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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=422",
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"results": [
{
"id": "jvasp-42300",
"created_at": "2022-09-04T14:35:41.061934Z",
"updated_at": "2022-09-04T14:35:41.061955Z",
"structure_string": "Li4 Mn3 Cr3 O12\n1.0\n5.194394 0.034577 -0.000005\n2.153029 4.727357 -0.000037\n1.520689 -2.346472 8.330437\nLi Mn Cr O\n4 3 3 12\ndirect\n0.169664 0.830198 0.660557 Li\n0.830200 0.169668 0.339445 Li\n0.580094 0.920001 0.839888 Li\n0.919997 0.580096 0.160112 Li\n-0.000000 0.000001 -0.000000 Mn\n0.336046 0.663974 0.327930 Mn\n0.663971 0.336048 0.672068 Mn\n0.084675 0.415317 0.830654 Cr\n0.415317 0.084674 0.169348 Cr\n0.749998 0.750000 0.500002 Cr\n0.872771 0.175980 0.831903 O\n0.781642 0.781644 0.000000 O\n0.566720 0.874372 0.326212 O\n0.525578 0.525584 0.499999 O\n0.655914 0.295321 0.168090 O\n0.218356 0.218355 0.000001 O\n0.451857 0.107098 0.673784 O\n0.175978 0.872773 0.168097 O\n0.107097 0.451859 0.326217 O\n0.874371 0.566720 0.673790 O\n0.295321 0.655916 0.831910 O\n0.974420 0.974422 0.500000 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Li-Mn-O",
"density": 4.401399535258696,
"density_atomic": 0.10787506870226696,
"volume": 203.93961519245528,
"volume_molar": 5.582513951041819,
"formula_full": "Li4 Mn3 Cr3 O12",
"formula_reduced": "Li4Mn3Cr3O12",
"formula_anonymous": "A3B3C4D12",
"energy_above_hull": 3.3013525420062693,
"spacegroup": 22
},
{
"id": "jvasp-42733",
"created_at": "2022-09-04T14:35:41.873058Z",
"updated_at": "2022-09-04T14:35:41.873085Z",
"structure_string": "Li3 Mn5 Cr2 O12\n1.0\n5.003058 0.100319 -0.101636\n2.495485 4.337421 0.101636\n-0.817917 1.382053 9.703920\nLi Mn Cr O\n3 5 2 12\ndirect\n0.330741 0.827592 0.989494 Li\n0.827593 0.330741 0.510506 Li\n0.924019 0.924020 0.750000 Li\n0.064698 0.064698 0.250000 Mn\n0.415087 0.415087 0.250000 Mn\n0.577946 0.577946 0.750000 Mn\n0.507734 0.010840 0.511307 Mn\n0.010840 0.507733 0.988693 Mn\n0.255257 0.255257 0.750000 Cr\n0.764145 0.764146 0.250000 Cr\n0.709266 0.465349 0.144847 O\n0.612811 0.853326 0.864130 O\n0.465348 0.709266 0.355153 O\n0.779452 0.044821 0.374128 O\n0.232485 0.963982 0.635139 O\n0.131809 0.358991 0.360356 O\n0.298031 0.542850 0.860299 O\n0.358992 0.131810 0.139644 O\n0.044821 0.779452 0.125872 O\n0.963983 0.232486 0.864861 O\n0.542850 0.298031 0.639701 O\n0.853326 0.612812 0.635870 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Li-Mn-O",
"density": 4.751219477645286,
"density_atomic": 0.10642048413421225,
"volume": 206.72711817637185,
"volume_molar": 5.658817293487572,
"formula_full": "Li3 Mn5 Cr2 O12",
"formula_reduced": "Li3Mn5Cr2O12",
"formula_anonymous": "A2B3C5D12",
"energy_above_hull": 3.4809655912225703,
"spacegroup": 5
},
{
"id": "jvasp-43197",
"created_at": "2022-09-04T14:37:02.992721Z",
"updated_at": "2022-09-04T14:37:02.992744Z",
