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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-elements&page=117",
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"results": [
{
"id": "mp-760055",
"created_at": "2022-09-04T14:44:23.712546Z",
"structure_string": "Li3 Mn3 V3 P6 H6 O30\n1.0\n-2.702379 5.089008 4.712959\n4.281315 9.277421 -4.874070\n-4.525192 2.076885 -4.623021\nLi Mn V P H O\n3 3 3 6 6 30\ndirect\n0.696231 0.158206 0.746469 Li\n0.640627 0.507003 0.919985 Li\n0.304031 0.840354 0.253229 Li\n0.668242 0.333175 0.333510 Mn\n0.329827 0.664435 0.670105 Mn\n0.001507 0.999488 0.999681 Mn\n0.666388 0.834902 0.830655 V\n0.335930 0.166195 0.171145 V\n0.000340 0.501298 0.497164 V\n0.928831 0.301725 0.949241 P\n0.742345 0.030320 0.382733 P\n0.406007 0.362650 0.717811 P\n0.594669 0.637066 0.282465 P\n0.259854 0.967924 0.616491 P\n0.073938 0.699021 0.049724 P\n0.330817 0.016828 0.957243 H\n0.999148 0.335308 0.316203 H\n0.662044 0.681865 0.626396 H\n0.334738 0.332346 0.349251 H\n0.000041 0.663009 0.688701 H\n0.670001 0.983860 0.042607 H\n0.920220 0.193842 0.860559 O\n0.409452 0.234769 0.889758 O\n0.922346 0.429221 0.776662 O\n0.903488 0.720979 0.903650 O\n0.737307 0.135957 0.478701 O\n0.915464 0.015323 0.260211 O\n0.418253 0.469485 0.807360 O\n0.582354 0.338296 0.599199 O\n0.911313 0.368946 0.405242 O\n0.574372 0.050937 0.233792 O\n0.260762 0.093165 0.440936 O\n0.745339 0.972683 0.924119 O\n0.247214 0.681769 0.927342 O\n0.585807 0.693114 0.744228 O\n0.238584 0.387228 0.568974 O\n0.759362 0.615473 0.434389 O\n0.422458 0.297644 0.260995 O\n0.752374 0.325138 0.068514 O\n0.256842 0.027107 0.076389 O\n0.737566 0.904120 0.558688 O\n0.428010 0.949070 0.765924 O\n0.086977 0.629901 0.598471 O\n0.417936 0.657855 0.401031 O\n0.597841 0.531138 0.187913 O\n0.086638 0.981975 0.740253 O\n0.268794 0.860945 0.522708 O\n0.096570 0.278271 0.097112 O\n0.069867 0.574055 0.224984 O\n0.589164 0.765788 0.109615 O\n0.079708 0.806357 0.140841 O\n",
"nsites": 51,
"nelements": 6,
"elements": [
"Li",
"Mn",
"V",
"P",
"H",
"O"
],
"chemical_system": "H-Li-Mn-O-P-V",
"density": 3.0994828168100264,
"density_atomic": 0.09422050100203815,
"volume": 541.2834728919217,
"volume_molar": 6.391539734934896,
"formula_full": "Li3 Mn3 V3 P6 H6 O30",
"formula_reduced": "LiMnVP2(HO5)2",
"formula_anonymous": "ABCD2E2F10",
"energy": -380.59985255,
"energy_per_atom": -7.462742206862745,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -349.88585255,
"band_gap": 0.8283,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.9999999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:42.789000Z",
"spacegroup": 1
},
{
"id": "mp-849423",
"created_at": "2022-09-04T14:45:18.591974Z",
"structure_string": "Li6 Mn3 V3 P6 H6 O30\n1.0\n5.460984 0.000000 0.000000\n-2.658195 6.953998 0.000000\n-0.314774 -1.643651 14.460060\nLi Mn V P H O\n6 3 3 6 6 30\ndirect\n0.261638 0.865308 0.693767 Li\n0.067600 0.466780 0.641690 Li\n0.404095 0.796963 0.974079 Li\n0.601055 0.203476 0.024834 Li\n0.931527 0.532679 0.359394 Li\n0.735184 0.133429 0.306887 Li\n0.335511 0.335410 0.834783 Mn\n0.333172 0.333643 0.333378 Mn\n0.668108 0.667989 0.666369 Mn\n0.662393 0.663872 0.165850 V\n0.999909 0.000073 0.500150 V\n0.000601 0.999090 0.999215 V\n0.013518 0.379997 0.148538 P\n0.311291 0.951779 0.184408 P\n0.349363 0.715660 0.481840 