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"results": [
{
"id": "jvasp-117311",
"created_at": "2022-09-04T14:38:26.431324Z",
"updated_at": "2022-09-04T14:38:26.431359Z",
"structure_string": "Li4 Mn2 Co2 O8\n1.0\n2.837012 0.001232 0.006664\n1.420461 9.346562 0.853019\n0.011734 -0.020727 4.959867\nLi Mn Co O\n4 2 2 8\ndirect\n0.124998 0.749997 0.375000 Li\n0.624997 0.749998 0.875002 Li\n0.874185 0.252417 0.629633 Li\n0.375816 0.247587 0.120366 Li\n0.499917 0.000320 0.499781 Mn\n0.750081 0.499679 0.250219 Mn\n0.000096 -0.000239 -0.000045 Co\n0.249903 0.500238 0.750045 Co\n0.446414 0.110533 0.813711 O\n0.803585 0.389467 0.936287 O\n0.696363 0.610687 0.563254 O\n0.553634 0.889312 0.186748 O\n0.943681 0.112496 0.312059 O\n0.306317 0.387506 0.437940 O\n0.193684 0.612268 0.063104 O\n0.056315 0.887729 0.686897 O\n",
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"elements": [
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"volume": 131.5579290797118,
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"formula_full": "Li4 Mn2 Co2 O8",
"formula_reduced": "Li2MnCoO4",
"formula_anonymous": "ABC2D4",
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},
{
"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",
"nsites": 24,
"nelements": 4,
"elements": [
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],
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"density": 4.055448208361227,
"density_atomic": 0.11287864993795206,
"volume": 212.61770948884038,
"volume_molar": 5.335057394210768,
"formula_full": "Li7 Mn4 Co1 O12",
"formula_reduced": "Li7Mn4CoO12",
"formula_anonymous": "AB4C7D12",
"energy_above_hull": 2.7891054943965514,
"spacegroup": 6
},
{
"id": "jvasp-117314",
"created_at": "2022-09-04T14:38:26.525036Z",
"updated_at": "2022-09-04T14:38:26.525073Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n4.728980 0.018558 -1.551593\n-0.406553 5.547622 -1.137425\n-0.094578 0.077562 7.480357\nLi Mn Co O\n7 2 3 12\ndirect\n0.506996 0.268264 0.005947 Li\n0.512666 0.424888 0.675888 Li\n0.502529 0.731421 0.001562 Li\n0.506219 0.913606 0.667372 Li\n0.488191 0.080972 0.329089 Li\n0.485619 0.580501 0.320560 Li\n-0.001914 0.501597 0.003059 Li\n0.001985 -0.002943 0.003595 Mn\n0.002703 0.173712 0.669343 Mn\n0.001426 0.667779 0.668980 Co\n0.997005 0.829657 0.329868 Co\n0.997421 0.334035 0.331032 Co\n0.227092 0.277870 0.165697 O\n0.778665 0.042522 0.171143 O\n0.773594 0.195155 0.829857 O\n0.769003 0.544094 0.183560 O\n0.771192 0.722287 0.834915 O\n0.782232 0.879051 0.506794 O\n0.780126 0.378169 0.509456 O\n0.232798 0.451333 0.815245 O\n0.210943 0.622857 0.489866 O\n0.223921 0.959707 0.828744 O\n0.220041 0.120746 0.493766 O\n0.229547 0.802713 0.164679 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.468016442908605,
"density_atomic": 0.12247735781515154,
"volume": 195.95458644872062,
"volume_molar": 4.916942092340768,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy_above_hull": 2.689443299281609,
"spacegroup": 1
},
{
"id": "jvasp-120424",
"created_at": "2022-09-04T14:38:37.241729Z",
"updated_at": "2022-09-04T14:38:37.241747Z",
