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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=4585",
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"results": [
{
"id": "jvasp-120590",
"created_at": "2022-09-04T14:38:47.142012Z",
"updated_at": "2022-09-04T14:38:47.142022Z",
"structure_string": "Li4 V4 Si4 O16\n1.0\n8.975454 -0.017782 -2.244015\n0.547678 5.231879 -1.621397\n0.023403 -0.092352 6.353952\nLi V Si O\n4 4 4 16\ndirect\n0.140800 0.179716 0.373687 Li\n0.217165 0.683761 0.430604 Li\n0.782834 0.316238 0.569396 Li\n0.859202 0.820280 0.626313 Li\n0.208896 0.703690 0.927379 V\n0.424938 0.203020 0.158963 V\n0.575060 0.796982 0.841034 V\n0.791103 0.296312 0.072624 V\n0.906874 0.839357 0.175082 Si\n0.537616 0.676158 0.296795 Si\n0.462383 0.323843 0.703205 Si\n0.093125 0.160642 0.824918 Si\n0.920783 0.252639 0.855361 O\n0.790463 0.885138 0.941371 O\n0.554607 0.871832 0.157887 O\n0.616782 0.373894 0.225075 O\n0.615215 0.792583 0.556135 O\n0.638396 0.398736 0.779167 O\n0.361603 0.601266 0.220833 O\n0.094423 0.855226 0.670352 O\n0.383217 0.626109 0.774923 O\n0.445391 0.128169 0.842113 O\n0.209537 0.114862 0.058630 O\n0.079218 0.747363 0.144640 O\n0.905576 0.144775 0.329648 O\n0.151502 0.358831 0.726368 O\n0.384783 0.207419 0.443864 O\n0.848498 0.641171 0.273634 O\n",
"nsites": 28,
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"elements": [
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"O"
],
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"density_atomic": 0.09412434643661677,
"volume": 297.4788251927483,
"volume_molar": 6.398069137250587,
"formula_full": "Li4 V4 Si4 O16",
"formula_reduced": "LiVSiO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 2
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{
"id": "jvasp-111924",
"created_at": "2022-09-04T14:38:41.411854Z",
"updated_at": "2022-09-04T14:38:41.411879Z",
"structure_string": "Li4 Ti4 Co4 O16\n1.0\n5.904391 0.000143 -0.000081\n-0.000378 8.244437 0.000067\n0.000027 -0.000030 5.904419\nLi Ti Co O\n4 4 4 16\ndirect\n0.227047 -0.000001 0.000000 Li\n0.772950 0.500002 -0.000000 Li\n0.000001 0.249999 0.227051 Li\n-0.000000 0.750001 0.772952 Li\n0.500000 0.249998 0.223309 Ti\n0.223310 -0.000002 0.500002 Ti\n0.776691 0.500005 0.500001 Ti\n0.499999 0.750000 0.776688 Ti\n0.744114 0.875000 0.255883 Co\n0.255884 0.625000 0.255881 Co\n0.744121 0.125000 0.744118 Co\n0.255881 0.375001 0.744118 Co\n0.737064 0.737915 0.513279 O\n0.262936 0.762085 0.513275 O\n0.737066 0.262084 0.486723 O\n0.262937 0.237916 0.486724 O\n0.513277 0.487916 0.262935 O\n0.486722 0.012083 0.262936 O\n0.736549 0.754898 0.989537 O\n0.736548 0.245105 0.010468 O\n0.989534 0.495104 0.736550 O\n0.010468 0.004898 0.736546 O\n0.989532 0.504896 0.263454 O\n0.010466 0.995104 0.263451 O\n0.513276 0.512085 0.737064 O\n0.263449 0.254895 0.010468 O\n0.263454 0.745103 0.989534 O\n0.486725 0.987917 0.737065 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Co",
"O"
],
"chemical_system": "Co-Li-O-Ti",
"density": 4.107504400723132,
"density_atomic": 0.09741924253180435,
"volume": 287.417549883524,
"volume_molar": 6.181674793903224,
"formula_full": "Li4 Ti4 Co4 O16",
"formula_reduced": "LiTiCoO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 95
