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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=4066",
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"results": [
{
"id": "jvasp-52389",
"created_at": "2022-09-04T14:36:04.314766Z",
"updated_at": "2022-09-04T14:36:04.314789Z",
"structure_string": "Mn6 O12\n1.0\n2.871446 -0.000053 0.000344\n-1.435655 6.949656 -0.036787\n-0.001455 -0.178923 8.846535\nMn O\n6 12\ndirect\n0.342693 0.679798 0.742974 Mn\n0.342683 0.679799 0.242975 Mn\n0.661745 0.317913 0.755293 Mn\n0.661734 0.317914 0.255293 Mn\n0.002216 0.998858 0.999136 Mn\n0.002217 0.998857 0.499134 Mn\n0.226906 0.448211 0.357558 O\n0.226918 0.448213 0.857558 O\n0.896544 0.787492 0.355905 O\n0.896554 0.787496 0.855903 O\n0.107878 0.210220 0.142361 O\n0.444759 0.883911 0.603575 O\n0.444758 0.883911 0.103575 O\n0.777520 0.549498 0.640710 O\n0.559668 0.113793 0.394686 O\n0.559673 0.113799 0.894692 O\n0.107885 0.210216 0.642364 O\n0.777510 0.549501 0.140710 O\n",
"nsites": 18,
"nelements": 2,
"elements": [
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],
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"density": 4.906987927345052,
"density_atomic": 0.10197254805935711,
"volume": 176.51809572829734,
"volume_molar": 5.905648995349786,
"formula_full": "Mn6 O12",
"formula_reduced": "MnO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.080564747126438,
"spacegroup": 12
},
{
"id": "jvasp-85720",
"created_at": "2022-09-04T14:35:41.420240Z",
"updated_at": "2022-09-04T14:35:41.420263Z",
"structure_string": "Mn6 O12\n1.0\n0.000020 2.871420 0.000003\n0.151111 -0.000177 8.848269\n6.948717 -1.435826 0.059830\nMn O\n6 12\ndirect\n0.342747 0.257096 0.679816 Mn\n0.342612 0.757065 0.679797 Mn\n0.661805 0.244651 0.317916 Mn\n0.661671 0.744659 0.317890 Mn\n0.002219 0.000867 0.998845 Mn\n0.002224 0.500864 0.998864 Mn\n0.226861 0.642443 0.448268 O\n0.227008 0.142445 0.448313 O\n0.896513 0.644183 0.787573 O\n0.896645 0.144239 0.787620 O\n0.107782 0.857520 0.210093 O\n0.444718 0.396513 0.883842 O\n0.444664 0.896538 0.883775 O\n0.777550 0.359305 0.549422 O\n0.559723 0.605215 0.113889 O\n0.559768 0.105188 0.113926 O\n0.107898 0.357520 0.210124 O\n0.777419 0.859284 0.549416 O\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 4.906906723978722,
"density_atomic": 0.10197086056505342,
"volume": 176.52101688910142,
"volume_molar": 5.905746726691699,
"formula_full": "Mn6 O12",
"formula_reduced": "MnO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.080561413793104,
"spacegroup": 12
},
{
"id": "jvasp-58207",
"created_at": "2022-09-04T14:37:32.366705Z",
"updated_at": "2022-09-04T14:37:32.366725Z",
"structure_string": "Mn8 O12\n1.0\n2.971585 -0.000000 0.000000\n-1.485792 4.978481 -0.000000\n-0.000000 -0.000000 14.767433\nMn O\n8 12\ndirect\n0.864308 0.728621 0.049375 Mn\n0.135689 0.271378 0.950624 Mn\n0.864308 0.728621 0.450624 Mn\n0.135689 0.271378 0.549375 Mn\n0.404838 0.809673 0.640772 Mn\n0.595161 0.190326 0.359229 Mn\n0.595161 0.190326 0.140771 Mn\n0.404838 0.809673 0.859228 Mn\n0.782689 0.565382 0.577728 O\n0.217309 0.434618 0.422272 O\n0.217309 0.434618 0.077728 O\n0.782689 0.565382 0.922272 O\n0.025901 0.051803 0.653558 O\n0.499998 0.000000 0.000000 O\n0.974098 0.948197 0.153558 O\n0.025901 0.051803 0.846442 O\n0.325677 0.651353 0.750000 O\n0.499998 0.000000 0.500000 O\n0.974098 0.948197 0.346442 O\n0.674320 0.348645 0.250000 O\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 4.799881091463774,
"density_atomic": 0.09154612690276051,