"structure_string": "Li7 Mn4 Co1 O12\n1.0\n6.383282 -0.020276 0.696028\n0.702383 6.344553 0.696028\n0.072304 0.064534 4.901213\nLi Mn Co O\n7 4 1 12\ndirect\n0.092001 0.429853 0.757298 Li\n0.570146 0.907998 0.242703 Li\n0.927082 0.586871 0.247024 Li\n0.413128 0.072917 0.752977 Li\n0.746114 0.749731 0.755700 Li\n0.250267 0.253885 0.244301 Li\n0.332274 0.667725 0.000001 Li\n0.006178 0.993821 0.000001 Mn\n0.496113 0.503885 0.500000 Mn\n0.830059 0.169940 0.500000 Mn\n0.666155 0.333844 0.000001 Mn\n0.168200 0.831798 0.500000 Co\n0.947827 0.280834 0.121824 O\n0.449686 0.778040 0.608659 O\n0.777505 0.450505 0.633722 O\n0.270135 0.957958 0.134058 O\n0.626218 0.601522 0.139054 O\n0.109535 0.109767 0.631049 O\n0.221959 0.550313 0.391342 O\n0.719164 0.052172 0.878177 O\n0.042041 0.729864 0.865943 O\n0.549493 0.222493 0.366279 O\n0.890231 0.890463 0.368952 O\n0.398477 0.373780 0.860947 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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],
"chemical_system": "Co-Li-Mn-O",
"density": 4.355093442051846,
"density_atomic": 0.12121892398450608,
"volume": 197.98888829493012,
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"formula_full": "Li7 Mn4 Co1 O12",
"formula_reduced": "Li7Mn4CoO12",
"formula_anonymous": "AB4C7D12",
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"spacegroup": 5
},
{
"id": "jvasp-116505",
"created_at": "2022-09-04T14:38:31.868281Z",
"updated_at": "2022-09-04T14:38:31.868318Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n5.324244 -0.062264 -2.155412\n0.575558 5.729890 -2.740785\n-0.107856 0.005320 7.521670\nLi Mn Co O\n8 2 4 14\ndirect\n0.216982 0.437792 0.145327 Li\n0.931881 0.864617 0.296431 Li\n0.634559 0.273845 0.426021 Li\n0.360080 0.720982 0.563178 Li\n0.067683 0.143753 0.706676 Li\n0.786925 0.568211 0.854940 Li\n0.500375 0.990833 0.006185 Li\n0.430086 0.861663 0.292080 Li\n0.008567 0.995012 0.003276 Mn\n0.708494 0.437454 0.144998 Mn\n0.570251 0.141597 0.712295 Co\n0.286431 0.572498 0.858626 Co\n0.143184 0.282555 0.427099 Co\n0.855615 0.715674 0.569375 Co\n0.105745 0.721587 0.057040 O\n0.880427 0.273970 0.933183 O\n0.603396 0.692015 0.065118 O\n0.295896 0.143044 0.207878 O\n0.018686 0.563087 0.358304 O\n0.746080 0.996094 0.515812 O\n0.443657 0.414002 0.644719 O\n0.165158 0.846101 0.789547 O\n0.560454 0.563934 0.355701 O\n0.259319 0.022396 0.508938 O\n0.984092 0.442675 0.639064 O\n0.693320 0.867823 0.781525 O\n0.408608 0.298884 0.929438 O\n0.834035 0.147911 0.207219 O\n",
"nsites": 28,
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"elements": [
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],
"chemical_system": "Co-Li-Mn-O",
"density": 4.543760174709957,
"density_atomic": 0.12256177903955758,
"volume": 228.45621383288525,
"volume_molar": 4.913555275708193,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
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"spacegroup": 1
},
{
"id": "jvasp-47561",
"created_at": "2022-09-04T14:36:37.544555Z",
"updated_at": "2022-09-04T14:36:37.544575Z",
"structure_string": "Li3 Mn1 Co2 O6\n1.0\n5.764866 -2.735751 -0.001436\n0.000000 -1.488377 2.433395\n-3.331815 -3.975739 -2.431746\nLi Mn Co O\n3 1 2 6\ndirect\n0.993482 0.003257 0.503278 Li\n0.333334 0.333331 0.833333 Li\n0.673186 0.663405 0.163388 Li\n0.333334 0.333332 0.333333 Mn\n-0.000020 0.000009 0.999110 Co\n0.666689 0.666654 0.667557 Co\n0.013881 0.493059 0.235890 O\n0.342729 0.828634 0.570477 O\n0.682009 0.158994 0.900230 O\n0.323940 0.838029 0.096191 O\n0.652788 0.173604 0.430777 O\n0.984660 0.507667 0.766438 O\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Co-Li-Mn-O",
"density": 4.86649346188655,
"density_atomic": 0.12142664423414574,
"volume": 98.8250978661695,
"volume_molar": 4.959488749757068,
"formula_full": "Li3 Mn1 Co2 O6",
"formula_reduced": "Li3Mn(CoO3)2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.633099170114942,
"spacegroup": 12
},
{
"id": "jvasp-43333",
