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{
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"results": [
{
"id": "mp-849337",
"created_at": "2022-09-04T14:44:30.367787Z",
"structure_string": "Na1 Li3 Ti2 Fe2 P6 O24\n1.0\n7.895100 -4.237351 0.000000\n7.895100 4.237351 0.000000\n5.620886 0.000000 6.978064\nNa Li Ti Fe P O\n1 3 2 2 6 24\ndirect\n0.495506 0.495506 0.495506 Na\n0.261489 0.922424 0.674611 Li\n0.674611 0.261489 0.922424 Li\n0.922424 0.674611 0.261489 Li\n0.853260 0.853260 0.853260 Ti\n0.142635 0.142635 0.142635 Ti\n0.353937 0.353937 0.353937 Fe\n0.652462 0.652462 0.652462 Fe\n0.248756 0.535888 0.967958 P\n0.042774 0.749671 0.460061 P\n0.460061 0.042774 0.749671 P\n0.535888 0.967958 0.248756 P\n0.967958 0.248756 0.535888 P\n0.749671 0.460061 0.042774 P\n0.469689 0.863088 0.752780 O\n0.752780 0.469689 0.863088 O\n0.194985 0.381751 0.000983 O\n0.115269 0.740488 0.877543 O\n0.266824 0.110190 0.900777 O\n0.863088 0.752780 0.469689 O\n0.993638 0.805126 0.622895 O\n0.458695 0.507997 0.823047 O\n0.201398 0.550927 0.479991 O\n0.622895 0.993638 0.805126 O\n0.110190 0.900777 0.266824 O\n0.479991 0.201398 0.550927 O\n0.507997 0.823047 0.458695 O\n0.877543 0.115269 0.740488 O\n0.381751 0.000983 0.194985 O\n0.823047 0.458695 0.507997 O\n0.550927 0.479991 0.201398 O\n0.000983 0.194985 0.381751 O\n0.162456 0.213358 0.528059 O\n0.740488 0.877543 0.115269 O\n0.900777 0.266824 0.110190 O\n0.805126 0.622895 0.993638 O\n0.213358 0.528059 0.162456 O\n0.528059 0.162456 0.213358 O\n",
"nsites": 38,
"nelements": 6,
"elements": [
"Na",
"Li",
"Ti",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-Na-O-P-Ti",
"density": 2.9201797611647256,
"density_atomic": 0.08138916206873556,
"volume": 466.8926308383403,
"volume_molar": 7.3991924808294804,
"formula_full": "Na1 Li3 Ti2 Fe2 P6 O24",
"formula_reduced": "NaLi3Ti2Fe2(PO4)6",
"formula_anonymous": "AB2C2D3E6F24",
"energy": -295.11910956,
"energy_per_atom": -7.766292356842106,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -274.11910956,
"band_gap": 2.4483,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 9.9988096,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:44.307000Z",
"spacegroup": 146
},
{
"id": "mp-849338",
"created_at": "2022-09-04T14:39:40.780391Z",
"structure_string": "Mn8 O14 F2\n1.0\n5.485048 0.000000 0.000000\n0.000000 4.961201 0.000000\n0.000000 4.934819 8.923388\nMn O F\n8 14 2\ndirect\n0.834207 0.249084 0.005203 Mn\n0.143816 0.727790 0.004618 Mn\n0.632093 0.518126 0.241886 Mn\n0.349065 0.998402 0.254541 Mn\n0.165793 0.249084 0.505203 Mn\n0.856184 0.727790 0.504618 Mn\n0.650935 0.998402 0.754541 Mn\n0.367907 0.518126 0.741886 Mn\n0.880436 0.807748 0.114219 O\n0.107513 0.294864 0.118616 O\n0.601246 0.290652 0.135349 O\n0.381175 0.792741 0.131994 O\n0.613040 0.713168 0.365781 O\n0.387806 0.219274 0.364641 O\n0.112233 0.687647 0.385592 O\n0.892487 0.294864 0.618616 O\n0.119564 0.807748 0.614219 O\n0.618825 0.792741 0.631994 O\n0.398754 0.290652 0.635349 O\n0.612194 0.219274 0.864641 O\n0.386960 0.713168 0.865781 O\n0.887767 0.687647 0.885592 O\n0.878691 0.200501 0.377559 F\n0.121309 0.200501 0.877559 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.7970612363104035,
