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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=844",
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"results": [
{
"id": "jvasp-91714",
"created_at": "2022-09-04T14:36:11.470974Z",
"updated_at": "2022-09-04T14:36:11.471008Z",
"structure_string": "Mg2 Mn2 O4\n1.0\n3.016987 0.000173 -0.000035\n-0.000299 5.227101 -0.000350\n0.000060 0.000355 5.311806\nMg Mn O\n2 2 4\ndirect\n0.062562 0.999989 0.500001 Mg\n0.562572 0.500008 0.000002 Mg\n0.562561 0.499991 0.500001 Mn\n0.062580 0.000006 -0.000001 Mn\n0.062568 0.669063 0.768370 O\n0.562567 0.169058 0.731630 O\n0.062568 0.330939 0.231629 O\n0.562567 0.830934 0.268370 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 4.410326452656356,
"density_atomic": 0.09550221575209035,
"volume": 83.7676899640404,
"volume_molar": 6.305760251293633,
"formula_full": "Mg2 Mn2 O4",
"formula_reduced": "MgMnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5466633228448277,
"spacegroup": 58
},
{
"id": "jvasp-94827",
"created_at": "2022-09-04T14:36:11.162480Z",
"updated_at": "2022-09-04T14:36:11.162502Z",
"structure_string": "Mg1 Mn2 O4\n1.0\n-1.435023 -2.502762 -0.000515\n0.102106 -0.057615 -5.165254\n3.934268 -2.256126 1.595704\nMg Mn O\n1 2 4\ndirect\n0.500002 0.499997 0.999988 Mg\n0.000000 0.000002 0.000007 Mn\n0.499999 -0.000006 0.499993 Mn\n0.499992 0.215189 0.227967 O\n-0.000007 0.232154 0.748925 O\n0.000008 0.767834 0.251071 O\n0.500007 0.784818 0.772041 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 4.830755825407818,
"density_atomic": 0.10275597289241582,
"volume": 68.12256069366313,
"volume_molar": 5.860623563269752,
"formula_full": "Mg1 Mn2 O4",
"formula_reduced": "MgMn2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.5236025046798027,
"spacegroup": 10
},
{
"id": "jvasp-9272",
"created_at": "2022-09-04T14:38:34.741032Z",
"updated_at": "2022-09-04T14:38:34.741063Z",
"structure_string": "Mg4 Mn4 O8\n1.0\n3.173096 0.272131 -0.043039\n0.790488 8.352687 -0.127499\n0.841637 0.006363 8.258038\nMg Mn O\n4 4 8\ndirect\n0.706741 0.936050 0.732680 Mg\n0.317530 0.084032 0.239123 Mg\n0.129999 0.282136 0.870792 Mg\n0.894236 0.737964 0.101001 Mg\n0.159213 0.776465 0.406907 Mn\n0.492591 0.623787 0.755024 Mn\n0.531628 0.396304 0.216777 Mn\n0.865005 0.243584 0.564888 Mn\n0.407405 0.247049 0.411779 O\n0.420615 0.634675 0.199893 O\n0.603635 0.385412 0.771897 O\n0.616821 0.773036 0.560021 O\n0.886968 0.939608 0.234236 O\n0.909832 0.745453 0.867721 O\n0.137300 0.080478 0.737563 O\n0.114401 0.274632 0.104076 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 3.3992182470956966,
"density_atomic": 0.07360744786296897,
"volume": 217.36930792365388,
"volume_molar": 8.18142855762517,
"formula_full": "Mg4 Mn4 O8",
"formula_reduced": "MgMnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5489408228448276,
"spacegroup": 2
},
{
"id": "jvasp-11340",
"created_at": "2022-09-04T14:37:18.379102Z",
"updated_at": "2022-09-04T14:37:18.379122Z",