"structure_string": "Li2 Mn1 Cr3 O8\n1.0\n5.753094 -0.026098 -0.018454\n2.853946 4.995375 -0.018454\n2.853946 1.647727 4.715835\nLi Mn Cr O\n2 1 3 8\ndirect\n0.121797 0.121797 0.121797 Li\n0.497026 0.497025 0.497028 Li\n0.879806 0.879804 0.879808 Mn\n0.013601 0.497859 0.497860 Cr\n0.497859 0.013600 0.497860 Cr\n0.497859 0.497859 0.013601 Cr\n0.259958 0.259957 0.259958 O\n0.250804 0.250803 0.716356 O\n0.250804 0.716354 0.250805 O\n0.716354 0.250803 0.250805 O\n0.262494 0.752520 0.752523 O\n0.752521 0.262493 0.752523 O\n0.752521 0.752520 0.262495 O\n0.746597 0.746596 0.746599 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Li-Mn-O",
"density": 4.3003538411348305,
"density_atomic": 0.10276617436284058,
"volume": 136.2315965034336,
"volume_molar": 5.8600417864514345,
"formula_full": "Li2 Mn1 Cr3 O8",
"formula_reduced": "Li2MnCr3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 3.324044102955665,
"spacegroup": 160
},
{
"id": "jvasp-116846",
"created_at": "2022-09-04T14:38:45.676332Z",
"updated_at": "2022-09-04T14:38:45.676358Z",
"structure_string": "Li4 Mn4 Cr2 O12\n1.0\n4.924575 -0.051879 0.000000\n-2.399163 4.300947 0.000000\n-0.000000 -0.000000 9.997252\nLi Mn Cr O\n4 4 2 12\ndirect\n0.660677 0.160678 0.750000 Li\n0.839322 0.339322 0.250000 Li\n0.160678 0.660678 0.750000 Li\n0.339322 0.839323 0.250000 Li\n0.837303 0.162696 0.500000 Mn\n0.662696 0.337304 -0.000000 Mn\n0.337304 0.662696 -0.000000 Mn\n0.162697 0.837305 0.500000 Mn\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.160239 0.504299 0.393131 O\n0.837825 0.837825 0.396356 O\n0.995700 0.339762 0.893130 O\n0.662175 0.662175 0.896356 O\n0.337825 0.337825 0.103644 O\n0.660238 0.004299 0.106869 O\n0.839761 0.495701 0.606869 O\n0.504299 0.160238 0.393131 O\n0.339762 0.995702 0.893130 O\n0.495701 0.839762 0.606869 O\n0.162175 0.162175 0.603643 O\n0.004300 0.660239 0.106869 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Li-Mn-O",
"density": 4.287417348007385,
"density_atomic": 0.10451264835538324,
"volume": 210.50083742200783,
"volume_molar": 5.762116695696394,
"formula_full": "Li4 Mn4 Cr2 O12",
"formula_reduced": "Li2Mn2CrO6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 3.0172057166144195,
"spacegroup": 64
},
{
"id": "jvasp-48346",
"created_at": "2022-09-04T14:36:32.637203Z",
"updated_at": "2022-09-04T14:36:32.637232Z",
"structure_string": "Li5 Mn3 Cr2 O10\n1.0\n5.113462 0.007399 -0.012536\n-0.851569 5.068503 0.001974\n-2.401022 -2.246766 6.946290\nLi Mn Cr O\n5 3 2 10\ndirect\n0.082654 0.794324 0.583580 Li\n0.717360 0.607613 0.220276 Li\n0.501668 0.499479 0.500384 Li\n0.920630 0.204808 0.417114 Li\n0.286039 0.391353 0.780426 Li\n0.501721 0.999471 0.000365 Mn\n0.106550 0.306782 0.106681 Mn\n0.896899 0.692166 0.894054 Mn\n0.699495 0.099657 0.692697 Cr\n0.303927 0.899299 0.308040 Cr\n0.317588 0.133388 0.549414 O\n0.914485 0.926765 0.145708 O\n0.685835 0.865579 0.451318 O\n0.291443 0.673642 0.044117 O\n0.532396 0.769749 0.766862 O\n0.115019 0.550172 0.336102 O\n0.888397 0.448780 0.664627 O\n0.471060 0.229199 0.233879 O\n0.712012 0.325302 0.956623 O\n0.088960 0.072186 0.855018 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Li-Mn-O",