"density_atomic": 0.0988357835510276,
"volume": 242.82703225202965,
"volume_molar": 6.09307736897826,
"formula_full": "Mn8 O14 F2",
"formula_reduced": "Mn4O7F",
"formula_anonymous": "AB4C7",
"energy": -191.66675087,
"energy_per_atom": -7.986114619583333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -167.78075087,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 25.9990917,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.349000Z",
"spacegroup": 7
},
{
"id": "mp-849339",
"created_at": "2022-09-04T14:41:20.416661Z",
"structure_string": "Mn6 O10 F2\n1.0\n3.160600 4.445337 0.000000\n-3.160600 4.445337 0.000000\n0.000000 2.861362 6.653842\nMn O F\n6 10 2\ndirect\n0.325882 0.325882 0.155545 Mn\n0.672227 0.672227 0.331070 Mn\n0.343808 0.343808 0.679541 Mn\n0.669075 0.669075 0.837110 Mn\n0.996126 0.996126 0.491561 Mn\n0.995279 0.995279 0.008719 Mn\n0.972785 0.361325 0.333103 O\n0.637615 0.029458 0.665048 O\n0.768803 0.768803 0.038785 O\n0.896747 0.896747 0.294789 O\n0.227495 0.227495 0.966449 O\n0.569124 0.569124 0.627699 O\n0.029458 0.637615 0.665048 O\n0.361325 0.972785 0.333103 O\n0.692411 0.304004 0.000486 O\n0.304004 0.692411 0.000486 O\n0.104633 0.104633 0.704068 F\n0.433202 0.433202 0.367388 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.685898540961782,
"density_atomic": 0.09627107011649423,
"volume": 186.972056903687,
"volume_molar": 6.255400249226295,
"formula_full": "Mn6 O10 F2",
"formula_reduced": "Mn3O5F",
"formula_anonymous": "AB3C5",
"energy": -143.24666745,
"energy_per_atom": -7.958148191666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -125.44466745,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.205000Z",
"spacegroup": 8
},
{
"id": "mp-849340",
"created_at": "2022-09-04T14:45:16.790028Z",
"structure_string": "Li4 V3 Cr3 O12\n1.0\n5.175306 0.000000 0.000000\n1.766016 5.737598 0.000000\n1.648976 1.181725 7.611747\nLi V Cr O\n4 3 3 12\ndirect\n0.495882 0.833998 0.164952 Li\n0.504118 0.166002 0.835048 Li\n0.001817 0.666011 0.334920 Li\n0.998183 0.333989 0.665080 Li\n0.001420 0.830027 0.673875 V\n0.000000 0.500000 0.000000 V\n0.998580 0.169973 0.326125 V\n0.495886 0.669186 0.832812 Cr\n0.504114 0.330814 0.167188 Cr\n0.500000 0.000000 0.500000 Cr\n0.749860 0.817038 0.903130 O\n0.258744 0.984100 0.732446 O\n0.751857 0.690386 0.597501 O\n0.734923 0.361756 0.924631 O\n0.225072 0.868808 0.421686 O\n0.229371 0.527106 0.754725 O\n0.770629 0.472894 0.245275 O\n0.774928 0.131192 0.578314 O\n0.265077 0.638244 0.075369 O\n0.248143 0.309614 0.402499 O\n0.741256 0.015900 0.267554 O\n0.250140 0.182962 0.096870 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"V",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O-V",
"density": 3.88329858448854,
"density_atomic": 0.09733570665690344,
"volume": 226.02188606435385,