"structure_string": "Mg2 Mn4 O8\n1.0\n5.087444 -0.000000 -2.670973\n-1.402294 4.890365 -2.670973\n0.024772 0.032872 6.227736\nMg Mn O\n2 4 8\ndirect\n0.375000 0.624999 0.750001 Mg\n0.625000 0.375000 0.250000 Mg\n-0.000000 -0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.499999 -0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.753278 0.777547 0.506555 O\n0.770994 0.246721 0.993446 O\n0.222451 0.246721 0.993446 O\n0.246722 0.222451 0.493445 O\n0.246722 0.770994 0.493446 O\n0.229006 0.753277 0.006555 O\n0.753277 0.229005 0.506555 O\n0.777548 0.753277 0.006555 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 4.223456831419643,
"density_atomic": 0.08983799458442049,
"volume": 155.83606985844105,
"volume_molar": 6.703333915519465,
"formula_full": "Mg2 Mn4 O8",
"formula_reduced": "MgMn2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.511461076108374,
"spacegroup": 141
},
{
"id": "jvasp-49683",
"created_at": "2022-09-04T14:37:18.390612Z",
"updated_at": "2022-09-04T14:37:18.390643Z",
"structure_string": "Mg4 Mn4 O12\n1.0\n4.948685 -0.000000 0.000000\n0.000000 5.183157 0.000000\n0.000000 0.000000 7.227062\nMg Mn O\n4 4 12\ndirect\n0.980495 0.067602 0.250000 Mg\n0.480495 0.432398 0.750000 Mg\n0.519504 0.567602 0.250000 Mg\n0.019505 0.932398 0.750000 Mg\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.187842 0.193890 0.933761 O\n0.687842 0.306110 0.066238 O\n0.312157 0.693890 0.933761 O\n0.812157 0.806110 0.066238 O\n0.187842 0.193890 0.566238 O\n0.373161 0.947722 0.250000 O\n0.126838 0.447722 0.250000 O\n0.626838 0.052278 0.750000 O\n0.312157 0.693890 0.566238 O\n0.873161 0.552279 0.750000 O\n0.687842 0.306110 0.433762 O\n0.812157 0.806110 0.433762 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 4.55922519251776,
"density_atomic": 0.10789070743283108,
"volume": 185.37277654288522,
"volume_molar": 5.581704767066405,
"formula_full": "Mg4 Mn4 O12",
"formula_reduced": "MgMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.8014533582758616,
"spacegroup": 62
},
{
"id": "jvasp-9959",
"created_at": "2022-09-04T14:37:19.788803Z",
"updated_at": "2022-09-04T14:37:19.788813Z",
"structure_string": "Mg2 Mn4 O8\n1.0\n2.905374 -0.000000 -0.000000\n-1.452687 4.815437 0.000000\n-0.000000 -0.000000 9.566404\nMg Mn O\n2 4 8\ndirect\n0.387902 0.775808 0.750000 Mg\n0.612095 0.224193 0.250000 Mg\n0.868647 0.737298 0.070261 Mn\n0.131351 0.262702 0.929738 Mn\n0.868647 0.737298 0.429738 Mn\n0.131351 0.262702 0.570261 Mn\n0.221446 0.442895 0.386166 O\n0.778552 0.557106 0.613834 O\n0.778552 0.557106 0.886166 O\n0.221446 0.442895 0.113834 O\n0.957908 0.915822 0.250000 O\n0.042089 0.084179 0.750000 O\n0.499999 0.000000 0.000000 O\n0.499999 0.000000 0.500000 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 4.917558982256874,
"density_atomic": 0.1046023801948186,
"volume": 133.84016667618315,
"volume_molar": 5.757173736184544,
"formula_full": "Mg2 Mn4 O8",
"formula_reduced": "MgMn2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.5149867903940883,
"spacegroup": 63
},
{
"id": "jvasp-11543",
"created_at": "2022-09-04T14:37:15.749716Z",