"volume": 218.46910051414653,
"volume_molar": 6.578258375033894,
"formula_full": "Mn8 O12",
"formula_reduced": "Mn2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 3.030690996551724,
"spacegroup": 63
},
{
"id": "jvasp-93457",
"created_at": "2022-09-04T14:35:57.446600Z",
"updated_at": "2022-09-04T14:35:57.446623Z",
"structure_string": "Mn2 O4\n1.0\n2.876103 0.000000 0.000000\n0.000000 4.440655 -0.000002\n0.000000 -0.000002 4.440655\nMn O\n2 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.499999 0.500001 0.500001 Mn\n0.000000 0.304742 0.304742 O\n0.499999 0.195259 0.804743 O\n0.000000 0.695260 0.695260 O\n0.499999 0.804743 0.195259 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 5.090781604322144,
"density_atomic": 0.10579198063919083,
"volume": 56.71507390019777,
"volume_molar": 5.692435970679886,
"formula_full": "Mn2 O4",
"formula_reduced": "MnO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.0790014137931045,
"spacegroup": 136
},
{
"id": "jvasp-18888",
"created_at": "2022-09-04T14:36:12.865527Z",
"updated_at": "2022-09-04T14:36:12.865550Z",
"structure_string": "Mn2 O4\n1.0\n2.870554 0.000000 0.000000\n0.000000 4.335697 -0.000000\n0.000000 -0.000000 4.525261\nMn O\n2 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.499999 0.500000 0.500000 Mn\n0.499999 0.778848 0.171071 O\n0.000000 0.721153 0.671071 O\n0.000000 0.278848 0.328928 O\n0.499999 0.221152 0.828928 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 5.12642597559895,
"density_atomic": 0.10653270945631599,
"volume": 56.320730324242014,
"volume_molar": 5.6528560953097635,
"formula_full": "Mn2 O4",
"formula_reduced": "MnO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.0774347471264374,
"spacegroup": 58
},
{
"id": "jvasp-30557",
"created_at": "2022-09-04T14:37:07.296852Z",
"updated_at": "2022-09-04T14:37:07.296871Z",
"structure_string": "Mn1 O2\n1.0\n2.660202 -0.009216 3.993578\n1.201498 2.373428 3.993578\n-0.015054 -0.009216 4.798450\nMn O\n1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.260671 0.260668 0.260670 O\n0.739335 0.739328 0.739331 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 4.7259749478322854,
"density_atomic": 0.09821090139830246,
"volume": 30.54650713196543,
"volume_molar": 6.131845522501324,
"formula_full": "Mn1 O2",
"formula_reduced": "MnO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.2086514137931044,
"spacegroup": 166
},
{
"id": "jvasp-10945",
"created_at": "2022-09-04T14:37:07.838601Z",
"updated_at": "2022-09-04T14:37:07.838635Z",
"structure_string": "Mn4 O8\n1.0\n4.955307 0.007297 2.855919\n1.643188 4.670079 2.863492\n0.004599 -0.006474 5.719409\nMn O\n4 8\ndirect\n0.500001 0.500001 0.499998 Mn\n0.000000 0.500002 0.499999 Mn\n0.500000 0.500001 -0.000000 Mn\n0.499999 0.000001 0.500001 Mn\n0.291443 0.736172 0.736197 O\n0.736188 0.736200 0.736169 O\n0.736171 0.291446 0.736187 O\n0.736198 0.736189 0.291444 O\n0.263811 0.263804 0.263829 O\n0.708557 0.263829 0.263802 O\n0.263802 0.263812 0.708556 O\n0.263828 0.708557 0.263812 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 4.365070981761079,
"density_atomic": 0.09071092431054124,
"volume": 132.288366491769,
"volume_molar": 6.638826366032504,
"formula_full": "Mn4 O8",
"formula_reduced": "MnO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.103414747126437,
"spacegroup": 227
},
{
"id": "jvasp-30583",
"created_at": "2022-09-04T14:37:13.111014Z",
"updated_at": "2022-09-04T14:37:13.111033Z",