"volume_molar": 6.186980057819188,
"formula_full": "Li4 V3 Cr3 O12",
"formula_reduced": "Li4V3Cr3O12",
"formula_anonymous": "A3B3C4D12",
"energy": -176.17830879000002,
"energy_per_atom": -8.008104945000001,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -156.83730879,
"band_gap": 0.9132000000000002,
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"is_magnetic": true,
"total_magnetization": 12.9973539,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:58.131000Z",
"spacegroup": 2
},
{
"id": "mp-849342",
"created_at": "2022-09-04T14:40:28.583064Z",
"structure_string": "Mn10 O5 F15\n1.0\n3.375213 -3.525217 0.000000\n3.375213 3.525217 0.000000\n0.000000 0.000000 15.852864\nMn O F\n10 5 15\ndirect\n0.962007 0.962007 0.199485 Mn\n0.036054 0.036054 0.000000 Mn\n0.962007 0.962007 0.800515 Mn\n0.026881 0.026881 0.399833 Mn\n0.026881 0.026881 0.600167 Mn\n0.493135 0.493135 0.300296 Mn\n0.500173 0.500173 0.900015 Mn\n0.500173 0.500173 0.099985 Mn\n0.493135 0.493135 0.699704 Mn\n0.497745 0.497745 0.500000 Mn\n0.334607 0.334607 0.000000 O\n0.323410 0.323410 0.400077 O\n0.323410 0.323410 0.599923 O\n0.663568 0.663568 0.799618 O\n0.663568 0.663568 0.200382 O\n0.791572 0.196163 0.699593 F\n0.796075 0.203422 0.900176 F\n0.796075 0.203422 0.099824 F\n0.791572 0.196163 0.300407 F\n0.818713 0.208646 0.500000 F\n0.278027 0.278027 0.800746 F\n0.278027 0.278027 0.199254 F\n0.719391 0.719391 0.000000 F\n0.707988 0.707988 0.404464 F\n0.707988 0.707988 0.595536 F\n0.203422 0.796075 0.900176 F\n0.203422 0.796075 0.099824 F\n0.196163 0.791572 0.300407 F\n0.196163 0.791572 0.699593 F\n0.208646 0.818713 0.500000 F\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.024745817263496,
"density_atomic": 0.07952368278627618,
"volume": 377.24611020124007,
"volume_molar": 7.572763922647799,
"formula_full": "Mn10 O5 F15",
"formula_reduced": "Mn2OF3",
"formula_anonymous": "AB2C3",
"energy": -223.98495347,
"energy_per_atom": -7.466165115666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -196.93995347,
"band_gap": 0.0508999999999999,
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"is_magnetic": true,
"total_magnetization": 45.0006628,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.261000Z",
"spacegroup": 38
},
{
"id": "mp-849343",
"created_at": "2022-09-04T14:42:07.563938Z",
"structure_string": "Li2 Mn2 P8 O24\n1.0\n9.006313 0.000000 0.000000\n0.000000 6.986095 0.000000\n0.000000 0.606573 7.182753\nLi Mn P O\n2 2 8 24\ndirect\n0.352462 0.666860 0.693423 Li\n0.852462 0.333140 0.306577 Li\n0.926909 0.768030 0.233194 Mn\n0.426909 0.231970 0.766806 Mn\n0.369641 0.020434 0.415912 P\n0.569553 0.925074 0.091263 P\n0.733333 0.603623 0.588405 P\n0.386609 0.564492 0.064315 P\n0.886609 0.435508 0.935685 P\n0.233333 0.396377 0.411595 P\n0.069553 0.074926 0.908737 P\n0.869641 0.979566 0.584088 P\n0.947951 0.979546 0.782394 O\n0.543204 0.021434 0.897592 O\n0.977950 0.883478 0.457896 O\n0.721596 0.929783 0.172278 O\n0.737168 0.827070 0.630871 O\n0.310120 0.828300 0.478991 