},
{
"id": "jvasp-112383",
"created_at": "2022-09-04T14:38:40.170870Z",
"updated_at": "2022-09-04T14:38:40.170889Z",
"structure_string": "Ag2 Hg2 As2 O8\n1.0\n6.756439 0.163230 4.529772\n4.592867 5.022784 1.560869\n-0.049446 0.111060 6.090641\nAg Hg As O\n2 2 2 8\ndirect\n0.699728 0.800272 0.699727 Ag\n0.449728 0.550272 0.449727 Ag\n0.055259 0.444741 0.055259 Hg\n0.805259 0.194741 0.805258 Hg\n0.377935 0.122065 0.377935 As\n0.127936 0.872064 0.127934 As\n0.048079 0.291909 0.491581 O\n0.388074 0.262137 0.564345 O\n0.491582 0.168431 0.048078 O\n0.564346 0.785443 0.388073 O\n0.464556 0.685655 0.987863 O\n0.081569 0.758418 0.958091 O\n0.987864 0.861925 0.464555 O\n0.958091 0.201921 0.081568 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ag",
"Hg",
"As",
"O"
],
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"density": 7.269726666121199,
"density_atomic": 0.06850038043867573,
"volume": 204.37842695681607,
"volume_molar": 8.791397538866605,
"formula_full": "Ag2 Hg2 As2 O8",
"formula_reduced": "AgHgAsO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.519592515714285,
"spacegroup": 43
},
{
"id": "jvasp-113189",
"created_at": "2022-09-04T14:38:46.218958Z",
"updated_at": "2022-09-04T14:38:46.218989Z",
"structure_string": "K4 Sr4 V4 O16\n1.0\n5.850017 -0.000000 0.000000\n0.000000 7.462465 0.000000\n-0.000000 -0.000000 9.967952\nK Sr V O\n4 4 4 16\ndirect\n0.484735 0.093534 0.577954 K\n0.515265 0.593534 0.922045 K\n0.015265 0.906465 0.077955 K\n0.984736 0.406465 0.422045 K\n0.978445 0.248897 0.801900 Sr\n0.478445 0.251103 0.198100 Sr\n0.521556 0.751103 0.301900 Sr\n0.021556 0.748896 0.698100 Sr\n0.514874 0.024572 0.915747 V\n0.985127 0.975428 0.415747 V\n0.014874 0.475428 0.084253 V\n0.485127 0.524572 0.584253 V\n0.431363 0.749365 0.563396 O\n0.239358 0.016977 0.330823 O\n0.492821 0.427698 0.425919 O\n0.007179 0.572302 0.925918 O\n0.756280 0.058628 0.325636 O\n0.992821 0.072302 0.574081 O\n0.260643 0.983022 0.830822 O\n0.243721 0.558628 0.174364 O\n0.568637 0.249365 0.936604 O\n0.743721 0.941371 0.825636 O\n0.068637 0.250635 0.063396 O\n0.256279 0.441371 0.674364 O\n0.739358 0.483022 0.669177 O\n0.507180 0.927697 0.074081 O\n0.760643 0.516977 0.169177 O\n0.931364 0.750634 0.436604 O\n",
"nsites": 28,
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"elements": [
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"Sr",
"V",
"O"
],
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"density_atomic": 0.06434468186460321,
"volume": 435.1563981452077,
"volume_molar": 9.359189579446586,
"formula_full": "K4 Sr4 V4 O16",
"formula_reduced": "KSrVO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 19
},
{
"id": "jvasp-116857",
"created_at": "2022-09-04T14:38:48.543909Z",
"updated_at": "2022-09-04T14:38:48.543927Z",
