8\ndirect\n0.327466 0.327466 0.750000 Li\n0.672535 0.672535 0.250000 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.346907 0.346907 0.250000 Si\n0.653093 0.653093 0.750000 Si\n0.286548 0.763890 0.750000 O\n0.236110 0.713452 0.250000 O\n0.232134 0.232134 0.033665 O\n0.232134 0.232134 0.466335 O\n0.767866 0.767866 0.533665 O\n0.767866 0.767866 0.966335 O\n0.763890 0.286548 0.750000 O\n0.713452 0.236110 0.250000 O\n",
"nsites": 14,
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"elements": [
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"Si",
"O"
],
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"density": 3.6956144863201863,
"density_atomic": 0.10118628476697568,
"volume": 138.35867214851237,
"volume_molar": 5.951538564607379,
"formula_full": "Li2 Mn2 Si2 O8",
"formula_reduced": "LiMnSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.5463599773399013,
"spacegroup": 63
},
{
"id": "jvasp-65219",
"created_at": "2022-09-04T14:35:41.834246Z",
"updated_at": "2022-09-04T14:35:41.834271Z",
"structure_string": "Mn1 Be1 Co1\n1.0\n1.220159 -2.113377 0.000000\n1.220159 2.113377 -0.000000\n0.000000 -0.000000 5.748827\nMn Be Co\n1 1 1\ndirect\n0.666668 0.333333 0.332389 Mn\n0.000000 0.000000 0.994987 Be\n0.333333 0.666668 0.672626 Co\n",
"nsites": 3,
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"elements": [
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"Be",
"Co"
],
"chemical_system": "Be-Co-Mn",
"density": 6.882397541973033,
"density_atomic": 0.10118557760792841,
"volume": 29.648494092946052,
"volume_molar": 5.9515801583249885,
"formula_full": "Mn1 Be1 Co1",
"formula_reduced": "MnBeCo",
"formula_anonymous": "ABC",
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"spacegroup": 156
},
{
"id": "jvasp-85710",
"created_at": "2022-09-04T14:36:12.225171Z",
"updated_at": "2022-09-04T14:36:12.225189Z",
"structure_string": "Li2 H2 Pd1\n1.0\n-1.553122 1.553122 5.121365\n1.553122 -1.553122 5.121365\n1.553122 1.553122 -5.121365\nLi H Pd\n2 2 1\ndirect\n0.645960 0.645960 0.000000 Li\n0.354041 0.354041 0.000000 Li\n0.835047 0.835047 0.000000 H\n0.164954 0.164954 0.000000 H\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 5,
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"elements": [
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"H",
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],
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"density": 4.110381944905706,
"density_atomic": 0.10118430215655692,
"volume": 49.4147796983743,
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"formula_full": "Li2 H2 Pd1",
"formula_reduced": "Li2H2Pd",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.65225714,
"spacegroup": 139
},
{
"id": "jvasp-120580",
"created_at": "2022-09-04T14:38:46.526563Z",
"updated_at": "2022-09-04T14:38:46.526586Z",
"structure_string": "Li4 Ti3 V3 O12\n1.0\n4.940631 0.000521 1.131918\n1.489398 5.640553 1.248306\n-0.014172 -0.019128 7.796165\nLi Ti V O\n4 3 3 12\ndirect\n0.502149 0.165014 0.334444 Li\n0.497852 0.834985 0.665557 Li\n0.993558 0.334485 0.166004 Li\n0.006443 0.665513 0.833998 Li\n0.516392 0.329752 0.667265 Ti\n0.500000 -0.000000 0.000000 Ti\n0.483609 0.670246 0.332737 Ti\n0.000000 0.500000 0.500001 V\n0.994510 0.170795 0.829045 V\n0.005491 0.829204 0.170956 V\n0.264159 0.989218 0.239107 O\n0.257353 0.313003 0.906396 O\n0.746196 0.811852 0.408347 O\n0.760753 0.141353 0.078325 O\n0.253805 0.188147 0.591655 O\n0.757668 0.491834 0.739076 O\n0.735842 0.010781 0.760895 O\n0.733001 0.357316 0.420459 O\n0.266999 0.642683 0.579542 O\n0.742648 0.686996 0.093605 O\n0.242332 0.508165 0.260925 O\n0.239248 0.858646 0.921676 O\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "Li-O-Ti-V",