O\n0.529855 0.699234 0.091695 O\n0.267127 0.674436 0.962832 O\n0.790318 0.588437 0.388856 O\n0.860152 0.505983 0.720091 O\n0.940362 0.614172 0.022749 O\n0.582400 0.528674 0.635839 O\n0.082400 0.471326 0.364161 O\n0.440362 0.385828 0.977251 O\n0.360152 0.494017 0.279909 O\n0.290318 0.411563 0.611144 O\n0.767127 0.325564 0.037168 O\n0.029855 0.300766 0.908305 O\n0.810120 0.171700 0.521009 O\n0.237168 0.172930 0.369129 O\n0.221596 0.070217 0.827722 O\n0.477950 0.116522 0.542104 O\n0.043204 0.978566 0.102408 O\n0.447951 0.020454 0.217606 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.7760707615101707,
"density_atomic": 0.07965811870221663,
"volume": 451.9313358953107,
"volume_molar": 7.559983662823339,
"formula_full": "Li2 Mn2 P8 O24",
"formula_reduced": "LiMn(PO3)4",
"formula_anonymous": "ABC4D12",
"energy": -274.6181808,
"energy_per_atom": -7.6282828,
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"updated_at": "2021-11-28T01:35:32.940000Z",
"spacegroup": 4
},
{
"id": "mp-849345",
"created_at": "2022-09-04T14:45:28.019165Z",
"structure_string": "Li8 Mn8 Si12 O36\n1.0\n6.356291 0.000000 0.000000\n0.000000 9.730646 0.000000\n0.000000 0.000000 12.459326\nLi Mn Si O\n8 8 12 36\ndirect\n0.140315 0.558278 0.086388 Li\n0.140315 0.941722 0.086388 Li\n0.640315 0.058278 0.413612 Li\n0.640315 0.441722 0.413612 Li\n0.359685 0.558278 0.586388 Li\n0.359685 0.941722 0.586388 Li\n0.859685 0.058278 0.913612 Li\n0.859685 0.441722 0.913612 Li\n0.692420 0.495433 0.156365 Mn\n0.692420 0.004567 0.156365 Mn\n0.192420 0.995433 0.343635 Mn\n0.192420 0.504567 0.343635 Mn\n0.807580 0.495433 0.656365 Mn\n0.807580 0.004567 0.656365 Mn\n0.307580 0.995433 0.843635 Mn\n0.307580 0.504567 0.843635 Mn\n0.522077 0.750000 0.032818 Si\n0.043484 0.250000 0.076521 Si\n0.427187 0.250000 0.217223 Si\n0.927187 0.750000 0.282777 Si\n0.543484 0.750000 0.423479 Si\n0.022077 0.250000 0.467182 Si\n0.977923 0.750000 0.532818 Si\n0.456516 0.250000 0.576521 Si\n0.072813 0.250000 0.717223 Si\n0.572813 0.750000 0.782777 Si\n0.956516 0.750000 0.923479 Si\n0.477923 0.250000 0.967182 Si\n0.784843 0.750000 0.025182 O\n0.921284 0.105175 0.066888 O\n0.921284 0.394825 0.066888 O\n0.447455 0.609298 0.090759 O\n0.447455 0.890702 0.090759 O\n0.545068 0.250000 0.098155 O\n0.989684 0.894402 0.224490 O\n0.989684 0.605598 0.224490 O\n0.171927 0.250000 0.193227 O\n0.671927 0.750000 0.306773 O\n0.489684 0.105598 0.275510 O\n0.489684 0.394402 0.275510 O\n0.045068 0.750000 0.401845 O\n0.947455 0.109298 0.409241 O\n0.947455 0.390702 0.409241 O\n0.421284 0.605175 0.433112 O\n0.421284 0.894825 0.433112 O\n0.284843 0.250000 0.474818 O\n0.715157 0.750000 0.525182 O\n0.578716 0.105175 0.566888 O\n0.578716 0.394825 0.566888 O\n0.052545 0.609298 0.590759 O\n0.052545 0.890702 0.590759 O\n0.954932 0.250000 0.598155 O\n0.510316 0.605598 0.724490 O\n0.510316 0.894402 0.724490 O\n0.328073 0.250000 0.693227 O\n0.828073 0.750000 0.806773 O\n0.010316 0.105598 0.775510 O\n0.010316 0.394402 0.775510 O\n0.454932 0.750000 0.901845 O\n0.552545 0.109298 0.909241 O\n0.552545 0.390702 0.909241 O\n0.078716 0.605175 0.933112 O\n0.078716 0.894825 0.933112 O\n0.215157 0.250000 0.974818 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Si",