"density": 4.277814415555647,
"density_atomic": 0.11115988800662197,
"volume": 179.92101610257623,
"volume_molar": 5.417548423259704,
"formula_full": "Li5 Mn3 Cr2 O10",
"formula_reduced": "Li5Mn3Cr2O10",
"formula_anonymous": "A2B3C5D10",
"energy_above_hull": 3.049206076206896,
"spacegroup": 2
},
{
"id": "jvasp-43132",
"created_at": "2022-09-04T14:36:38.668438Z",
"updated_at": "2022-09-04T14:36:38.668469Z",
"structure_string": "Li4 Mn4 Cr2 O12\n1.0\n4.936634 0.015967 -0.000000\n-2.467033 4.276022 0.000000\n-0.000000 0.000000 9.993059\nLi Mn Cr O\n4 4 2 12\ndirect\n0.159916 0.659916 0.750000 Li\n0.340085 0.840084 0.250000 Li\n0.659915 0.159916 0.750000 Li\n0.840084 0.340085 0.250000 Li\n0.162944 0.837056 0.500000 Mn\n0.337056 0.662944 0.000000 Mn\n0.662944 0.337056 0.000000 Mn\n0.837056 0.162945 0.500000 Mn\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.504640 0.160186 0.393080 O\n0.838279 0.838280 0.396997 O\n0.339814 0.995360 0.893080 O\n0.661721 0.661721 0.896997 O\n0.338279 0.338279 0.103003 O\n0.004640 0.660186 0.106920 O\n0.495360 0.839814 0.606920 O\n0.160186 0.504640 0.393080 O\n0.995360 0.339815 0.893080 O\n0.839814 0.495361 0.606920 O\n0.161721 0.161721 0.603003 O\n0.660186 0.004640 0.106920 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Li-Mn-O",
"density": 4.2704201781840805,
"density_atomic": 0.1040983151826154,
"volume": 211.33867499590463,
"volume_molar": 5.785051131169228,
"formula_full": "Li4 Mn4 Cr2 O12",
"formula_reduced": "Li2Mn2CrO6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 3.0189975347962377,
"spacegroup": 64
},
{
"id": "jvasp-43318",
"created_at": "2022-09-04T14:37:28.979425Z",
"updated_at": "2022-09-04T14:37:28.979447Z",
"structure_string": "Li4 Mn2 Cr6 O16\n1.0\n2.885502 -4.997836 0.000000\n2.885502 4.997836 -0.000000\n0.000000 -0.000000 9.220791\nLi Mn Cr O\n4 2 6 16\ndirect\n0.333332 0.666667 0.107004 Li\n0.000000 0.000000 0.004054 Li\n0.000000 0.000000 0.504054 Li\n0.666667 0.333332 0.607004 Li\n0.333332 0.666667 0.513403 Mn\n0.666667 0.333332 0.013403 Mn\n0.829039 0.658080 0.287345 Cr\n0.829040 0.170959 0.287345 Cr\n0.341919 0.170960 0.287345 Cr\n0.170959 0.829040 0.787345 Cr\n0.170960 0.341919 0.787345 Cr\n0.658080 0.829039 0.787345 Cr\n0.338422 0.169210 0.900414 O\n0.830790 0.169209 0.900414 O\n0.666667 0.333332 0.399713 O\n0.521386 0.478613 0.154871 O\n0.521387 0.042772 0.154871 O\n0.661577 0.830789 0.400414 O\n0.478612 0.957227 0.654871 O\n0.042772 0.521387 0.654871 O\n0.169209 0.830790 0.400414 O\n0.000000 0.000000 0.193989 O\n0.000000 0.000000 0.693989 O\n0.333332 0.666667 0.899713 O\n0.957227 0.478612 0.154871 O\n0.169210 0.338422 0.400414 O\n0.478613 0.521386 0.654871 O\n0.830789 0.661577 0.900414 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Li-Mn-O",
