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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=12131",
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"results": [
{
"id": "mp-1173738",
"created_at": "2022-09-04T14:40:52.629029Z",
"structure_string": "Na3 Mg4 Sc1 Si8 O22 F2\n1.0\n5.268176 0.468661 0.875825\n0.728065 8.661720 4.828909\n-0.571440 -0.031165 10.371993\nNa Mg Sc Si O F\n3 4 1 8 22 2\ndirect\n0.499819 0.278117 0.443840 Na\n0.499819 0.726968 0.545306 Na\n0.927616 0.528696 0.000321 Na\n0.000404 0.997898 0.004364 Mg\n0.499934 0.086862 0.826857 Mg\n0.499823 0.910396 0.180172 Mg\n0.000047 0.818135 0.364145 Mg\n0.999925 0.183128 0.634631 Sc\n0.207926 0.118076 0.335885 Si\n0.206889 0.459954 0.660664 Si\n0.285626 0.634152 0.168920 Si\n0.286806 0.801151 0.832912 Si\n0.714113 0.196397 0.169549 Si\n0.712547 0.365654 0.833260 Si\n0.791468 0.546688 0.336696 Si\n0.792003 0.881400 0.659273 Si\n0.068338 0.526464 0.249516 O\n0.197749 0.115648 0.493760 O\n0.068164 0.778399 0.750494 O\n0.200874 0.607731 0.503736 O\n0.273801 0.285554 0.668509 O\n0.216093 0.802167 0.167191 O\n0.291228 0.654610 0.000592 O\n0.432176 0.222857 0.242423 O\n0.214319 0.970500 0.831998 O\n0.271846 0.953286 0.331797 O\n0.430488 0.461797 0.761226 O\n0.571668 0.536493 0.238286 O\n0.705440 0.344215 0.001169 O\n0.724057 0.047236 0.667603 O\n0.784506 0.030346 0.166894 O\n0.573274 0.775192 0.764612 O\n0.785883 0.196782 0.832750 O\n0.726130 0.715516 0.332135 O\n0.799693 0.391333 0.493563 O\n0.930192 0.224684 0.249956 O\n0.795814 0.889054 0.503214 O\n0.930442 0.471561 0.751449 O\n0.293732 0.099656 0.000339 F\n0.709328 0.897247 0.999991 F\n",
"nsites": 40,
"nelements": 6,
"elements": [
"Na",
"Mg",
"Sc",
"Si",
"O",
"F"
],
"chemical_system": "F-Mg-Na-O-Sc-Si",
"density": 2.8956843523561604,
"density_atomic": 0.08446572016490607,
"volume": 473.5648961721545,
"volume_molar": 7.129686159358748,
"formula_full": "Na3 Mg4 Sc1 Si8 O22 F2",
"formula_reduced": "Na3Mg4ScSi8(O11F)2",
"formula_anonymous": "AB2C3D4E8F22",
"energy": -302.72821897,
"energy_per_atom": -7.56820547425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -286.69021897,
"band_gap": 4.619199999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0046049,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.490000Z",
"spacegroup": 1
},
{
"id": "mp-1173812",
"created_at": "2022-09-04T14:43:54.816794Z",
"structure_string": "Na6 Mg8 Sc2 Si16 O44 F4\n1.0\n10.531283 0.944414 1.776406\n0.719834 8.652358 4.821137\n-0.587155 -0.031171 10.357354\nNa Mg Sc Si O F\n6 8 2 16 44 4\ndirect\n0.999822 0.501801 0.998450 Na\n0.245008 0.275326 0.448984 Na\n0.254992 0.724674 0.551016 Na\n0.500178 0.498199 0.001550 Na\n0.755137 0.275398 0.448613 Na\n0.744863 0.724602 0.551387 Na\n0.000056 0.001156 0.997590 Mg\n0.247630 0.087399 0.823899 Mg\n0.252370 0.912601 0.176101 Mg\n0.499944 0.998844 0.002410 Mg\n0.500146 0.818172 0.363124 Mg\n0.752259 0.088922 0.823894 Mg\n0.747741 0.911078 0.176106 Mg\n0.999854 0.181828 0.636876 Mg\n0.500029 0.182833 0.634345 Sc\n0.999971 0.817167 0.365655 Sc\n0.103935 0.119201 0.340757 Si\n0.104678 0.453662 0.664615 Si\n0.143140 0.633746 0.166459 Si\n0.142881 0.803159 0.830567 Si\n0.357119 0.196841 0.169433 Si\n0.356860 0.366254 0.833541 Si\n0.395322 0.546338 0.335385 Si\n0.396065 0.880799 0.659243 Si\n0.604762 0.117576 0.335730 Si\n0.603967 0.459768 0.659987 Si\n0.642844 0.633977 0.168689 Si\n0.642794 0.800778 0.832804 