"O"
],
"chemical_system": "Li-Mn-O-Si",
"density": 3.034052535507729,
"density_atomic": 0.08305006558892024,
"volume": 770.6194997700072,
"volume_molar": 7.251217343774642,
"formula_full": "Li8 Mn8 Si12 O36",
"formula_reduced": "Li2Mn2(SiO3)3",
"formula_anonymous": "A2B2C3D9",
"energy": -508.60671278,
"energy_per_atom": -7.9469798871875,
"energy_above_hull": null,
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"energy_uncorrected": -470.53071278,
"band_gap": 3.0765,
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"is_magnetic": true,
"total_magnetization": 40.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:52.964000Z",
"spacegroup": 62
},
{
"id": "mp-849346",
"created_at": "2022-09-04T14:48:27.024349Z",
"structure_string": "Li16 Mn8 Si8 O32\n1.0\n5.452657 0.000000 0.000000\n0.000000 10.615627 0.000000\n0.000000 0.000000 13.187270\nLi Mn Si O\n16 8 8 32\ndirect\n0.969042 0.971976 0.560802 Li\n0.461285 0.952848 0.942725 Li\n0.367823 0.212619 0.300512 Li\n0.851034 0.207481 0.202273 Li\n0.851034 0.292519 0.702273 Li\n0.367823 0.287381 0.800512 Li\n0.969042 0.528024 0.060802 Li\n0.461285 0.547152 0.442725 Li\n0.538715 0.452848 0.942725 Li\n0.030958 0.471976 0.560802 Li\n0.632177 0.712619 0.300512 Li\n0.148966 0.707481 0.202273 Li\n0.148966 0.792519 0.702273 Li\n0.632177 0.787381 0.800512 Li\n0.030958 0.028024 0.060802 Li\n0.538715 0.047152 0.442725 Li\n0.968774 0.035777 0.812666 Mn\n0.517654 0.206376 0.057001 Mn\n0.517654 0.293624 0.557001 Mn\n0.968774 0.464223 0.312666 Mn\n0.031226 0.535777 0.812666 Mn\n0.482346 0.706376 0.057001 Mn\n0.482346 0.793624 0.557001 Mn\n0.031226 0.964223 0.312666 Mn\n0.478129 0.035082 0.690373 Si\n0.024332 0.210923 0.437171 Si\n0.024332 0.289077 0.937171 Si\n0.478129 0.464918 0.190373 Si\n0.521871 0.535082 0.690373 Si\n0.975668 0.710923 0.437171 Si\n0.975668 0.789077 0.937171 Si\n0.521871 0.964918 0.190373 Si\n0.394543 0.023010 0.294839 O\n0.813282 0.010928 0.188097 O\n0.898136 0.070273 0.433785 O\n0.393035 0.027272 0.088320 O\n0.524796 0.190061 0.692133 O\n0.012358 0.228844 0.820767 O\n0.322058 0.195488 0.455765 O\n0.894786 0.198243 0.023502 O\n0.894786 0.301757 0.523502 O\n0.322058 0.304512 0.955765 O\n0.012358 0.271156 0.320767 O\n0.524796 0.309939 0.192133 O\n0.393035 0.472728 0.588320 O\n0.898136 0.429727 0.933785 O\n0.813282 0.489072 0.688097 O\n0.394543 0.476990 0.794839 O\n0.605457 0.523010 0.294839 O\n0.186718 0.510928 0.188097 O\n0.101864 0.570273 0.433785 O\n0.606965 0.527272 0.088320 O\n0.475204 0.690061 0.692133 O\n0.987642 0.728844 0.820767 O\n0.677942 0.695488 0.455765 O\n0.105214 0.698243 0.023502 O\n0.105214 0.801757 0.523502 O\n0.677942 0.804512 0.955765 O\n0.987642 0.771156 0.320767 O\n0.475204 0.809939 0.192133 O\n0.606965 0.972728 0.588320 O\n0.101864 0.929727 0.933785 O\n0.186718 0.989072 0.688097 O\n0.605457 0.976990 0.794839 O\n",