P\n0.651049 0.284967 0.517981 P\n0.683393 0.047549 0.814134 P\n0.988613 0.619174 0.852580 P\n0.052894 0.989748 0.326632 H\n0.284656 0.347029 0.007946 H\n0.388273 0.325418 0.658687 H\n0.615034 0.677060 0.341030 H\n0.715175 0.652559 0.991778 H\n0.946406 0.010313 0.674506 H\n0.090749 0.830371 0.901104 O\n0.039048 0.837759 0.218548 O\n0.141079 0.798436 0.448661 O\n0.204641 0.540732 0.884585 O\n0.296479 0.955815 0.077338 O\n0.020185 0.375369 0.254214 O\n0.355595 0.712741 0.587526 O\n0.248038 0.504903 0.432629 O\n0.050931 0.100489 0.370264 O\n0.287770 0.494471 0.115074 O\n0.285756 0.237866 0.962917 O\n0.577552 0.836194 0.765860 O\n0.522428 0.869485 0.213978 O\n0.388019 0.435372 0.703447 O\n0.624956 0.828583 0.448379 O\n0.375483 0.171368 0.551113 O\n0.615100 0.566486 0.296775 O\n0.464991 0.126592 0.787286 O\n0.416253 0.162450 0.232876 O\n0.719514 0.762073 0.037780 O\n0.720604 0.507378 0.889014 O\n0.948589 0.899979 0.630095 O\n0.752196 0.495603 0.567044 O\n0.644925 0.288374 0.412070 O\n0.977908 0.623256 0.746885 O\n0.704813 0.042371 0.921300 O\n0.803744 0.461654 0.115917 O\n0.858983 0.201935 0.550973 O\n0.949379 0.161043 0.777354 O\n0.913839 0.170887 0.098544 O\n",
"nsites": 54,
"nelements": 6,
"elements": [
"Li",
"Mn",
"V",
"P",
"H",
"O"
],
"chemical_system": "H-Li-Mn-O-P-V",
"density": 3.118159071755183,
"density_atomic": 0.09833728174121079,
"volume": 549.1304929712115,
"volume_molar": 6.1239650449644945,
"formula_full": "Li6 Mn3 V3 P6 H6 O30",
"formula_reduced": "Li2MnVP2(HO5)2",
"formula_anonymous": "ABC2D2E2F10",
"energy": -397.47439363,
"energy_per_atom": -7.360636919074074,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -366.76039363,
"band_gap": 0.5207999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 18.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:00.769000Z",
"spacegroup": 1
},
{
"id": "mp-759379",
"created_at": "2022-09-04T14:45:57.880007Z",
"structure_string": "Li2 Mn2 V2 P4 H4 O20\n1.0\n-6.785674 0.000000 0.000000\n0.144185 7.430715 0.000000\n-0.002192 -3.560382 -7.153200\nLi Mn V P H O\n2 2 2 4 4 20\ndirect\n0.173339 0.616828 0.761668 Li\n0.826661 0.383172 0.238332 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.254899 0.749560 0.249998 V\n0.745101 0.250440 0.750002 V\n0.600351 0.725206 0.951078 P\n0.099663 0.223163 0.454418 P\n0.900337 0.776837 0.545582 P\n0.399649 0.274794 0.048922 P\n0.035241 0.319415 0.974891 H\n0.516072 0.833930 0.497434 H\n0.483928 0.166070 0.502566 H\n0.964759 0.680585 0.025109 H\n0.044465 0.820562 0.704708 O\n0.008098 0.708716 0.353308 O\n0.453285 0.665943 0.790979 O\n0.731047 0.905723 0.972249 O\n0.087794 0.761794 0.040246 O\n0.231222 0.411556 0.489634 O\n0.410329 0.729197 0.444958 O\n0.738683 0.546716 0.922661 O\n0.514151 0.212875 0.861650 O\n0.762976 0.955917 0.581097 O\n0.237024 0.044083 0.418903 O\n0.485849 0.787125 0.138350 O\n0.261317 0.453284 0.077339 O\n0.589671 0.270803 0.555042 O\n0.768778 0.588444 0.510366 O\n0.912206 0.238206 0.959754 O\n0.268953 0.094277 0.027751 O\n0.546715 0.334057 0.209021 O\n0.991902 0.291284 0.646692 O\n0.955535 0.179438 0.295292 O\n",
"nsites": 34,
"nelements": 6,
"elements": [
"Li",
"Mn",
"V",
"P",
"H",
"O"
],
"chemical_system": "H-Li-Mn-O-P-V",
"density": 3.100978657109271,
"density_atomic": 0.09426597272449759,
"volume": 360.68158018555266,
"volume_molar": 6.388456604166545,