"density": 4.405654934586515,
"density_atomic": 0.10528256974099344,
"volume": 265.9509553089656,
"volume_molar": 5.719978886168071,
"formula_full": "Li4 Mn2 Cr6 O16",
"formula_reduced": "Li2MnCr3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 3.314799102955665,
"spacegroup": 186
},
{
"id": "jvasp-42241",
"created_at": "2022-09-04T14:35:51.209902Z",
"updated_at": "2022-09-04T14:35:51.209928Z",
"structure_string": "Li3 Mn2 Cr2 O8\n1.0\n5.737443 0.028040 -0.021579\n-0.013921 5.797703 -0.087115\n-2.844653 -2.913687 4.128112\nLi Mn Cr O\n3 2 2 8\ndirect\n0.500000 -0.000000 0.500000 Li\n0.499999 0.499999 -0.000001 Li\n0.000000 -0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n-0.000000 0.499999 0.499999 Mn\n-0.000000 0.499999 -0.000001 Cr\n0.500000 0.499999 0.499999 Cr\n0.780081 0.260761 0.019326 O\n0.765664 0.277959 0.518465 O\n0.234352 0.252802 0.012313 O\n0.758082 0.744343 0.513741 O\n0.241917 0.255655 0.486257 O\n0.765647 0.747196 0.987685 O\n0.234335 0.722039 0.481533 O\n0.219918 0.739237 0.980672 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
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"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Li-Mn-O",
"density": 4.444261866603827,
"density_atomic": 0.11069051901094101,
"volume": 135.51296112829095,
"volume_molar": 5.440520844793177,
"formula_full": "Li3 Mn2 Cr2 O8",
"formula_reduced": "Li3Mn2Cr2O8",
"formula_anonymous": "A2B2C3D8",
"energy_above_hull": 3.125243818850575,
"spacegroup": 12
},
{
"id": "jvasp-111917",
"created_at": "2022-09-04T14:38:42.695738Z",
"updated_at": "2022-09-04T14:38:42.695774Z",
"structure_string": "Li4 Mn6 Cr2 O16\n1.0\n5.696187 0.000000 0.000000\n-2.848094 4.933042 -0.000000\n-0.000000 -0.000000 9.382724\nLi Mn Cr O\n4 6 2 16\ndirect\n0.333334 0.666667 0.897275 Li\n0.000000 0.000000 0.996610 Li\n0.000000 0.000000 0.496610 Li\n0.666668 0.333333 0.397275 Li\n0.830737 0.661473 0.714190 Mn\n0.338527 0.169263 0.714190 Mn\n0.830737 0.169263 0.714190 Mn\n0.169264 0.338527 0.214190 Mn\n0.169264 0.830736 0.214190 Mn\n0.661474 0.830736 0.214190 Mn\n0.333334 0.666667 0.486216 Cr\n0.666668 0.333333 0.986216 Cr\n0.324999 0.162499 0.099689 O\n0.837502 0.675001 0.099689 O\n0.666668 0.333333 0.606688 O\n0.517887 0.035772 0.837891 O\n0.517887 0.482114 0.837891 O\n0.675002 0.837501 0.599689 O\n0.482114 0.517886 0.337891 O\n0.035772 0.517886 0.337891 O\n0.162499 0.324999 0.599689 O\n0.000000 0.000000 0.811492 O\n0.000000 0.000000 0.311492 O\n0.333334 0.666667 0.106688 O\n0.964229 0.482114 0.837891 O\n0.162500 0.837501 0.599689 O\n0.482114 0.964228 0.337891 O\n0.837502 0.162499 0.099689 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Li-Mn-O",
"density": 4.518218856439921,
"density_atomic": 0.10620135028236649,
"volume": 263.65013180674293,
"volume_molar": 5.670493589759854,
"formula_full": "Li4 Mn6 Cr2 O16",
"formula_reduced": "Li2Mn3CrO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 3.2234319374384235,