"structure_string": "Li4 Ni4 P4 O16\n1.0\n5.153806 -0.003352 -0.038404\n1.556284 7.321127 -0.440305\n-0.021774 -0.137452 8.024521\nLi Ni P O\n4 4 4 16\ndirect\n0.292979 0.185430 0.899278 Li\n0.310389 0.676477 0.576996 Li\n0.689611 0.323523 0.423004 Li\n0.707021 0.814571 0.100721 Li\n0.147181 0.943386 0.310694 Ni\n0.188060 0.458183 0.217285 Ni\n0.811940 0.541819 0.782715 Ni\n0.852819 0.056615 0.689306 Ni\n0.751642 0.718510 0.436027 P\n0.775265 0.212190 0.086013 P\n0.224736 0.787812 0.913987 P\n0.248359 0.281492 0.563973 P\n0.866997 0.648432 0.260191 O\n0.741131 0.554971 0.542511 O\n0.818019 0.036450 0.182417 O\n0.568673 0.361487 0.183150 O\n0.673884 0.173167 0.906576 O\n0.465909 0.825117 0.429550 O\n0.534091 0.174884 0.570449 O\n0.042562 0.279288 0.078919 O\n0.431328 0.638514 0.816849 O\n0.181981 0.963551 0.817582 O\n0.258869 0.445030 0.457489 O\n0.133003 0.351569 0.739808 O\n0.957437 0.720713 0.921081 O\n0.055050 0.163552 0.481738 O\n0.326116 0.826834 0.093424 O\n0.944950 0.836449 0.518262 O\n",
"nsites": 28,
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"elements": [
"Li",
"Ni",
"P",
"O"
],
"chemical_system": "Li-Ni-O-P",
"density": 3.526384397119348,
"density_atomic": 0.09255874801342123,
"volume": 302.51057410521514,
"volume_molar": 6.506290209464345,
"formula_full": "Li4 Ni4 P4 O16",
"formula_reduced": "LiNiPO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 2
},
{
"id": "jvasp-121975",
"created_at": "2022-09-04T14:38:54.250046Z",
"updated_at": "2022-09-04T14:38:54.250072Z",
"structure_string": "Na2 Ca2 Si2 O8\n1.0\n7.133432 0.000000 0.000000\n-0.000000 4.770347 2.377515\n-0.000000 -0.024519 5.376199\nNa Ca Si O\n2 2 2 8\ndirect\n0.750000 0.683985 0.689640 Na\n0.250000 0.316016 0.310359 Na\n0.500000 -0.000000 -0.000000 Ca\n0.000000 0.000000 0.000000 Ca\n0.250000 0.624224 0.659454 Si\n0.750000 0.375776 0.340545 Si\n0.250000 0.288163 0.756034 O\n0.750000 0.711838 0.243965 O\n0.750000 0.195660 0.678169 O\n0.250000 0.804341 0.321830 O\n0.439706 0.709372 0.783819 O\n0.939706 0.290629 0.216180 O\n0.560293 0.290629 0.216180 O\n0.060293 0.709372 0.783819 O\n",
"nsites": 14,
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"elements": [
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"O"
],
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"density": 2.810110771419925,
"density_atomic": 0.07635160467192333,
"volume": 183.36222349427845,
"volume_molar": 7.887379428208028,
"formula_full": "Na2 Ca2 Si2 O8",
"formula_reduced": "NaCaSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.5200431457142858,
"spacegroup": 11
},
{
"id": "jvasp-116824",
"created_at": "2022-09-04T14:38:45.914656Z",
"updated_at": "2022-09-04T14:38:45.914685Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n5.172449 -0.000290 -0.002530\n-0.000380 8.960217 0.006643\n-0.002614 0.000660 9.565736\nLi Mn P O\n4 4 4 16\ndirect\n0.499898 0.499943 0.239346 Li\n0.999883 -0.000057 0.239410 Li\n-0.000112 0.999895 0.739397 Li\n0.499878 0.499897 0.739346 Li\n0.499817 0.833366 0.122621 Mn\n0.499873 0.166679 0.622620 Mn\n0.999869 0.333363 0.122628 Mn\n-0.000170 0.666679 0.622626 Mn\n0.000050 0.666647 0.259223 P\n0.500117 0.166650 0.259219 P\n0.500018 0.833338 0.759222 P\n0.000083 0.333340 0.759227 P\n0.148674 0.527781 0.203165 O\n0.648676 0.027776 0.203127 O\n0.782614 0.838242 0.702999 O\n0.282603 0.338254 0.702898 O\n0.717007 0.661746 0.203454 O\n0.217003 0.161754 0.203557 O\n0.350962 0.972185 0.703097 O\n0.500785 0.833601 0.918475 O\n0.365760 0.689415 0.703611 O\n0.865753 0.189413 0.703679 O\n0.000784 0.666558 0.418478 O\n0.501105 0.166578 0.418473 O\n0.633802 0.310555 0.203020 O\n0.001107 0.333606 0.918480 O\n0.850964 0.472182 0.703148 O\n0.133806 0.810560 0.203093 O\n",
