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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=4067",
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"results": [
{
"id": "jvasp-8245",
"created_at": "2022-09-04T14:37:00.886459Z",
"updated_at": "2022-09-04T14:37:00.886476Z",
"structure_string": "Mn1 O2\n1.0\n2.689531 -0.043351 3.936861\n1.184434 2.415071 3.936861\n-0.070809 -0.043351 4.767331\nMn O\n1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.262342 0.262340 0.262341 O\n0.737660 0.737658 0.737660 O\n",
"nsites": 3,
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"elements": [
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"density": 4.489882672949106,
"density_atomic": 0.09330464705176002,
"volume": 32.152739384307125,
"volume_molar": 6.454277413063108,
"formula_full": "Mn1 O2",
"formula_reduced": "MnO2",
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"spacegroup": 166
},
{
"id": "jvasp-30349",
"created_at": "2022-09-04T14:36:36.865070Z",
"updated_at": "2022-09-04T14:36:36.865095Z",
"structure_string": "Mn2 O4\n1.0\n-0.407970 2.852426 -0.000025\n-8.632215 -2.685758 0.094628\n-0.407434 1.397171 2.486935\nMn O\n2 4\ndirect\n0.000039 0.500012 0.499988 Mn\n0.999958 0.999987 0.000016 Mn\n0.262061 0.892829 0.368964 O\n0.404572 0.607139 0.797722 O\n0.595504 0.392884 0.202256 O\n0.737859 0.107145 0.631066 O\n",
"nsites": 6,
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"elements": [
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],
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"density": 4.518059446284002,
"density_atomic": 0.09389019105871355,
"volume": 63.90443913622397,
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"formula_full": "Mn2 O4",
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"spacegroup": 166
},
{
"id": "jvasp-30114",
"created_at": "2022-09-04T14:38:06.808327Z",
"updated_at": "2022-09-04T14:38:06.808352Z",
"structure_string": "Mn2 O4\n1.0\n1.436905 -2.347495 -0.000295\n3.212081 0.353375 4.063225\n-3.903873 -2.390033 0.938843\nMn O\n2 4\ndirect\n-0.004909 0.008680 0.971207 Mn\n0.499962 -0.001219 0.528313 Mn\n0.125305 0.747936 0.553115 O\n0.596574 0.805515 0.076102 O\n0.369743 0.259525 0.946415 O\n0.898469 0.201937 0.423430 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mn",
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],
"chemical_system": "Mn-O",
"density": 4.914568653364508,
"density_atomic": 0.10213008379406638,
"volume": 58.74860547552583,
"volume_molar": 5.896539527122054,
"formula_full": "Mn2 O4",
"formula_reduced": "MnO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.1904714137931043,
"spacegroup": 12
},
{
"id": "jvasp-37182",
"created_at": "2022-09-04T14:38:02.606723Z",
"updated_at": "2022-09-04T14:38:02.606754Z",
"structure_string": "Mn2 O2\n1.0\n2.602135 0.000000 0.000000\n-1.301068 2.253480 0.000000\n0.000000 -0.000000 6.202497\nMn O\n2 2\ndirect\n0.666743 0.333485 0.536733 Mn\n0.333258 0.666515 0.036732 Mn\n0.666600 0.333198 0.849698 O\n0.333401 0.666802 0.349698 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 6.477457023055347,
"density_atomic": 0.10997903285964204,
"volume": 36.370568971131966,
"volume_molar": 5.475717146636127,
"formula_full": "Mn2 O2",
"formula_reduced": "MnO",
"formula_anonymous": "AB",
"energy_above_hull": 1.622595370689655,
"spacegroup": 186
},
{
"id": "jvasp-29364",
"created_at": "2022-09-04T14:37:59.019245Z",
"updated_at": "2022-09-04T14:37:59.019282Z",
"structure_string": "Mn2 O4\n1.0\n3.779019 0.000000 0.000000\n0.000000 5.860191 0.000000\n-0.000000 0.000000 2.847335\nMn O\n2 4\ndirect\n0.250000 0.664821 0.250000 Mn\n0.750000 0.335179 0.749999 Mn\n0.250000 0.415950 0.749999 O\n0.250000 0.852567 0.749999 O\n0.750000 0.147433 0.250000 O\n0.750000 0.584050 0.250000 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 4.578819832769623,
"density_atomic": 0.09515285799874869,
"volume": 63.056434942594194,
"volume_molar": 6.32891211746808,
"formula_full": "Mn2 O4",
"formula_reduced": "MnO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.1268214137931043,
"spacegroup": 59
},
{
"id": "jvasp-30113",
"created_at": "2022-09-04T14:37:59.415693Z",
"updated_at": "2022-09-04T14:37:59.415731Z",
"structure_string": "Mn2 O4\n1.0\n2.791285 -0.000124 0.000017\n-1.395532 2.417389 -0.000031\n0.000069 -0.000070 8.891078\nMn O\n2 4\ndirect\n0.999966 0.999991 0.000015 Mn\n0.999976 0.000016 0.499986 Mn\n0.666641 0.333337 0.388878 O\n0.666632 0.333316 0.888894 O\n0.333294 0.666664 0.111130 O\n0.333304 0.666685 0.611099 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 4.8127019057488,
"density_atomic": 0.10001318194496941,
"volume": 59.992091875462975,
"volume_molar": 6.021347029348174,
"formula_full": "Mn2 O4",
"formula_reduced": "MnO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.207538080459771,