"structure_string": "Mn1 O2\n1.0\n5.005556 -0.437342 -0.259029\n4.465967 2.302606 -0.259029\n4.465967 0.879501 2.143728\nMn O\n1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.597755 0.597756 0.597756 O\n0.402245 0.402245 0.402245 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 4.484991639607894,
"density_atomic": 0.0932030060573595,
"volume": 32.18780302165065,
"volume_molar": 6.461316018384452,
"formula_full": "Mn1 O2",
"formula_reduced": "MnO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.211881413793104,
"spacegroup": 166
},
{
"id": "jvasp-5308",
"created_at": "2022-09-04T14:37:06.040425Z",
"updated_at": "2022-09-04T14:37:06.040449Z",
"structure_string": "Mn1 O2\n1.0\n1.439938 -2.494045 -0.000000\n1.439938 2.494045 0.000000\n-0.000000 -0.000000 4.449098\nMn O\n1 2\ndirect\n-0.000000 0.000000 1.000001 Mn\n0.333333 0.666668 0.214318 O\n0.666668 0.333333 0.785682 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 4.517549573163092,
"density_atomic": 0.09387959534050597,
"volume": 31.955825854583743,
"volume_molar": 6.41474937994502,
"formula_full": "Mn1 O2",
"formula_reduced": "MnO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.099498080459771,
"spacegroup": 164
},
{
"id": "jvasp-7870",
"created_at": "2022-09-04T14:37:06.238589Z",
"updated_at": "2022-09-04T14:37:06.238615Z",
"structure_string": "Mn1 O1\n1.0\n2.698281 -0.000000 1.557853\n0.899428 2.543963 1.557853\n-0.000000 -0.000000 3.115704\nMn O\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500001 0.499999 0.499998 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 5.507702604667085,
"density_atomic": 0.09351382858795107,
"volume": 21.38721117721078,
"volume_molar": 6.439839808650431,
"formula_full": "Mn1 O1",
"formula_reduced": "MnO",
"formula_anonymous": "AB",
"energy_above_hull": 1.555165370689655,
"spacegroup": 225
},
{
"id": "jvasp-8794",
"created_at": "2022-09-04T14:37:06.249872Z",
"updated_at": "2022-09-04T14:37:06.249898Z",
"structure_string": "Mn1 O2\n1.0\n4.778888 -0.377775 -0.225163\n4.178033 2.350431 -0.225163\n4.178033 0.920163 2.174517\nMn O\n1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.260674 0.260675 0.260676 O\n0.739323 0.739324 0.739327 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 4.725693538849214,
"density_atomic": 0.09820505341345401,
"volume": 30.54832613724746,
"volume_molar": 6.13221066602971,
"formula_full": "Mn1 O2",
"formula_reduced": "MnO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.2084414137931043,
"spacegroup": 166
},
{
"id": "jvasp-10804",
"created_at": "2022-09-04T14:37:10.442008Z",
"updated_at": "2022-09-04T14:37:10.442023Z",
"structure_string": "Mn4 O8\n1.0\n5.694784 -0.004650 -0.003288\n2.843366 4.924853 -0.000000\n2.843366 1.641617 4.643196\nMn O\n4 8\ndirect\n0.270669 0.243111 0.243111 Mn\n0.635926 0.108547 0.627763 Mn\n0.635927 0.627763 0.108546 Mn\n0.635927 0.627763 0.627763 Mn\n0.397690 0.369845 0.369845 O\n0.397690 0.369845 0.862620 O\n0.397691 0.862619 0.369845 O\n0.851818 0.382727 0.382727 O\n0.410336 0.863221 0.863221 O\n0.832893 0.412680 0.877214 O\n0.832894 0.877213 0.412680 O\n0.832894 0.877213 0.877214 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
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],
"chemical_system": "Mn-O",
"density": 4.4311700987318545,
"density_atomic": 0.09208453587873404,
"volume": 130.3150402560836,
"volume_molar": 6.5397959630600155,
"formula_full": "Mn4 O8",
"formula_reduced": "MnO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.1443714137931043,
"spacegroup": 160
}
]
}