"density": 3.9420951251570684,
"density_atomic": 0.10118067556880829,
"volume": 217.4328237711639,
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"formula_full": "Li4 Ti3 V3 O12",
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"formula_anonymous": "A3B3C4D12",
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},
{
"id": "jvasp-22557",
"created_at": "2022-09-04T14:35:48.676945Z",
"updated_at": "2022-09-04T14:35:48.676974Z",
"structure_string": "Cr1 Cu1 O2\n1.0\n2.876673 0.139342 5.610588\n1.463730 2.480355 5.610587\n0.230866 0.139342 6.300845\nCr Cu O\n1 1 2\ndirect\n0.500001 0.499999 0.500001 Cr\n0.000000 0.000000 0.000000 Cu\n0.897213 0.897204 0.897210 O\n0.102790 0.102791 0.102790 O\n",
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],
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"density": 6.196887435313952,
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"volume": 39.53556215579566,
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"formula_full": "Cr1 Cu1 O2",
"formula_reduced": "CrCuO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9443087125,
"spacegroup": 166
},
{
"id": "jvasp-111127",
"created_at": "2022-09-04T14:38:46.521452Z",
"updated_at": "2022-09-04T14:38:46.521478Z",
"structure_string": "Co1 Ni1 N1\n1.0\n2.840164 -0.461298 0.000000\n-1.832729 3.155318 0.000000\n-0.000000 0.000000 3.653946\nCo Ni N\n1 1 1\ndirect\n0.862980 0.931547 0.500001 Co\n0.785248 0.392654 -0.000000 Ni\n0.685101 0.342599 0.500001 N\n",
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"formula_full": "Co1 Ni1 N1",
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},
{
"id": "jvasp-104164",
"created_at": "2022-09-04T14:36:58.407127Z",
"updated_at": "2022-09-04T14:36:58.407154Z",
"structure_string": "H5 C6 S1 N1 O1\n1.0\n3.952645 -0.061503 -0.113383\n-2.398073 5.413692 -1.017654\n-0.086849 -0.004689 6.516146\nH C S N O\n5 6 1 1 1\ndirect\n0.863478 0.158449 0.026278 H\n0.469443 0.370324 0.814763 H\n0.136795 0.360977 0.453107 H\n0.515764 0.180471 0.180653 H\n0.227743 0.707873 0.911749 H\n0.288362 0.202096 0.703735 C\n0.106323 0.195409 0.512209 C\n0.881033 0.956148 0.400901 C\n0.201820 0.962362 0.741814 C\n0.597326 0.047782 0.081484 C\n0.644523 0.864915 0.208182 C\n0.898391 0.732467 0.537538 S\n0.312361 0.892979 0.908478 N\n0.464775 0.634599 0.138151 O\n",
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},
{
"id": "jvasp-45057",
"created_at": "2022-09-04T14:38:05.556590Z",
"updated_at": "2022-09-04T14:38:05.556619Z",
"structure_string": "Li4 Mn1 Cr5 O12\n1.0\n2.507596 4.355804 0.040889\n-2.500777 4.339376 0.020445\n0.040008 0.069495 9.988542\nLi Mn Cr O\n4 1 5 12\ndirect\n0.148682 0.499325 0.746916 Li\n0.351992 0.499325 0.253085 Li\n0.648008 0.500674 0.746916 Li\n0.851317 0.500674 0.253085 Li\n0.000000 0.000000 0.000000 Mn\n0.160508 0.678984 0.500000 Cr\n0.663242 0.673517 0.000000 Cr\n0.336758 0.326483 0.000000 Cr\n0.839492 0.321015 0.500000 Cr\n0.500000 -0.000001 0.500000 Cr\n0.997757 0.334140 0.895012 O\n0.319800 -0.000000 0.099812 O\n0.668102 0.334141 0.104988 O\n0.834587 0.655456 0.607654 O\n0.162190 -0.000001 0.604797 O\n0.002243 0.665859 0.104989 O\n0.509955 0.655456 0.392346 O\n0.165413 0.344543 0.392346 O\n0.331898 0.665858 0.895012 O\n0.680200 -0.000002 0.900188 O\n0.490045 0.344543 0.607654 O\n0.837810 -0.000001 0.395203 O\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "Cr-Li-Mn-O",
"density": 4.082454861100309,
"density_atomic": 0.10115906732608829,
"volume": 217.47926885370106,
"volume_molar": 5.953139860994871,
"formula_full": "Li4 Mn1 Cr5 O12",
"formula_reduced": "Li4MnCr5O12",
"formula_anonymous": "AB4C5D12",
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"spacegroup": 12
}
]
}