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{
"id": "mp-1032501",
"created_at": "2022-09-04T14:41:10.714893Z",
"structure_string": "Rb1 Mg6 Mn1 O8\n1.0\n9.072352 0.000000 0.000000\n0.000000 4.461559 0.000000\n0.000000 0.000000 4.461559\nRb Mg Mn O\n1 6 1 8\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 -0.000000 -0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.269063 -0.000000 0.500000 Mg\n0.730937 0.000000 0.500000 Mg\n0.269063 0.500000 0.000000 Mg\n0.730937 0.500000 -0.000000 Mg\n0.000000 -0.000000 -0.000000 Mn\n0.257520 -0.000000 -0.000000 O\n0.742480 0.000000 0.000000 O\n0.281395 0.500000 0.500000 O\n0.718605 0.500000 0.500000 O\n0.000000 -0.000000 0.500000 O\n0.500000 -0.000000 0.500000 O\n0.000000 0.500000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n",
"nsites": 16,
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"elements": [
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"Mn",
"O"
],
"chemical_system": "Mg-Mn-O-Rb",
"density": 3.8088912125331786,
"density_atomic": 0.08859858982062979,
"volume": 180.58978176054976,
"volume_molar": 6.797106784873196,
"formula_full": "Rb1 Mg6 Mn1 O8",
"formula_reduced": "RbMg6MnO8",
"formula_anonymous": "ABC6D8",
"energy": -97.51708373,
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"updated_at": "2021-11-28T01:35:17.701000Z",
"spacegroup": 123
},
{
"id": "mp-1036172",
"created_at": "2022-09-04T14:40:38.312974Z",
"structure_string": "Rb1 Mg14 Mn1 O16\n1.0\n8.800715 0.000000 0.000000\n0.000000 8.800715 0.000000\n0.000000 0.000000 4.300652\nRb Mg Mn O\n1 14 1 16\ndirect\n0.500000 0.500000 0.000000 Rb\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.252084 0.000000 0.500000 Mg\n0.747916 0.000000 0.500000 Mg\n0.236152 0.500000 0.500000 Mg\n0.763848 0.500000 0.500000 Mg\n0.000000 0.252084 0.500000 Mg\n0.500000 0.236152 0.500000 Mg\n0.000000 0.747916 0.500000 Mg\n0.500000 0.763848 0.500000 Mg\n0.248106 0.248106 0.000000 Mg\n0.751894 0.248106 0.000000 Mg\n0.248106 0.751894 0.000000 Mg\n0.751894 0.751894 0.000000 Mg\n0.000000 0.000000 0.000000 Mn\n0.000000 0.246906 0.000000 O\n0.500000 0.220994 0.000000 O\n0.000000 0.753094 0.000000 O\n0.500000 0.779006 0.000000 O\n0.249823 0.249823 0.500000 O\n0.750177 0.249823 0.500000 O\n0.249823 0.750177 0.500000 O\n0.750177 0.750177 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.246906 0.000000 0.000000 O\n0.753094 0.000000 0.000000 O\n0.220994 0.500000 0.000000 O\n0.779006 0.500000 0.000000 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Rb",
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O-Rb",
"density": 3.672397235589128,
"density_atomic": 0.0960682240549586,
"volume": 333.09661248336886,
"volume_molar": 6.268608397043814,
"formula_full": "Rb1 Mg14 Mn1 O16",
"formula_reduced": "RbMg14MnO16",
"formula_anonymous": "ABC14D16",
"energy": -198.91462674,
"energy_per_atom": -6.216082085625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -186.25462674,
"band_gap": 0.3529,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:35:05.755000Z",
"spacegroup": 123
},
{
"id": "mp-1038023",
"created_at": "2022-09-04T14:40:51.947296Z",