"spacegroup": 186
},
{
"id": "jvasp-111146",
"created_at": "2022-09-04T14:38:38.450537Z",
"updated_at": "2022-09-04T14:38:38.450577Z",
"structure_string": "Li2 Mn1 Cr1 O4\n1.0\n3.704813 -0.031720 -3.571962\n-0.690789 3.639896 -3.572086\n0.026640 0.031718 5.146281\nLi Mn Cr O\n2 1 1 4\ndirect\n0.250016 0.750015 0.500005 Li\n0.500003 0.500010 0.000001 Li\n0.000001 0.000008 0.000009 Mn\n0.749996 0.250000 0.500001 Cr\n0.516601 0.016600 0.499992 O\n0.231174 0.231166 0.999995 O\n0.983385 0.483391 0.499995 O\n0.768822 0.768815 0.000002 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Li-Mn-O",
"density": 4.37584001562735,
"density_atomic": 0.11406911115384914,
"volume": 70.13292134108164,
"volume_molar": 5.27937905282502,
"formula_full": "Li2 Mn1 Cr1 O4",
"formula_reduced": "Li2MnCrO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.6546248301724136,
"spacegroup": 119
},
{
"id": "jvasp-120425",
"created_at": "2022-09-04T14:38:37.278035Z",
"updated_at": "2022-09-04T14:38:37.278055Z",
"structure_string": "Li2 Mn2 Cr2 O8\n1.0\n4.963384 -0.081594 -2.779526\n-1.675530 4.643472 -2.828139\n-0.001638 0.081594 5.688668\nLi Mn Cr O\n2 2 2 8\ndirect\n0.874300 0.124301 0.749999 Li\n0.125699 0.875698 0.250000 Li\n0.499999 0.500000 0.499999 Mn\n0.500000 0.000000 -0.000000 Mn\n0.500000 0.500000 -0.000000 Cr\n-0.000000 0.499999 0.500000 Cr\n0.715826 0.742629 0.973197 O\n0.269431 0.742629 0.526801 O\n0.256359 0.281461 0.525103 O\n0.256358 0.731255 0.974896 O\n0.743640 0.718539 0.474896 O\n0.743640 0.268745 0.025103 O\n0.730567 0.257370 0.473197 O\n0.284173 0.257370 0.026802 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
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"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Li-Mn-O",
"density": 4.48083157040099,
"density_atomic": 0.10619355378864952,
"volume": 131.83474420550363,
"volume_molar": 5.670909904743838,
"formula_full": "Li2 Mn2 Cr2 O8",
"formula_reduced": "LiMnCrO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.8804483773399023,
"spacegroup": 74
},
{
"id": "jvasp-44686",
"created_at": "2022-09-04T14:38:13.312744Z",
"updated_at": "2022-09-04T14:38:13.312757Z",
"structure_string": "Li2 Mn1 Cr1 O4\n1.0\n5.155457 -0.153035 0.000000\n2.118682 4.702483 -0.000000\n-3.637069 -2.274724 2.863480\nLi Mn Cr O\n2 1 1 4\ndirect\n0.250000 0.750000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Mn\n0.750000 0.250001 0.500000 Cr\n0.517017 0.017018 0.500000 O\n0.231448 0.231448 0.000000 O\n0.982982 0.482984 0.500000 O\n0.768552 0.768553 1.000000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Li-Mn-O",
"density": 4.362395527530338,
"density_atomic": 0.11371864111800054,
"volume": 70.34906433412947,
"volume_molar": 5.295649596930291,
"formula_full": "Li2 Mn1 Cr1 O4",
"formula_reduced": "Li2MnCrO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.657117330172414,
"spacegroup": 119
}
]
}