"updated_at": "2022-09-04T14:37:15.749746Z",
"structure_string": "Mg2 Mn3 O8\n1.0\n4.635695 0.032620 -1.387337\n-0.838543 4.983768 -2.684757\n-0.011709 -0.139906 5.843014\nMg Mn O\n2 3 8\ndirect\n0.650236 0.722764 0.445526 Mg\n0.349762 0.277237 0.554472 Mg\n0.500000 0.999999 -0.000001 Mn\n0.999998 0.739298 -0.000001 Mn\n0.999998 0.260703 -0.000001 Mn\n0.071627 0.392604 0.785207 O\n0.928372 0.607395 0.214791 O\n0.091097 0.894772 0.789542 O\n0.908903 0.105227 0.210455 O\n0.398669 0.340312 0.226843 O\n0.398669 0.886531 0.226843 O\n0.601331 0.113467 0.773155 O\n0.601331 0.659687 0.773155 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 4.257317656481387,
"density_atomic": 0.09762076320338305,
"volume": 133.16839136891204,
"volume_molar": 6.168913827741211,
"formula_full": "Mg2 Mn3 O8",
"formula_reduced": "Mg2Mn3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.6912729095490717,
"spacegroup": 12
},
{
"id": "jvasp-10924",
"created_at": "2022-09-04T14:37:19.240486Z",
"updated_at": "2022-09-04T14:37:19.240508Z",
"structure_string": "Mg2 Mn4 O10\n1.0\n0.000000 4.478341 -0.000128\n3.490365 0.000000 0.000000\n0.000000 -0.000397 -11.446555\nMg Mn O\n2 4 10\ndirect\n0.092230 0.499999 0.750008 Mg\n0.907770 0.000000 0.249993 Mg\n0.550404 0.000000 0.900830 Mn\n0.449595 0.499999 0.099171 Mn\n0.449597 0.499999 0.400826 Mn\n0.550403 0.000000 0.599174 Mn\n0.594255 0.499999 0.249998 O\n0.405745 0.000000 0.750002 O\n0.432736 0.499999 0.923859 O\n0.567263 0.000000 0.076142 O\n0.432723 0.499999 0.576145 O\n0.567277 0.000000 0.423856 O\n0.923419 0.000000 0.633992 O\n0.076581 0.499999 0.366009 O\n0.076576 0.499999 0.133982 O\n0.923423 0.000000 0.866019 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 3.9754960841093934,
"density_atomic": 0.0894246354241335,
"volume": 178.92161286555267,
"volume_molar": 6.734319610516158,
"formula_full": "Mg2 Mn4 O10",
"formula_reduced": "MgMn2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.6287426290948277,
"spacegroup": 59
},
{
"id": "jvasp-11520",
"created_at": "2022-09-04T14:37:11.341202Z",
"updated_at": "2022-09-04T14:37:11.341215Z",
"structure_string": "Mg2 Mn4 O8\n1.0\n5.190235 -0.000029 2.996626\n1.730030 4.893490 2.996664\n-0.000015 0.000035 5.993279\nMg Mn O\n2 4 8\ndirect\n0.125000 0.125012 0.124996 Mg\n0.875001 0.874987 0.875004 Mg\n0.500001 0.499999 -0.000000 Mn\n0.500000 0.500001 0.499998 Mn\n1.000000 0.500000 0.500001 Mn\n0.499999 0.000001 0.500000 Mn\n0.738939 0.738922 0.738946 O\n0.261060 0.261080 0.716810 O\n0.261060 0.716833 0.261057 O\n0.716813 0.261074 0.261057 O\n0.738940 0.283166 0.738943 O\n0.283187 0.738927 0.738942 O\n0.261059 0.261080 0.261054 O\n0.738940 0.738922 0.283189 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
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"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 4.32379777564841,
"density_atomic": 0.09197236686855477,
"volume": 152.21963375160874,
"volume_molar": 6.547771863484534,
"formula_full": "Mg2 Mn4 O8",
"formula_reduced": "MgMn2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.51732536182266,
