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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=581",
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"results": [
{
"id": "jvasp-107386",
"created_at": "2022-09-04T14:36:44.218444Z",
"updated_at": "2022-09-04T14:36:44.218468Z",
"structure_string": "Mn1 O2\n1.0\n2.420632 -0.228592 4.094311\n0.944546 2.240435 4.094311\n-0.382362 -0.228592 4.740954\nMn O\n1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.262029 0.262029 0.262028 O\n0.737972 0.737970 0.737969 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 4.513865717946678,
"density_atomic": 0.09380304082097962,
"volume": 31.981905636997556,
"volume_molar": 6.419984583967891,
"formula_full": "Mn1 O2",
"formula_reduced": "MnO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.0936180804597706,
"spacegroup": 166
},
{
"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-10937",
"created_at": "2022-09-04T14:37:04.380251Z",
"updated_at": "2022-09-04T14:37:04.380277Z",
"structure_string": "Mn4 O8\n1.0\n2.872481 0.001229 0.001611\n1.433492 6.921833 0.003619\n1.432538 0.006532 6.917337\nMn O\n4 8\ndirect\n0.348477 0.481151 0.817849 Mn\n0.831389 0.817753 0.515448 Mn\n0.167585 0.179138 0.481687 Mn\n0.650489 0.515736 0.179295 Mn\n0.162976 0.377595 0.292474 O\n0.542109 0.291479 0.620279 O\n0.456863 0.705413 0.376858 O\n0.835988 0.619301 0.704675 O\n0.843984 0.356503 0.951525 O\n0.202379 0.950738 0.640483 O\n0.154986 0.640379 0.045618 O\n0.796591 0.046153 0.356652 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 4.199376631795075,
"density_atomic": 0.08726761543853143,
"volume": 137.50805427303584,
"volume_molar": 6.90077382054951,
"formula_full": "Mn4 O8",
"formula_reduced": "MnO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.087438080459771,
"spacegroup": 87
},
{
"id": "jvasp-90431",
"created_at": "2022-09-04T14:35:56.341520Z",
"updated_at": "2022-09-04T14:35:56.341550Z",
"structure_string": "Mn2 O6\n1.0\n2.729703 -3.043444 2.328299\n2.729703 3.043444 -2.328299\n-2.729703 3.043444 2.328299\nMn O\n2 6\ndirect\n0.000000 0.499999 0.499999 Mn\n0.000000 0.000000 0.000000 Mn\n0.799093 0.749999 0.549093 O\n0.200907 0.250000 0.450907 O\n0.500000 0.121110 0.121111 O\n0.000000 0.378889 0.878889 O\n-0.000000 0.621110 0.121110 O\n0.500000 0.878888 0.878889 O\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 4.41842980384629,
"density_atomic": 0.10339761752971206,
"volume": 77.37122180500089,
"volume_molar": 5.824254856036208,
"formula_full": "Mn2 O6",
"formula_reduced": "MnO3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.591004435344828,
"spacegroup": 74
},
{
"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": [
"Mn",
"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,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 5.126391522363157,
"density_atomic": 0.1065319934805902,
"volume": 56.321108842229464,
"volume_molar": 5.65289408678644,
"formula_full": "Mn2 O4",
"formula_reduced": "MnO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.0774314137931045,
"spacegroup": 58
},
{
"id": "jvasp-93460",
"created_at": "2022-09-04T14:36:05.226776Z",
"updated_at": "2022-09-04T14:36:05.226813Z",
"structure_string": "Mn2 O4\n1.0\n2.870767 0.000000 0.000000\n0.000000 4.525667 0.000002\n0.000000 0.000000 4.336739\nMn O\n2 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 0.828865 0.221051 O\n0.000000 0.328864 0.278946 O\n0.000000 0.671137 0.721053 O\n0.500000 0.171136 0.778948 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 5.124354215649246,
"density_atomic": 0.10648965603043299,
"volume": 56.3435006146071,
"volume_molar": 5.655141526871841,
"formula_full": "Mn2 O4",
"formula_reduced": "MnO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.0774847471264373,
"spacegroup": 58
},
{
"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-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",
"O"
],
"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-44631",
"created_at": "2022-09-04T14:38:13.682203Z",
"updated_at": "2022-09-04T14:38:13.682232Z",
"structure_string": "Mn8 O16\n1.0\n5.685122 0.002677 -0.002737\n-2.840277 -4.924855 0.000349\n-0.004384 0.001455 -8.704160\nMn O\n8 16\ndirect\n0.830186 0.165495 0.788923 Mn\n0.664229 0.331408 0.514118 Mn\n0.332361 0.165496 0.788928 Mn\n0.830183 0.663323 0.788918 Mn\n0.164951 0.332860 0.288925 Mn\n0.330897 0.664760 0.014113 Mn\n0.662773 0.830687 0.288921 Mn\n0.164947 0.830683 0.288921 Mn\n0.665038 0.831834 0.901297 O\n0.330891 0.664744 0.400207 O\n0.036584 0.517589 0.159332 O\n0.478043 0.517597 0.159330 O\n0.831285 0.665536 0.401291 O\n0.163844 0.330641 0.901297 O\n0.517090 0.478583 0.659325 O\n0.997584 0.998115 0.680663 O\n0.330086 0.164335 0.401303 O\n0.997559 0.998082 0.180663 O\n0.478051 0.959066 0.159333 O\n0.664250 0.331440 0.900208 O\n0.517082 0.037117 0.659340 O\n0.831296 0.164331 0.401308 O\n0.958547 0.478592 0.659325 O\n0.163830 0.831839 0.901308 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
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"O"
],
"chemical_system": "Mn-O",
"density": 4.74024394694363,
"density_atomic": 0.09850742672487439,
"volume": 243.6364525796682,
"volume_molar": 6.113387548757613,
"formula_full": "Mn8 O16",
"formula_reduced": "MnO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.0909880804597707,
"spacegroup": 186
},
{
"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,
"nelements": 2,
"elements": [
"Mn",
"Os"
],
"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-15002",
"created_at": "2022-09-04T14:36:00.239248Z",
"updated_at": "2022-09-04T14:36:00.239271Z",
"structure_string": "Mn4 P4\n1.0\n3.190995 0.000000 0.000000\n0.000000 5.220377 0.000000\n0.000000 0.000000 5.850629\nMn P\n4 4\ndirect\n0.250000 0.503615 0.696907 Mn\n0.750001 0.496385 0.303093 Mn\n0.250000 0.003615 0.803093 Mn\n0.750001 0.996386 0.196907 Mn\n0.250000 0.691744 0.072089 P\n0.750001 0.308256 0.927911 P\n0.250000 0.191744 0.427911 P\n0.750001 0.808257 0.572089 P\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mn",
"P"
],
"chemical_system": "Mn-P",
"density": 5.855060564307765,
"density_atomic": 0.08208417473694038,
"volume": 97.46092990077607,
"volume_molar": 7.336542980787079,
"formula_full": "Mn4 P4",
"formula_reduced": "MnP",
"formula_anonymous": "AB",
"energy_above_hull": 2.1182163706896544,
"spacegroup": 62
}
]
}