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"volume": 443.33605700585224,
"volume_molar": 9.535114783116525,
"formula_full": "Li4 Mn4 P4 O16",
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"formula_anonymous": "ABCD4",
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"spacegroup": 173
},
{
"id": "jvasp-24259",
"created_at": "2022-09-04T14:37:42.997294Z",
"updated_at": "2022-09-04T14:37:42.997306Z",
"structure_string": "Ba4 Bi4 B4 O16\n1.0\n5.195169 0.000000 0.000000\n0.000000 8.603593 0.000000\n0.000000 0.000000 9.737007\nBa Bi B O\n4 4 4 16\ndirect\n0.749413 0.006596 0.183921 Ba\n0.249413 0.493404 0.683921 Ba\n0.249413 0.993404 0.816079 Ba\n0.749413 0.506596 0.316079 Ba\n0.249407 0.308028 0.064561 Bi\n0.749408 0.691972 0.935439 Bi\n0.749408 0.191972 0.564561 Bi\n0.249407 0.808028 0.435439 Bi\n0.249432 0.700496 0.059486 B\n0.749432 0.299504 0.940514 B\n0.749432 0.799504 0.559486 B\n0.249432 0.200496 0.440514 B\n0.749437 0.428579 0.587441 O\n0.484594 0.207202 0.374925 O\n0.749437 0.928579 0.912559 O\n0.249437 0.071420 0.087441 O\n0.014258 0.207165 0.374939 O\n0.514258 0.292835 0.874939 O\n0.249459 0.184379 0.583468 O\n0.749459 0.815621 0.416532 O\n0.249437 0.571420 0.412559 O\n0.984594 0.792798 0.625075 O\n0.014258 0.707165 0.125061 O\n0.514258 0.792835 0.625061 O\n0.984594 0.292798 0.874925 O\n0.484594 0.707202 0.125075 O\n0.249459 0.684379 0.916532 O\n0.749459 0.315621 0.083468 O\n",
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"volume": 435.2161668361044,
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"formula_full": "Ba4 Bi4 B4 O16",
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"formula_anonymous": "ABCD4",
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"spacegroup": 62
},
{
"id": "jvasp-47069",
"created_at": "2022-09-04T14:38:03.484491Z",
"updated_at": "2022-09-04T14:38:03.484519Z",
"structure_string": "Li2 Mn2 Fe2 O8\n1.0\n5.760646 -0.000000 -0.000000\n2.880323 4.954497 0.042614\n2.880323 1.691675 4.656940\nLi Mn Fe O\n2 2 2 8\ndirect\n0.122223 0.127777 0.127777 Li\n0.877778 0.872222 0.872222 Li\n-0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 -0.000001 0.500000 Fe\n0.500000 0.500000 -0.000000 Fe\n0.259070 0.265124 0.265124 O\n0.262632 0.259891 0.714844 O\n0.262632 0.714844 0.259891 O\n0.710680 0.265124 0.265124 O\n0.289320 0.734875 0.734875 O\n0.737368 0.740109 0.285156 O\n0.737368 0.285156 0.740108 O\n0.740930 0.734875 0.734875 O\n",
"nsites": 14,
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"elements": [
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],
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"density_atomic": 0.1056612335832017,
"volume": 132.4989262876234,
"volume_molar": 5.699479890378089,
"formula_full": "Li2 Mn2 Fe2 O8",
"formula_reduced": "LiMnFeO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 74
},
{
"id": "jvasp-44428",
"created_at": "2022-09-04T14:38:02.084944Z",
"updated_at": "2022-09-04T14:38:02.084969Z",