"structure_string": "Rb1 Mg30 Mn1 O32\n1.0\n8.647576 0.000000 0.000000\n0.000000 8.647576 0.000000\n0.000000 0.000000 8.570535\nRb Mg Mn O\n1 30 1 32\ndirect\n0.000000 0.000000 0.500000 Rb\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.257515 0.000000 0.249598 Mg\n0.257515 0.000000 0.750402 Mg\n0.742485 0.000000 0.249598 Mg\n0.742485 0.000000 0.750402 Mg\n0.250799 0.500000 0.250465 Mg\n0.250799 0.500000 0.749535 Mg\n0.749201 0.500000 0.250465 Mg\n0.749201 0.500000 0.749535 Mg\n0.000000 0.257515 0.249598 Mg\n0.000000 0.257515 0.750402 Mg\n0.500000 0.250799 0.250465 Mg\n0.500000 0.250799 0.749535 Mg\n0.000000 0.742485 0.249598 Mg\n0.000000 0.742485 0.750402 Mg\n0.500000 0.749201 0.250465 Mg\n0.500000 0.749201 0.749535 Mg\n0.251017 0.251017 0.000000 Mg\n0.253305 0.253305 0.500000 Mg\n0.748983 0.251017 0.000000 Mg\n0.746695 0.253305 0.500000 Mg\n0.251017 0.748983 0.000000 Mg\n0.253305 0.746695 0.500000 Mg\n0.748983 0.748983 0.000000 Mg\n0.746695 0.746695 0.500000 Mg\n0.000000 0.000000 0.000000 Mn\n0.000000 0.252045 0.000000 O\n0.000000 0.278749 0.500000 O\n0.500000 0.250606 0.000000 O\n0.500000 0.255527 0.500000 O\n0.000000 0.747955 0.000000 O\n0.000000 0.721251 0.500000 O\n0.500000 0.749394 0.000000 O\n0.500000 0.744473 0.500000 O\n0.248816 0.248816 0.249704 O\n0.248816 0.248816 0.750296 O\n0.751184 0.248816 0.249704 O\n0.751184 0.248816 0.750296 O\n0.248816 0.751184 0.249704 O\n0.248816 0.751184 0.750296 O\n0.751184 0.751184 0.249704 O\n0.751184 0.751184 0.750296 O\n0.000000 0.000000 0.217472 O\n0.000000 0.000000 0.782528 O\n0.500000 0.000000 0.243168 O\n0.500000 0.000000 0.756832 O\n0.000000 0.500000 0.243168 O\n0.000000 0.500000 0.756832 O\n0.500000 0.500000 0.247660 O\n0.500000 0.500000 0.752340 O\n0.252045 0.000000 0.000000 O\n0.278749 0.000000 0.500000 O\n0.747955 0.000000 0.000000 O\n0.721251 0.000000 0.500000 O\n0.250606 0.500000 0.000000 O\n0.255527 0.500000 0.500000 O\n0.749394 0.500000 0.000000 O\n0.744473 0.500000 0.500000 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
"Rb",
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O-Rb",
"density": 3.5794376227202256,
"density_atomic": 0.0998580925545449,
"volume": 640.909498296712,
"volume_molar": 6.030698770568406,
"formula_full": "Rb1 Mg30 Mn1 O32",
"formula_reduced": "RbMg30MnO32",
"formula_anonymous": "ABC30D32",
"energy": -402.76169552,
"energy_per_atom": -6.2931514925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -379.10969552,
"band_gap": 1.995,
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"is_magnetic": true,
"total_magnetization": 4.004884,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.991000Z",
"spacegroup": 123
},
{
"id": "mp-1032468",
"created_at": "2022-09-04T14:46:13.801054Z",
"structure_string": "Rb1 Mg6 Mn1 O8\n1.0\n8.704108 0.000000 0.000000\n0.000000 4.565392 0.000000\n0.000000 0.000000 4.565392\nRb Mg Mn O\n1 6 1 8\ndirect\n0.500000 0.000000 0.000000 Rb\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.246626 0.000000 0.500000 Mg\n0.753374 0.000000 0.500000 Mg\n0.246626 0.500000 0.000000 Mg\n0.753374 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mn\n0.218323 0.000000 0.000000 O\n0.781677 0.000000 0.000000 O\n0.248246 0.500000 0.500000 O\n0.751754 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Rb",
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O-Rb",
"density": 3.7915023011342472,
"density_atomic": 0.0881941064834865,
"volume": 181.4180180281757,
"volume_molar": 6.828280256036823,
"formula_full": "Rb1 Mg6 Mn1 O8",
"formula_reduced": "RbMg6MnO8",
"formula_anonymous": "ABC6D8",
"energy": -97.50277627,
"energy_per_atom": -6.093923516875,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.33877627,
"band_gap": 1.1896000000000004,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:28.291000Z",
"spacegroup": 123
},
{
"id": "mp-1210378",
"created_at": "2022-09-04T14:43:52.457726Z",