"spacegroup": 164
},
{
"id": "jvasp-11488",
"created_at": "2022-09-04T14:37:53.311058Z",
"updated_at": "2022-09-04T14:37:53.311083Z",
"structure_string": "Mn6 O8\n1.0\n-1.396901 4.972339 -2.686030\n3.738541 4.933581 0.880090\n5.164802 -0.000028 -2.686065\nMn O\n6 8\ndirect\n0.125002 0.249997 0.374993 Mn\n0.874997 0.750004 0.625006 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 -0.000000 Mn\n0.271060 0.510178 0.244913 O\n0.255103 0.989794 0.228957 O\n0.744918 0.010162 0.218774 O\n0.744897 0.010206 0.771042 O\n0.281237 0.489822 0.755086 O\n0.728940 0.489822 0.755086 O\n0.718762 0.510178 0.244913 O\n0.255081 0.989838 0.781225 O\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 4.764623672087414,
"density_atomic": 0.08778074298574758,
"volume": 159.48828323625713,
"volume_molar": 6.860434937282064,
"formula_full": "Mn6 O8",
"formula_reduced": "Mn3O4",
"formula_anonymous": "A3B4",
"energy_above_hull": 3.4042608177339897,
"spacegroup": 141
},
{
"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-10064",
"created_at": "2022-09-04T14:37:30.324849Z",
"updated_at": "2022-09-04T14:37:30.324879Z",
"structure_string": "Mn4 O8\n1.0\n5.229242 -0.607367 0.535316\n2.088626 4.832340 0.535316\n2.876374 1.660676 4.697098\nMn O\n4 8\ndirect\n0.125002 0.125004 0.874997 Mn\n0.124996 0.124997 0.375004 Mn\n0.625000 0.624999 0.125001 Mn\n0.624999 0.625000 0.625001 Mn\n0.320238 0.320239 0.429761 O\n0.429769 0.820242 0.374996 O\n0.320238 0.320239 0.929763 O\n0.820242 0.429769 0.374996 O\n0.429756 0.820230 0.875007 O\n0.820229 0.429757 0.875007 O\n0.929761 0.929760 0.320240 O\n0.929760 0.929760 0.820242 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 5.088370022003032,
"density_atomic": 0.10574186533473606,
"volume": 113.48390688979094,
"volume_molar": 5.695133844042124,
"formula_full": "Mn4 O8",
"formula_reduced": "MnO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.078994747126438,
"spacegroup": 136
},
{
"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": [
"Mn",
"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-91416",
"created_at": "2022-09-04T14:36:17.267027Z",
"updated_at": "2022-09-04T14:36:17.267050Z",
"structure_string": "Mn16 O24\n1.0\n7.729958 0.000000 -2.732953\n-3.864980 6.694341 -2.732953\n-0.000000 -0.000000 8.198860\nMn O\n16 24\ndirect\n0.500000 0.500000 0.500000 Mn\n0.965466 0.250000 0.215466 Mn\n0.750000 0.284535 0.534535 Mn\n0.284535 0.534535 0.750000 Mn\n0.250000 0.215465 0.965466 Mn\n0.534535 0.750000 0.284535 Mn\n0.034535 0.750000 0.784535 Mn\n0.250000 0.715465 0.465466 Mn\n0.215465 0.965465 0.250000 Mn\n0.715465 0.465465 0.250000 Mn\n0.750000 0.784535 0.034535 Mn\n0.465465 0.250000 0.715466 Mn\n-0.000000 0.500000 0.000000 Mn\n0.500000 -0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.784535 0.034535 0.750000 Mn\n0.015975 0.954794 0.727491 O\n0.288484 0.772509 0.727304 O\n0.484025 0.211516 0.938819 O\n0.954794 0.727490 0.015975 O\n0.772697 0.545206 0.561181 O\n0.211516 0.938819 0.484026 O\n0.545206 0.561181 0.772697 O\n0.727491 0.015975 0.954794 O\n0.561181 0.772696 0.545207 O\n0.727304 0.288484 0.772510 O\n0.061181 0.515975 0.788484 O\n0.515975 0.788484 0.061181 O\n0.272510 0.984025 0.045206 O\n0.227303 0.454794 0.438819 O\n0.454794 0.438819 0.227304 O\n0.788485 0.061181 0.515975 O\n0.272697 0.711516 0.227491 O\n0.045206 0.272510 0.984025 O\n0.772510 0.727303 0.288485 O\n0.711516 0.227490 0.272697 O\n0.984025 0.045206 0.272510 O\n0.438819 0.227303 0.454794 O\n0.227490 0.272697 0.711516 O\n0.938819 0.484025 0.211516 O\n",
"nsites": 40,
"nelements": 2,
"elements": [
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"O"
],
"chemical_system": "Mn-O",
"density": 4.943244127443794,
"density_atomic": 0.09428043019796768,
"volume": 424.26620154372443,
"volume_molar": 6.387476963517095,
"formula_full": "Mn16 O24",
"formula_reduced": "Mn2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.991132996551724,
"spacegroup": 206
},
{
"id": "jvasp-93954",
"created_at": "2022-09-04T14:36:16.890564Z",
"updated_at": "2022-09-04T14:36:16.890584Z",
"structure_string": "Mn2 O4\n1.0\n2.870580 0.000000 0.000000\n-2.870580 4.525288 0.000000\n0.000000 0.000000 4.335661\nMn O\n2 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.328952 0.828952 0.221174 O\n0.328951 0.328951 0.278826 O\n0.671049 0.671049 0.721174 O\n0.671049 0.171049 0.778826 O\n",
"nsites": 6,
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],
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"density": 5.126391522363157,
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"volume": 56.321108842229464,
"volume_molar": 5.65289408678644,
"formula_full": "Mn2 O4",
"formula_reduced": "MnO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.0774314137931045,
"spacegroup": 58
}
]
}