"structure_string": "Li2 Ti2 V2 O8\n1.0\n5.823155 -0.000000 -0.000000\n2.911578 5.143058 -0.011102\n2.911578 1.703886 4.852621\nLi Ti V O\n2 2 2 8\ndirect\n0.127665 0.122335 0.122334 Li\n0.872334 0.877667 0.877666 Li\n0.500000 0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n-0.000000 0.500001 0.500000 V\n0.500000 0.500001 0.500000 V\n0.263270 0.259248 0.259248 O\n0.262808 0.258467 0.715915 O\n0.262808 0.715916 0.258467 O\n0.718232 0.259248 0.259248 O\n0.281767 0.740753 0.740752 O\n0.737191 0.741534 0.284084 O\n0.737191 0.284084 0.741534 O\n0.736729 0.740753 0.740752 O\n",
"nsites": 14,
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"elements": [
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],
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"density": 3.8761114830379104,
"density_atomic": 0.09625933092383507,
"volume": 145.44044577951058,
"volume_molar": 6.256163119152577,
"formula_full": "Li2 Ti2 V2 O8",
"formula_reduced": "LiTiVO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.618035219047619,
"spacegroup": 74
},
{
"id": "jvasp-110323",
"created_at": "2022-09-04T14:37:55.941431Z",
"updated_at": "2022-09-04T14:37:55.941443Z",
"structure_string": "Li1 V1 B1 O4\n1.0\n3.994033 -0.035106 -2.695924\n-1.147165 3.825904 -2.695924\n0.026364 0.035106 4.818673\nLi V B O\n1 1 1 4\ndirect\n0.500000 0.499999 0.000000 Li\n0.000000 0.000000 0.000000 V\n0.250000 0.749999 0.500000 B\n0.159204 0.697122 0.122210 O\n0.963004 0.840794 0.537917 O\n0.574912 0.036995 0.877790 O\n0.302877 0.425086 0.462083 O\n",
"nsites": 7,
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"elements": [
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],
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"density_atomic": 0.09433955007640345,
"volume": 74.20005707395106,
"volume_molar": 6.383474115705243,
"formula_full": "Li1 V1 B1 O4",
"formula_reduced": "LiVBO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.7731615404761905,
"spacegroup": 82
},
{
"id": "jvasp-45827",
"created_at": "2022-09-04T14:38:01.356690Z",
"updated_at": "2022-09-04T14:38:01.356715Z",
"structure_string": "Li4 Fe4 Si4 O16\n1.0\n0.000000 5.037405 -0.000717\n6.357628 0.000000 0.000000\n0.000000 -0.002270 -10.743678\nLi Fe Si O\n4 4 4 16\ndirect\n0.260192 0.232441 0.837547 Li\n0.760187 0.267557 0.161894 Li\n0.760187 0.732444 0.661894 Li\n0.260192 0.767559 0.337547 Li\n0.260838 0.529074 0.084252 Fe\n0.260838 0.470926 0.584252 Fe\n0.760863 0.970918 0.915197 Fe\n0.760863 0.029082 0.415197 Fe\n0.763869 0.228771 0.673321 Si\n0.763869 0.771229 0.173321 Si\n0.263876 0.728770 0.826125 Si\n0.263876 0.271230 0.326124 Si\n0.589211 0.242664 0.325064 O\n0.650228 0.201429 0.816601 O\n0.129563 0.056930 0.386704 O\n0.692493 0.018894 0.587698 O\n0.692493 0.981107 0.087698 O\n0.129563 0.943070 0.886704 O\n0.650228 0.798571 0.316600 O\n0.192497 0.481109 0.411745 O\n0.089205 0.742655 0.174384 O\n0.150207 0.701443 0.682840 O\n0.629550 0.556922 0.112743 O\n0.192497 0.518891 0.911746 O\n0.089205 0.257345 0.674384 O\n0.629550 0.443079 0.612743 O\n0.589211 0.757336 0.825064 O\n0.150207 0.298557 0.182840 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 2.989639927895457,
"density_atomic": 0.0813772581593562,
"volume": 344.07647337010644,
"volume_molar": 7.40027483871133,
"formula_full": "Li4 Fe4 Si4 O16",
"formula_reduced": "LiFeSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.440894014285714,
"spacegroup": 33
}
]
}