"structure_string": "Rb8 Mg8 Mo12 O48\n1.0\n10.980230 0.000000 0.000000\n0.000000 10.980230 0.000000\n0.000000 0.000000 10.980230\nRb Mg Mo O\n8 8 12 48\ndirect\n0.052139 0.052139 0.052139 Rb\n0.447861 0.947861 0.552139 Rb\n0.947861 0.552139 0.447861 Rb\n0.552139 0.447861 0.947861 Rb\n0.819081 0.819081 0.819081 Rb\n0.680919 0.180919 0.319081 Rb\n0.180919 0.319081 0.680919 Rb\n0.319081 0.680919 0.180919 Rb\n0.336708 0.336708 0.336708 Mg\n0.163292 0.663292 0.836708 Mg\n0.663292 0.836708 0.163292 Mg\n0.836708 0.163292 0.663292 Mg\n0.604739 0.604739 0.604739 Mg\n0.895261 0.395261 0.104739 Mg\n0.395261 0.104739 0.895261 Mg\n0.104739 0.895261 0.395261 Mg\n0.022259 0.210463 0.376464 Mo\n0.477741 0.789537 0.876464 Mo\n0.977741 0.710463 0.123536 Mo\n0.376464 0.022259 0.210463 Mo\n0.522259 0.289537 0.623536 Mo\n0.876464 0.477741 0.789537 Mo\n0.123536 0.977741 0.710463 Mo\n0.623536 0.522259 0.289537 Mo\n0.210463 0.376464 0.022259 Mo\n0.710463 0.123536 0.977741 Mo\n0.289537 0.623536 0.522259 Mo\n0.789537 0.876464 0.477741 Mo\n0.016781 0.053992 0.327350 O\n0.483219 0.946008 0.827350 O\n0.983219 0.553992 0.172650 O\n0.327350 0.016781 0.053992 O\n0.516781 0.446008 0.672650 O\n0.827350 0.483219 0.946008 O\n0.172650 0.983219 0.553992 O\n0.672650 0.516781 0.446008 O\n0.053992 0.327350 0.016781 O\n0.553992 0.172650 0.983219 O\n0.446008 0.672650 0.516781 O\n0.946008 0.827350 0.483219 O\n0.270195 0.486150 0.436257 O\n0.229805 0.513850 0.936257 O\n0.729805 0.986150 0.063743 O\n0.436257 0.270195 0.486150 O\n0.770195 0.013850 0.563743 O\n0.936257 0.229805 0.513850 O\n0.063743 0.729805 0.986150 O\n0.563743 0.770195 0.013850 O\n0.486150 0.436257 0.270195 O\n0.986150 0.063743 0.729805 O\n0.013850 0.563743 0.770195 O\n0.513850 0.936257 0.229805 O\n0.050142 0.804547 0.235751 O\n0.449858 0.195453 0.735751 O\n0.949858 0.304547 0.264249 O\n0.235751 0.050142 0.804547 O\n0.550142 0.695453 0.764249 O\n0.735751 0.449858 0.195453 O\n0.264249 0.949858 0.304547 O\n0.764249 0.550142 0.695453 O\n0.804547 0.235751 0.050142 O\n0.304547 0.264249 0.949858 O\n0.695453 0.764249 0.550142 O\n0.195453 0.735751 0.449858 O\n0.175339 0.258510 0.402711 O\n0.324661 0.741490 0.902711 O\n0.824661 0.758510 0.097289 O\n0.402711 0.175339 0.258510 O\n0.675339 0.241490 0.597289 O\n0.902711 0.324661 0.741490 O\n0.097289 0.824661 0.758510 O\n0.597289 0.675339 0.241490 O\n0.258510 0.402711 0.175339 O\n0.758510 0.097289 0.824661 O\n0.241490 0.597289 0.675339 O\n0.741490 0.902711 0.324661 O\n",
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"elements": [
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"Mo",
"O"
],
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"density": 3.50892893391467,
"density_atomic": 0.05740890726690271,
"volume": 1323.8363804185383,
"volume_molar": 10.489906613275453,
"formula_full": "Rb8 Mg8 Mo12 O48",
"formula_reduced": "Rb2Mg2(MoO4)3",
"formula_anonymous": "A2B2C3D12",
"energy": -566.13270655,
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"updated_at": "2021-11-28T01:36:32.562000Z",
"spacegroup": 198
},
{
"id": "mp-1220125",
"created_at": "2022-09-04T14:46:16.368791Z",