"created_at": "2022-09-04T14:36:05.340529Z",
"updated_at": "2022-09-04T14:36:05.340548Z",
"structure_string": "Li2 Mn3 Co1 O8\n1.0\n0.010826 4.057569 4.057569\n4.057569 0.010826 4.057569\n4.057569 4.057569 0.010826\nLi Mn Co O\n2 3 1 8\ndirect\n0.124773 0.124773 0.124773 Li\n0.875228 0.875228 0.875228 Li\n0.500000 0.000001 0.500000 Mn\n0.500000 0.500000 0.000001 Mn\n0.000001 0.500000 0.500000 Mn\n0.500000 0.500000 0.500000 Co\n0.261664 0.261664 0.261664 O\n0.710873 0.262242 0.262242 O\n0.262242 0.710873 0.262242 O\n0.262242 0.262242 0.710873 O\n0.737759 0.737759 0.289127 O\n0.737759 0.289127 0.737759 O\n0.289127 0.737759 0.737759 O\n0.738337 0.738337 0.738337 O\n",
"nsites": 14,
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],
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"density": 4.562451705043998,
"density_atomic": 0.10520633542601962,
"volume": 133.0718339661655,
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"formula_full": "Li2 Mn3 Co1 O8",
"formula_reduced": "Li2Mn3CoO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 3.100470758866995,
"spacegroup": 166
},
{
"id": "jvasp-43813",
"created_at": "2022-09-04T14:36:06.101019Z",
"updated_at": "2022-09-04T14:36:06.101037Z",
"structure_string": "Li2 Mn1 Co3 O8\n1.0\n5.701830 -0.000000 -0.031040\n-0.000000 5.676938 0.000000\n2.678009 2.838469 4.057675\nLi Mn Co O\n2 1 3 8\ndirect\n0.500000 0.500000 0.500001 Li\n0.500000 -0.000000 0.500001 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 -0.000000 Co\n-0.000000 0.500000 0.500001 Co\n-0.000000 -0.000000 0.500001 Co\n0.206016 0.733582 0.030609 O\n0.206016 0.235810 0.030609 O\n0.206911 0.732021 0.535959 O\n0.213154 0.234117 0.531767 O\n0.786846 0.765883 0.468234 O\n0.793089 0.267979 0.464043 O\n0.793984 0.764190 0.969392 O\n0.793984 0.266418 0.969392 O\n",
"nsites": 14,
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],
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"density_atomic": 0.10620984886256975,
"volume": 131.8145176735474,
"volume_molar": 5.670039854582931,
"formula_full": "Li2 Mn1 Co3 O8",
"formula_reduced": "Li2MnCo3O8",
"formula_anonymous": "AB2C3D8",
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"spacegroup": 12
},
{
"id": "jvasp-43110",
"created_at": "2022-09-04T14:36:11.778356Z",
"updated_at": "2022-09-04T14:36:11.778380Z",
"structure_string": "Li2 Mn3 Co1 O8\n1.0\n5.772030 0.016363 0.011571\n2.900186 4.990544 0.011571\n2.900186 1.674422 4.701272\nLi Mn Co O\n2 3 1 8\ndirect\n0.118754 0.118754 0.118754 Li\n0.498395 0.498393 0.498394 Li\n0.005433 0.499082 0.499082 Mn\n0.499083 0.005431 0.499082 Mn\n0.499083 0.499082 0.005432 Mn\n0.880683 0.880680 0.880681 Co\n0.261301 0.261300 0.261300 O\n0.251632 0.251630 0.712125 O\n0.251632 0.712124 0.251631 O\n0.712126 0.251630 0.251631 O\n0.283782 0.747870 0.747870 O\n0.747872 0.283780 0.747870 O\n0.747872 0.747869 0.283780 O\n0.742366 0.742363 0.742363 O\n",
"nsites": 14,
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"elements": [
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],
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"density_atomic": 0.10372125887640436,
"volume": 134.9771507949261,
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"formula_full": "Li2 Mn3 Co1 O8",
"formula_reduced": "Li2Mn3CoO8",
"formula_anonymous": "AB2C3D8",
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"spacegroup": 160
},
{
"id": "jvasp-42936",
"created_at": "2022-09-04T14:38:06.424899Z",
"updated_at": "2022-09-04T14:38:06.424926Z",