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"elements": [
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],
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"density": 2.8002376440441825,
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"formula_full": "Li16 Mn8 Si8 O32",
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"updated_at": "2021-11-28T01:39:14.033000Z",
"spacegroup": 29
},
{
"id": "mp-849351",
"created_at": "2022-09-04T14:42:51.174637Z",
"structure_string": "Li2 Mn2 P4 O14\n1.0\n6.167681 0.771067 -0.180883\n1.059356 7.194061 -0.470793\n0.872576 2.534581 5.697867\nLi Mn P O\n2 2 4 14\ndirect\n0.333337 0.156136 0.911677 Li\n0.666670 0.843825 0.088336 Li\n0.057041 0.784343 0.729400 Mn\n0.942953 0.215682 0.270573 Mn\n0.181722 0.760032 0.211251 P\n0.390286 0.306713 0.364701 P\n0.609720 0.693293 0.635298 P\n0.818273 0.239965 0.788755 P\n0.991334 0.246240 0.939458 O\n0.057692 0.865556 0.391599 O\n0.242988 0.274554 0.207452 O\n0.270733 0.534982 0.374327 O\n0.357279 0.863129 0.067503 O\n0.384214 0.169243 0.603392 O\n0.375412 0.671013 0.753446 O\n0.624590 0.329003 0.246562 O\n0.615798 0.830741 0.396607 O\n0.642744 0.136836 0.932512 O\n0.729212 0.465012 0.625708 O\n0.757035 0.725459 0.792536 O\n0.942296 0.134471 0.608381 O\n0.008674 0.753771 0.060524 O\n",
"nsites": 22,
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"elements": [
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"chemical_system": "Li-Mn-O-P",
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"volume": 255.8566839227485,
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"formula_full": "Li2 Mn2 P4 O14",
"formula_reduced": "LiMnP2O7",
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},
{
"id": "mp-849356",
"created_at": "2022-09-04T14:40:27.970746Z",
"structure_string": "Li8 Mn6 Fe2 P8 O32\n1.0\n7.790739 0.000000 0.000000\n-1.920014 7.553354 0.000000\n-0.013673 -0.010338 10.534103\nLi Mn Fe P O\n8 6 2 8 32\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.250136 0.249604 0.500334 Li\n0.749907 0.249578 0.999659 Li\n0.500000 0.500000 0.000000 Li\n0.250093 0.750422 0.000341 Li\n0.749864 0.750396 0.499666 Li\n0.361453 0.111691 0.781453 Mn\n0.137931 0.388151 0.218578 Mn\n0.361422 0.611690 0.718803 Mn\n0.638578 0.388310 0.281197 Mn\n0.862069 0.611849 0.781422 Mn\n0.638547 0.888309 0.218547 Mn\n0.860583 0.110283 0.718196 Fe\n0.139417 0.889717 0.281804 Fe\n0.079002 0.329071 0.906486 P\n0.418544 0.168632 0.093005 P\n0.582357 0.330545 0.592612 P\n0.080820 0.832563 0.591676 P\n0.919180 0.167437 0.408324 P\n0.417643 0.669455 0.407388 P\n0.581456 0.831368 0.906995 P\n0.920998 0.670929 0.093514 P\n0.085171 0.130623 0.338246 O\n0.257959 0.008041 0.097038 O\n0.112616 0.161989 0.837041 O\n0.019133 0.269333 0.043813 O\n0.479611 0.229891 0.956027 O\n0.385253 0.336446 0.162051 O\n0.586476 0.135364 0.162013 O\n0.088132 0.637194 0.163028 O\n0.240193 0.490182 0.903261 O\n0.258203 0.507581 0.404357 