"structure_string": "Rb12 Mg4 Nb20 O60\n1.0\n6.639277 0.000000 0.000000\n0.000000 11.715738 0.000000\n0.000000 0.000000 19.658076\nRb Mg Nb O\n12 4 20 60\ndirect\n0.296277 0.418626 0.447594 Rb\n0.291310 0.073766 0.441575 Rb\n0.290793 0.757079 0.443453 Rb\n0.791310 0.426234 0.558425 Rb\n0.796277 0.081374 0.552406 Rb\n0.790793 0.742921 0.556547 Rb\n0.708690 0.573766 0.058425 Rb\n0.709207 0.257079 0.056547 Rb\n0.703723 0.918626 0.052406 Rb\n0.203723 0.581374 0.947594 Rb\n0.209207 0.242921 0.943453 Rb\n0.208690 0.926234 0.941575 Rb\n0.804563 0.416492 0.214733 Mg\n0.304563 0.083508 0.785267 Mg\n0.195437 0.916492 0.285267 Mg\n0.695437 0.583508 0.714733 Mg\n0.269855 0.416575 0.135040 Nb\n0.262133 0.081287 0.143349 Nb\n0.262233 0.752009 0.142947 Nb\n0.762133 0.418713 0.856651 Nb\n0.769855 0.083425 0.864960 Nb\n0.762233 0.747991 0.857053 Nb\n0.737867 0.581287 0.356651 Nb\n0.737767 0.252009 0.357053 Nb\n0.730145 0.916575 0.364960 Nb\n0.230145 0.583425 0.635040 Nb\n0.237767 0.247991 0.642947 Nb\n0.237867 0.918713 0.643349 Nb\n0.811387 0.083637 0.220761 Nb\n0.811628 0.749821 0.220544 Nb\n0.311387 0.416363 0.779239 Nb\n0.311628 0.750179 0.779456 Nb\n0.188613 0.583637 0.279239 Nb\n0.188372 0.249821 0.279456 Nb\n0.688372 0.250179 0.720544 Nb\n0.688613 0.916363 0.720761 Nb\n0.340893 0.417631 0.045107 O\n0.332367 0.083528 0.054729 O\n0.332181 0.749116 0.053997 O\n0.832367 0.416472 0.945271 O\n0.840893 0.082369 0.954893 O\n0.832181 0.750884 0.946003 O\n0.667633 0.583528 0.445271 O\n0.667819 0.249116 0.446003 O\n0.659107 0.917631 0.454893 O\n0.159107 0.582369 0.545107 O\n0.167819 0.250884 0.553997 O\n0.167633 0.916472 0.554729 O\n0.978079 0.417092 0.130790 O\n0.959429 0.080664 0.134868 O\n0.959376 0.752546 0.134301 O\n0.459429 0.419336 0.865132 O\n0.478079 0.082908 0.869210 O\n0.459376 0.747454 0.865699 O\n0.040571 0.580664 0.365132 O\n0.040624 0.252546 0.365699 O\n0.021921 0.917092 0.369210 O\n0.521921 0.582908 0.630790 O\n0.540624 0.247454 0.634301 O\n0.540571 0.919336 0.634868 O\n0.148859 0.416659 0.260719 O\n0.143717 0.087444 0.258223 O\n0.143532 0.745966 0.257841 O\n0.643717 0.412556 0.741777 O\n0.648859 0.083341 0.739281 O\n0.643532 0.754034 0.742159 O\n0.856283 0.587444 0.241777 O\n0.856468 0.245966 0.242159 O\n0.851141 0.916659 0.239281 O\n0.351141 0.583341 0.760719 O\n0.356468 0.254034 0.757841 O\n0.356283 0.912556 0.758223 O\n0.737008 0.416453 0.331571 O\n0.746833 0.087513 0.328511 O\n0.746952 0.745993 0.328258 O\n0.246833 0.412487 0.671489 O\n0.237008 0.083547 0.668429 O\n0.246952 0.754007 0.671742 O\n0.253167 0.587513 0.171489 O\n0.253048 0.245993 0.171742 O\n0.262992 0.916453 0.168429 O\n0.762992 0.583547 0.831571 O\n0.753048 0.254007 0.828258 O\n0.753167 0.912487 0.828511 O\n0.532062 0.416988 0.175857 O\n0.558702 0.083834 0.180228 O\n0.558832 0.749383 0.179957 O\n0.058702 0.416166 0.819772 O\n0.032062 0.083012 0.824143 O\n0.058832 0.750617 0.820043 O\n0.441298 0.583834 0.319772 O\n0.441168 0.249383 0.320043 O\n0.467938 0.916988 0.324143 O\n0.967938 0.583012 0.675857 O\n0.941168 0.250617 0.679957 O\n0.941298 0.916166 0.680228 O\n",
"nsites": 96,
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"elements": [
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"Mg",
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"O"
],
"chemical_system": "Mg-Nb-O-Rb",
"density": 4.279724769048465,
"density_atomic": 0.06278267038127996,
"volume": 1529.0843702090203,
"volume_molar": 9.592043032619449,
"formula_full": "Rb12 Mg4 Nb20 O60",
"formula_reduced": "Rb3MgNb5O15",
"formula_anonymous": "AB3C5D15",
"energy": -796.50569709,
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"energy_uncorrected": -755.28569709,
"band_gap": 2.0066,
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"updated_at": "2021-11-28T01:37:31.216000Z",
"spacegroup": 19
},
{
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{
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{
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{
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]
}