"formula_full": "Li2 Mn2 V2 P4 H4 O20",
"formula_reduced": "LiMnVP2(HO5)2",
"formula_anonymous": "ABCD2E2F10",
"energy": -253.73950387,
"energy_per_atom": -7.462926584411765,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -233.26350387,
"band_gap": 0.8792,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:13.540000Z",
"spacegroup": 2
},
{
"id": "mp-802127",
"created_at": "2022-09-04T14:40:29.000725Z",
"structure_string": "Li1 Mn1 V1 P2 H2 O10\n1.0\n5.223928 0.000000 0.000000\n-0.941923 5.261605 0.000000\n-1.726507 -2.960614 6.503697\nLi Mn V P H O\n1 1 1 2 2 10\ndirect\n0.622300 0.256233 0.152279 Li\n0.004111 0.008581 0.996516 Mn\n0.493450 0.492823 0.504622 V\n0.087763 0.410586 0.231405 P\n0.900202 0.583838 0.773438 P\n0.301274 0.596175 0.342771 H\n0.691085 0.374374 0.662231 H\n0.423918 0.257191 0.718533 O\n0.902440 0.429946 0.380763 O\n0.075609 0.011545 0.646685 O\n0.562033 0.675503 0.071394 O\n0.970039 0.517025 0.135396 O\n0.982515 0.459112 0.886083 O\n0.431905 0.312597 0.930878 O\n0.945498 0.995641 0.346465 O\n0.108277 0.577118 0.618486 O\n0.571068 0.768078 0.277526 O\n",
"nsites": 17,
"nelements": 6,
"elements": [
"Li",
"Mn",
"V",
"P",
"H",
"O"
],
"chemical_system": "H-Li-Mn-O-P-V",
"density": 3.1283621399873107,
"density_atomic": 0.09509839723801856,
"volume": 178.76221359915536,
"volume_molar": 6.332536546254706,
"formula_full": "Li1 Mn1 V1 P2 H2 O10",
"formula_reduced": "LiMnVP2(HO5)2",
"formula_anonymous": "ABCD2E2F10",
"energy": -71.70679466,
"energy_per_atom": -4.218046744705882,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -66.37079466,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.512000Z",
"spacegroup": 1
},
{
"id": "mp-1177882",
"created_at": "2022-09-04T14:40:07.668041Z",
"structure_string": "Li4 Mn2 V2 P4 H4 O20\n1.0\n6.955908 0.000000 0.000000\n-0.102287 7.495717 0.000000\n-0.216182 -3.553798 7.010271\nLi Mn V P H O\n4 2 2 4 4 20\ndirect\n0.161349 0.584701 0.762741 Li\n0.340583 0.914079 0.739938 Li\n0.658739 0.088871 0.261255 Li\n0.838227 0.413136 0.235132 Li\n0.251165 0.749673 0.249449 Mn\n0.501728 0.499971 0.500979 Mn\n0.999175 0.999997 0.000819 V\n0.748497 0.251270 0.750746 V\n0.590800 0.726625 0.961321 P\n0.097481 0.227380 0.458758 P\n0.907133 0.775459 0.540693 P\n0.404966 0.271443 0.039836 P\n0.042678 0.320563 0.980768 H\n0.545241 0.813277 0.483299 H\n0.455942 0.184822 0.517438 H\n0.956074 0.679275 0.017375 H\n0.054328 0.837519 0.712555 O\n0.012426 0.692837 0.347660 O\n0.439741 0.669757 0.796159 O\n0.717540 0.906815 0.981363 O\n0.076216 0.756317 0.026538 O\n0.221198 0.409139 0.477129 O\n0.424687 0.736461 0.474890 O\n0.720935 0.549416 0.931546 O\n0.504047 0.188324 0.843219 O\n0.776088 0.950811 0.567897 O\n0.227481 0.053047 0.434138 O\n0.491200 0.810131 0.158634 O\n0.275589 0.447488 0.067241 O\n0.577857 0.261424 0.527918 O\n0.782419 0.592757 0.518805 O\n0.921280 0.243178 0.968529 O\n0.278690 0.091854 0.022631 O\n0.558090 0.329185 0.204674 O\n0.992530 0.309284 0.650965 O\n0.947880 0.163714 0.286964 O\n",
"nsites": 36,
"nelements": 6,
"elements": [
"Li",
"Mn",
"V",
"P",
"H",
"O"
],
"chemical_system": "H-Li-Mn-O-P-V",
"density": 3.1230630384552462,
"density_atomic": 0.09849193798033658,
"volume": 365.51214991004866,
"volume_molar": 6.114348934023707,
"formula_full": "Li4 Mn2 V2 P4 H4 O20",
"formula_reduced": "Li2MnVP2(HO5)2",