O\n0.757219 0.007890 0.404097 O\n0.415038 0.363586 0.662232 O\n0.619664 0.164827 0.662476 O\n0.113355 0.664995 0.661521 O\n0.019630 0.771013 0.454790 O\n0.520022 0.268602 0.455972 O\n0.479978 0.731398 0.544028 O\n0.980370 0.228987 0.545210 O\n0.886645 0.335005 0.338479 O\n0.380336 0.835173 0.337524 O\n0.584962 0.636414 0.337768 O\n0.741797 0.492419 0.595643 O\n0.242781 0.992110 0.595903 O\n0.759807 0.509818 0.096739 O\n0.911868 0.362806 0.836972 O\n0.413524 0.864636 0.837987 O\n0.614747 0.663554 0.837949 O\n0.520389 0.770109 0.043973 O\n0.980867 0.730667 0.956187 O\n0.887384 0.838011 0.162959 O\n0.742041 0.991959 0.902962 O\n0.914829 0.869377 0.661754 O\n",
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"formula_full": "Li8 Mn6 Fe2 P8 O32",
"formula_reduced": "Li4Mn3Fe(PO4)4",
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},
{
"id": "mp-849358",
"created_at": "2022-09-04T14:46:15.910209Z",
"structure_string": "Mn6 O4 F8\n1.0\n4.895979 0.000055 -0.000001\n0.000055 4.895980 0.000001\n-0.000001 0.000002 9.359242\nMn O F\n6 4 8\ndirect\n0.500001 0.499994 0.165251 Mn\n0.000004 0.000000 0.316961 Mn\n0.499996 0.500009 0.516204 Mn\n0.000000 0.000000 0.665316 Mn\n0.000001 0.000000 0.016106 Mn\n0.500006 0.499998 0.817071 Mn\n0.183033 0.816966 0.166342 O\n0.316980 0.316978 0.666305 O\n0.683020 0.683019 0.666304 O\n0.816964 0.183035 0.166342 O\n0.186769 0.813233 0.481199 F\n0.185736 0.814265 0.853264 F\n0.313243 0.313244 0.981196 F\n0.314262 0.314264 0.353243 F\n0.686755 0.686757 0.981196 F\n0.685735 0.685734 0.353243 F\n0.813231 0.186769 0.481200 F\n0.814264 0.185736 0.853262 F\n",
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],
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},
{
"id": "mp-849361",
"created_at": "2022-09-04T14:45:54.115011Z",
"structure_string": "Li4 V4 F20\n1.0\n10.057343 0.000000 0.000000\n0.000000 5.225780 0.000000\n0.000000 1.889193 6.371482\nLi V F\n4 4 20\ndirect\n0.743466 0.944980 0.884267 Li\n0.756534 0.944980 0.384267 Li\n0.243466 0.055020 0.615733 Li\n0.256534 0.055020 0.115733 Li\n0.968841 0.554335 0.743861 V\n0.468841 0.445665 0.756139 V\n0.531159 0.554335 0.243861 V\n0.031159 0.445665 0.256139 V\n0.084275 0.843341 0.695108 F\n0.824269 0.782955 0.675100 F\n0.365076 0.752034 0.689054 F\n0.591713 0.602896 0.903187 F\n0.415725 0.843341 0.195108 F\n0.675731 0.782955 0.175100 F\n0.134924 0.752034 0.189054 F\n0.588953 0.628436 0.521169 F\n0.088953 0.371564 0.978831 F\n0.908287 0.602896 0.403187 F\n0.091713 0.397104 0.596813 F\n0.911047 0.628436 0.021169 F\n0.411047 0.371564 0.478831 F\n0.865076 0.247966 0.810946 F\n0.324269 0.217045 0.824900 F\n0.584275 0.156659 0.804892 F\n0.408287 0.397104 0.096813 F\n0.634924 0.247966 0.310946 F\n0.175731 0.217045 0.324900 F\n0.915725 0.156659 0.304892 F\n",
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],
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"formula_full": "Li4 V4 F20",
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"spacegroup": 14
}
]
}