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{
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"results": [
{
"id": "jvasp-8264",
"created_at": "2022-09-04T14:36:51.811226Z",
"updated_at": "2022-09-04T14:36:51.811257Z",
"structure_string": "Mn1 O2\n1.0\n5.096671 -0.462368 -0.273852\n4.540790 2.360311 -0.273852\n4.540790 0.894236 2.201455\nMn O\n1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.600999 0.600999 0.600999 O\n0.399001 0.399001 0.399001 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
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],
"chemical_system": "Mn-O",
"density": 4.154178766475137,
"density_atomic": 0.08632835462074268,
"volume": 34.75103878881494,
"volume_molar": 6.975854904748782,
"formula_full": "Mn1 O2",
"formula_reduced": "MnO2",
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"spacegroup": 166
},
{
"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",
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"elements": [
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],
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"density": 5.12642597559895,
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"volume": 56.320730324242014,
"volume_molar": 5.6528560953097635,
"formula_full": "Mn2 O4",
"formula_reduced": "MnO2",
"formula_anonymous": "AB2",
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"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-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-102247",
"created_at": "2022-09-04T14:37:10.963945Z",
"updated_at": "2022-09-04T14:37:10.963967Z",
"structure_string": "Mn1 O2\n1.0\n2.880169 -0.000000 -0.000000\n-1.440085 2.494300 0.000000\n0.000000 0.000000 4.458231\nMn O\n1 2\ndirect\n0.000000 0.000000 0.500000 Mn\n0.666668 0.333333 0.286108 O\n0.333334 0.666667 0.713892 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 4.507375575343272,
"density_atomic": 0.09366816859623871,
"volume": 32.027956187887575,
"volume_molar": 6.429228680619067,
"formula_full": "Mn1 O2",
"formula_reduced": "MnO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.099258080459771,
"spacegroup": 164
},
{
"id": "jvasp-8642",
"created_at": "2022-09-04T14:37:06.321023Z",
"updated_at": "2022-09-04T14:37:06.321040Z",
"structure_string": "Mn1 O2\n1.0\n2.689043 -0.043637 3.935279\n1.183958 2.414767 3.935279\n-0.071276 -0.043637 4.765742\nMn O\n1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.262317 0.262314 0.262316 O\n0.737686 0.737682 0.737686 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 4.491639174154083,
"density_atomic": 0.09334114905791793,
"volume": 32.14016572839175,
"volume_molar": 6.451753402203436,
"formula_full": "Mn1 O2",
"formula_reduced": "MnO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.099054747126438,
"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-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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"O"
],
"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
},
{
"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",
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"spacegroup": 166
},
{
"id": "jvasp-100737",
"created_at": "2022-09-04T14:36:34.763524Z",
"updated_at": "2022-09-04T14:36:34.763544Z",
"structure_string": "Mn6 Os2\n1.0\n5.141086 -0.000000 0.000000\n-2.570542 4.452311 0.000000\n-0.000000 -0.000000 4.085168\nMn Os\n6 2\ndirect\n0.838137 0.161864 0.750000 Mn\n0.323729 0.161864 0.750000 Mn\n0.838137 0.676271 0.750000 Mn\n0.161864 0.838136 0.250000 Mn\n0.676272 0.838136 0.250000 Mn\n0.161864 0.323729 0.250000 Mn\n0.666667 0.333333 0.250000 Os\n0.333334 0.666667 0.750000 Os\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Mn-Os",
"density": 12.609885790371079,
"density_atomic": 0.0855538787856684,
"volume": 93.50832613962237,
"volume_molar": 7.039003778059917,
"formula_full": "Mn6 Os2",
"formula_reduced": "Mn3Os",
"formula_anonymous": "AB3",
"energy_above_hull": 4.658716681034482,
"spacegroup": 194
},
{
"id": "jvasp-90496",
"created_at": "2022-09-04T14:36:04.060427Z",
"updated_at": "2022-09-04T14:36:04.060446Z",
"structure_string": "Mn6 P3\n1.0\n6.085981 -0.000000 0.000000\n-3.042992 5.270615 -0.000000\n-0.000000 0.000000 3.273728\nMn P\n6 3\ndirect\n0.256502 0.256501 0.000000 Mn\n0.743498 0.000000 0.000000 Mn\n0.599205 0.599205 0.500000 Mn\n-0.000000 0.743498 0.000000 Mn\n0.400794 0.000000 0.500000 Mn\n-0.000000 0.400794 0.500000 Mn\n0.333333 0.666666 0.000004 P\n0.000000 0.000000 0.500000 P\n0.666667 0.333333 0.999997 P\n",
"nsites": 9,
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"elements": [
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],
"chemical_system": "Mn-P",
"density": 6.6817814793037495,
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"volume": 105.01092373131578,
"volume_molar": 7.0265618227512014,
"formula_full": "Mn6 P3",
"formula_reduced": "Mn2P",
"formula_anonymous": "AB2",
"energy_above_hull": 3.245913327586207,
"spacegroup": 189
}
]
}