"formula_anonymous": "ABC2D2E2F10",
"energy": -264.86636256,
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"energy_above_hull": null,
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"energy_uncorrected": -244.39036256,
"band_gap": 0.5952000000000002,
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"is_magnetic": true,
"total_magnetization": 12.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.625000Z",
"spacegroup": 1
},
{
"id": "mp-776591",
"created_at": "2022-09-04T14:41:08.435536Z",
"structure_string": "Li6 Mn3 V3 P6 H6 O30\n1.0\n5.488617 0.000000 0.000000\n-2.547012 6.981971 0.000000\n-0.371794 -1.504200 14.265790\nLi Mn V P H O\n6 3 3 6 6 30\ndirect\n0.256048 0.861944 0.695257 Li\n0.068225 0.465956 0.640715 Li\n0.407819 0.796846 0.974983 Li\n0.593851 0.202624 0.025904 Li\n0.932701 0.538317 0.357767 Li\n0.743236 0.132748 0.305797 Li\n0.335808 0.335428 0.835490 Mn\n0.666757 0.667543 0.667204 Mn\n0.668324 0.667265 0.166145 Mn\n0.334019 0.334194 0.331994 V\n0.994337 0.996795 0.499125 V\n0.001454 0.999051 0.000010 V\n0.013761 0.379104 0.145640 P\n0.320042 0.953629 0.186963 P\n0.348497 0.714940 0.480907 P\n0.640511 0.284691 0.518465 P\n0.681918 0.047810 0.812881 P\n0.992370 0.618723 0.854624 P\n0.052504 0.987548 0.325229 H\n0.278018 0.347635 0.007401 H\n0.390411 0.324811 0.661310 H\n0.616690 0.682550 0.338562 H\n0.722395 0.651754 0.992336 H\n0.943037 0.009134 0.675981 H\n0.093129 0.830530 0.902271 O\n0.059698 0.841219 0.225066 O\n0.137659 0.796243 0.447687 O\n0.211587 0.542771 0.885839 O\n0.297810 0.958389 0.078313 O\n0.036055 0.373437 0.254404 O\n0.351138 0.708349 0.587882 O\n0.249794 0.506036 0.430901 O\n0.054609 0.096966 0.371834 O\n0.274408 0.491689 0.107847 O\n0.280584 0.238223 0.961298 O\n0.576745 0.835540 0.766048 O\n0.541370 0.878278 0.214371 O\n0.388818 0.434348 0.706552 O\n0.619562 0.826432 0.447342 O\n0.371246 0.172760 0.552241 O\n0.617644 0.573460 0.292972 O\n0.461079 0.125247 0.786831 O\n0.423117 0.165502 0.233289 O\n0.721296 0.761005 0.039060 O\n0.729663 0.507918 0.892343 O\n0.942807 0.898834 0.629698 O\n0.744266 0.494632 0.567070 O\n0.629776 0.291785 0.409782 O\n0.979621 0.623028 0.747242 O\n0.705811 0.043167 0.921634 O\n0.792420 0.454500 0.118885 O\n0.852041 0.201627 0.547496 O\n0.942372 0.159415 0.774335 O\n0.911140 0.167628 0.098779 O\n",
"nsites": 54,
"nelements": 6,
"elements": [
"Li",
"Mn",
"V",
"P",
"H",
"O"
],
"chemical_system": "H-Li-Mn-O-P-V",
"density": 3.132110198347163,
"density_atomic": 0.09877725796907867,
"volume": 546.6845416675184,
"volume_molar": 6.09668752081089,
"formula_full": "Li6 Mn3 V3 P6 H6 O30",
"formula_reduced": "Li2MnVP2(HO5)2",
"formula_anonymous": "ABC2D2E2F10",
"energy": -396.84982422,
"energy_per_atom": -7.349070818888889,
"energy_above_hull": null,
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"energy_uncorrected": -366.13582422,
"band_gap": 0.2444999999999999,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.300000Z",
"spacegroup": 1
},
{
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{
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{
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{
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{
"id": "mp-1177933",