"spacegroup": 227
},
{
"id": "jvasp-79665",
"created_at": "2022-09-04T14:37:17.588451Z",
"updated_at": "2022-09-04T14:37:17.588481Z",
"structure_string": "Mg1 Mn1 O2\n1.0\n1.286843 -2.502737 0.832806\n-1.525940 -2.497018 -0.004657\n1.280599 -2.489328 -4.260800\nMg Mn O\n1 1 2\ndirect\n0.500000 0.500005 0.499999 Mg\n0.000001 0.000004 0.999999 Mn\n0.250598 0.248897 0.251615 O\n0.749403 0.751112 0.748384 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 5.161296952097579,
"density_atomic": 0.11176390237120533,
"volume": 35.78973098769101,
"volume_molar": 5.388269944260227,
"formula_full": "Mg1 Mn1 O2",
"formula_reduced": "MgMnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5864433228448276,
"spacegroup": 166
},
{
"id": "jvasp-9566",
"created_at": "2022-09-04T14:37:13.112373Z",
"updated_at": "2022-09-04T14:37:13.112384Z",
"structure_string": "Mg4 Mn4 O10\n1.0\n3.608286 0.000000 0.000000\n0.000000 5.277247 0.000000\n0.000000 0.000000 10.417996\nMg Mn O\n4 4 10\ndirect\n0.500001 0.263672 0.349699 Mg\n0.500001 0.736313 0.150302 Mg\n0.500001 0.763672 0.650301 Mg\n0.500001 0.236313 0.849698 Mg\n0.000000 0.228790 0.616857 Mn\n0.000000 0.771200 0.883143 Mn\n0.000000 0.271199 0.116858 Mn\n0.000000 0.728790 0.383143 Mn\n0.500001 0.176940 0.655764 O\n0.000000 0.866575 0.561610 O\n0.500001 0.676940 0.344237 O\n0.500001 0.323052 0.155767 O\n0.000000 0.499994 0.750000 O\n0.000000 0.633413 0.061609 O\n0.000000 0.133412 0.938391 O\n0.000000 -0.000006 0.250000 O\n0.000000 0.366574 0.438391 O\n0.500001 0.823052 0.844234 O\n",
"nsites": 18,
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"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 3.9924926195450836,
"density_atomic": 0.09073606557103667,
"volume": 198.3775678030465,
"volume_molar": 6.6369868718688325,
"formula_full": "Mg4 Mn4 O10",
"formula_reduced": "Mg2Mn2O5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 2.240926675862069,
"spacegroup": 55
},
{
"id": "jvasp-11042",
"created_at": "2022-09-04T14:37:19.758624Z",
"updated_at": "2022-09-04T14:37:19.758641Z",
"structure_string": "Mg4 Mn4 O8\n1.0\n3.062753 -0.000856 -0.000943\n0.001966 7.524717 -0.017319\n0.002803 2.493910 7.135933\nMg Mn O\n4 4 8\ndirect\n0.762029 0.947761 0.197848 Mg\n0.262016 0.072323 0.830349 Mg\n0.262025 0.320780 0.074517 Mg\n0.762022 0.699306 0.953687 Mg\n0.262028 0.824756 0.579514 Mn\n0.262028 0.573124 0.321405 Mn\n0.762021 0.446957 0.706801 Mn\n0.762025 0.195322 0.448692 Mn\n0.262023 0.314753 0.584157 O\n0.262023 0.572929 0.838983 O\n0.762024 0.447156 0.189222 O\n0.762028 0.705330 0.444044 O\n0.762025 0.946574 0.715388 O\n0.262026 0.827822 0.071496 O\n0.262021 0.073507 0.312812 O\n0.762020 0.192265 0.956701 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 4.4892634527666235,
"density_atomic": 0.0972115355714459,
"volume": 164.58952022459056,
"volume_molar": 6.1948828650834455,
"formula_full": "Mg4 Mn4 O8",
"formula_reduced": "MgMnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5130558228448276,
"spacegroup": 11
}
]
}