"structure_string": "Li2 Mn1 Co3 O8\n1.0\n5.635863 0.017271 -0.033676\n2.832890 4.906708 -0.000000\n-0.038777 -3.248750 4.742495\nLi Mn Co O\n2 1 3 8\ndirect\n0.499999 -0.000000 0.500000 Li\n0.499999 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n-0.000000 0.500000 0.000000 Co\n0.500000 -0.000000 -0.000000 Co\n0.500000 0.500000 -0.000000 Co\n0.238485 0.023185 0.786133 O\n0.238485 0.524462 0.786133 O\n0.272305 0.464048 0.200399 O\n0.729891 0.031368 0.792627 O\n0.270108 0.968632 0.207374 O\n0.727694 0.535953 0.799602 O\n0.761514 0.475538 0.213868 O\n0.761514 0.976815 0.213868 O\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Co-Li-Mn-O",
"density": 4.728016762611596,
"density_atomic": 0.10669248717428206,
"volume": 131.2182363612071,
"volume_molar": 5.644390640329567,
"formula_full": "Li2 Mn1 Co3 O8",
"formula_reduced": "Li2MnCo3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.9557241386699507,
"spacegroup": 12
},
{
"id": "jvasp-47039",
"created_at": "2022-09-04T14:38:01.678964Z",
"updated_at": "2022-09-04T14:38:01.678980Z",
"structure_string": "Li3 Mn3 Co1 O8\n1.0\n1.601850 -2.476174 -4.827265\n5.054827 1.492465 -2.402696\n-0.000000 -2.949130 4.827265\nLi Mn Co O\n3 3 1 8\ndirect\n0.000001 0.500000 0.000000 Li\n0.000001 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 -0.000000 0.500000 Mn\n0.499999 0.000000 -0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Co\n0.256980 0.217347 0.237163 O\n0.257426 0.227724 0.742574 O\n0.762836 0.217347 0.237163 O\n0.762837 0.217347 0.743020 O\n0.237164 0.782653 0.256980 O\n0.237164 0.782653 0.762837 O\n0.742575 0.772276 0.257426 O\n0.743021 0.782653 0.762837 O\n",
"nsites": 15,
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"elements": [
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],
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"density": 4.666562995509324,
"density_atomic": 0.11314532734983328,
"volume": 132.57286316050508,
"volume_molar": 5.3224829527252,
"formula_full": "Li3 Mn3 Co1 O8",
"formula_reduced": "Li3Mn3CoO8",
"formula_anonymous": "AB3C3D8",
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"spacegroup": 166
},
{
"id": "jvasp-47037",
"created_at": "2022-09-04T14:38:01.522805Z",
"updated_at": "2022-09-04T14:38:01.522823Z",
"structure_string": "Li5 Mn3 Co2 O10\n1.0\n5.046889 0.013629 -0.059781\n-0.810438 5.001416 0.030861\n-2.378097 -2.255345 6.851474\nLi Mn Co O\n5 3 2 10\ndirect\n0.093748 0.800212 0.583215 Li\n0.717455 0.617964 0.224888 Li\n0.499999 0.500000 0.500000 Li\n0.282543 0.382036 0.775112 Li\n0.906251 0.199788 0.416784 Li\n0.500000 0.000000 0.000000 Mn\n0.108721 0.311836 0.110560 Mn\n0.891278 0.688164 0.889439 Mn\n0.697814 0.099812 0.696697 Co\n0.302185 0.900188 0.303303 Co\n0.710702 0.328351 0.954542 O\n0.909161 0.930498 0.143785 O\n0.289297 0.671649 0.045457 O\n0.679700 0.870627 0.454179 O\n0.524299 0.768914 0.761513 O\n0.114683 0.559173 0.338273 O\n0.885316 0.440826 0.661726 O\n0.475700 0.231086 0.238487 O\n0.320299 0.129373 0.545821 O\n0.090838 0.069502 0.856215 O\n",
"nsites": 20,
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"elements": [
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],
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"density": 4.594132848991291,
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"volume": 172.54776405334076,
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"formula_full": "Li5 Mn3 Co2 O10",
"formula_reduced": "Li5Mn3(CoO5)2",
"formula_anonymous": "A2B3C5D10",
"energy_above_hull": 2.8710184262068963,
"spacegroup": 2
}
]
}