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"structure_string": "Li6 Mn3 V3 P6 H6 O30\n1.0\n5.418058 0.000000 0.000000\n-1.960781 7.103578 0.000000\n-1.126826 -1.036258 14.219948\nLi Mn V P H O\n6 3 3 6 6 30\ndirect\n0.849189 0.422696 0.249487 Li\n0.815859 0.243357 0.416959 Li\n0.519928 0.093543 0.915216 Li\n0.482110 0.906211 0.084678 Li\n0.183218 0.756680 0.582883 Li\n0.150346 0.577285 0.750694 Li\n0.666412 0.166560 0.666745 Mn\n0.667108 0.666676 0.666347 Mn\n0.332584 0.332886 0.334062 Mn\n0.999988 0.500174 0.000034 V\n0.000972 0.000676 0.999523 V\n0.333648 0.833413 0.333269 V\n0.807324 0.672016 0.440484 P\n0.859662 0.994322 0.225746 P\n0.468566 0.337958 0.107917 P\n0.531199 0.662751 0.892321 P\n0.142428 0.008762 0.772543 P\n0.190667 0.324212 0.561019 P\n0.936697 0.217730 0.878111 H\n0.724925 0.456779 0.786388 H\n0.390681 0.117286 0.452921 H\n0.608306 0.876315 0.546709 H\n0.277025 0.549579 0.214464 H\n0.062509 0.782588 0.121315 H\n0.864687 0.051624 0.123352 O\n0.940117 0.172287 0.295163 O\n0.965650 0.141707 0.758047 O\n0.899628 0.217469 0.566231 O\n0.898589 0.220585 0.944814 O\n0.755846 0.441801 0.100578 O\n0.725931 0.494372 0.370937 O\n0.801345 0.613293 0.543091 O\n0.773422 0.458664 0.720788 O\n0.377527 0.158709 0.037496 O\n0.464179 0.277659 0.210308 O\n0.437023 0.117483 0.386935 O\n0.703682 0.528440 0.908440 O\n0.629151 0.803758 0.423823 O\n0.433379 0.116491 0.767471 O\n0.572556 0.883987 0.231412 O\n0.366875 0.190919 0.575038 O\n0.295634 0.472188 0.092413 O\n0.560108 0.874434 0.612245 O\n0.535070 0.722780 0.789974 O\n0.623044 0.842359 0.962490 O\n0.229485 0.548978 0.280336 O\n0.194338 0.381890 0.457837 O\n0.273395 0.501100 0.630408 O\n0.244125 0.558728 0.899925 O\n0.102180 0.780081 0.054866 O\n0.094118 0.782282 0.434726 O\n0.038126 0.862550 0.242535 O\n0.060603 0.831560 0.703252 O\n0.138833 0.951367 0.875235 O\n",
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"formula_full": "Li6 Mn3 V3 P6 H6 O30",
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{
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"structure_string": "Li2 Mn2 V2 P4 H4 O20\n1.0\n5.338926 0.000000 0.000000\n-2.578259 6.877930 0.000000\n-0.918645 -3.558041 9.787536\nLi Mn V P H O\n2 2 2 4 4 20\ndirect\n0.562289 0.152077 0.782563 Li\n0.437711 0.847923 0.217437 Li\n0.999619 0.994145 0.747400 Mn\n0.000381 0.005855 0.252600 Mn\n0.500000 0.500000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.129354 0.775265 0.025674 P\n0.121520 0.768117 0.527185 P\n0.870646 0.224735 0.974326 P\n0.878480 0.231883 0.472815 P\n0.718906 0.657539 0.246068 H\n0.693494 0.660114 0.742741 H\n0.281094 0.342461 0.753932 H\n0.306506 0.339886 0.257259 H\n0.325524 0.277083 0.685638 O\n0.700630 0.357611 0.435718 O\n0.804312 0.619290 0.584798 O\n0.311603 0.284975 0.179246 O\n0.179031 0.925802 0.109720 O\n0.177884 0.931845 0.599006 O\n0.206618 0.864527 0.372833 O\n0.793382 0.135473 0.627167 O\n0.688951 0.343994 0.933071 O\n0.814063 0.624164 0.076245 O\n0.195688 0.380710 0.415202 O\n0.299370 0.642389 0.564282 O\n0.227751 0.891677 0.873574 O\n0.772249 0.108323 0.126426 O\n0.820969 0.074198 0.890280 O\n0.822116 0.068155 0.400994 O\n0.674476 0.722917 0.314362 O\n0.185937 0.375836 0.923755 O\n0.311049 0.656006 0.066929 O\n0.688397 0.715025 0.820754 O\n",
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"formula_full": "Li2 Mn2 V2 P4 H4 O20",
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}
]
}