Si\n0.857206 0.199222 0.167196 Si\n0.857156 0.366023 0.831311 Si\n0.896033 0.540232 0.340013 Si\n0.895238 0.882424 0.664270 Si\n0.033767 0.527980 0.247729 O\n0.100439 0.111104 0.497898 O\n0.033720 0.775226 0.751132 O\n0.100073 0.608496 0.506751 O\n0.138053 0.284711 0.668629 O\n0.108024 0.802127 0.166924 O\n0.147055 0.654151 0.998622 O\n0.214966 0.223260 0.239851 O\n0.135889 0.954380 0.331473 O\n0.106917 0.969003 0.833375 O\n0.215513 0.464287 0.760861 O\n0.284487 0.535713 0.239139 O\n0.352945 0.345849 0.001378 O\n0.393083 0.030997 0.166625 O\n0.364111 0.045620 0.668527 O\n0.285034 0.776740 0.760149 O\n0.391976 0.197873 0.833076 O\n0.361947 0.715289 0.331371 O\n0.399927 0.391504 0.493249 O\n0.466280 0.224774 0.248868 O\n0.399561 0.888896 0.502102 O\n0.466233 0.472020 0.752271 O\n0.533873 0.526376 0.248335 O\n0.600319 0.114699 0.493632 O\n0.533920 0.776249 0.750961 O\n0.600290 0.608867 0.502941 O\n0.635854 0.285934 0.668734 O\n0.606882 0.802413 0.166379 O\n0.646503 0.653383 0.000470 O\n0.715635 0.224338 0.239550 O\n0.638169 0.952755 0.331597 O\n0.607649 0.969481 0.832696 O\n0.714946 0.462823 0.761148 O\n0.785054 0.537177 0.238852 O\n0.853497 0.346617 0.999530 O\n0.892351 0.030519 0.167304 O\n0.861831 0.047245 0.668403 O\n0.784365 0.775662 0.760450 O\n0.893118 0.197587 0.833621 O\n0.864146 0.714066 0.331266 O\n0.899710 0.391133 0.497059 O\n0.966080 0.223751 0.249039 O\n0.899681 0.885301 0.506368 O\n0.966127 0.473624 0.751665 O\n0.146211 0.101094 0.000966 F\n0.353789 0.898906 0.999034 F\n0.646285 0.101795 0.999391 F\n0.853715 0.898205 0.000609 F\n",
"nsites": 80,
"nelements": 6,
"elements": [
"Na",
"Mg",
"Sc",
"Si",
"O",
"F"
],
"chemical_system": "F-Mg-Na-O-Sc-Si",
"density": 2.9033797953920124,
"density_atomic": 0.08469019253789879,
"volume": 944.6194134486124,
"volume_molar": 7.110788840520225,
"formula_full": "Na6 Mg8 Sc2 Si16 O44 F4",
"formula_reduced": "Na3Mg4ScSi8(O11F)2",
"formula_anonymous": "AB2C3D4E8F22",
"energy": -605.48478486,
"energy_per_atom": -7.56855981075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -573.40878486,
"band_gap": 4.553699999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0131184,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:22.177000Z",
"spacegroup": 15
},
{
"id": "mp-729027",
"created_at": "2022-09-04T14:42:12.909907Z",
"structure_string": "Na1 Mn6 Al3 H42 S2 O38\n1.0\n11.387089 -4.800838 0.000000\n11.387089 4.800838 0.000000\n9.363039 0.000000 8.065193\nNa Mn Al H S O\n1 6 3 42 2 38\ndirect\n0.000000 0.000000 0.000000 Na\n0.166110 0.496349 0.833801 Mn\n0.833801 0.166110 0.496349 Mn\n0.496349 0.833801 0.166110 Mn\n0.833890 0.503651 0.166199 Mn\n0.166199 0.833890 0.503651 Mn\n0.503651 0.166199 0.833890 Mn\n0.835960 0.835960 0.835960 Al\n0.164040 0.164040 0.164040 Al\n0.500000 0.500000 0.500000 Al\n0.039975 0.326259 0.310136 H\n0.310136 0.039975 0.326259 H\n0.326259 0.310136 0.039975 H\n0.960025 0.673741 0.689864 H\n0.689864 0.960025 0.673741 H\n0.673741 0.689864 0.960025 H\n0.007804 0.979084 0.699409 H\n0.699409 0.007804 0.979084 H\n0.979084 0.699409 0.007804 H\n0.992196 0.020916 0.300591 H\n0.300591 0.992196 0.020916 H\n0.020916 0.300591 0.992196 H\n0.362677 0.626551 0.689835 H\n0.689835 0.362677 0.626551 H\n0.626551 0.689835 0.362677 H\n0.637323 0.373449 0.310165 H\n0.310165 0.637323 0.373449 H\n0.373449 0.310165 0.637323 H\n0.470088 0.638009 0.784313 H\n0.784313 0.470088 0.638009 H\n0.638009 0.784313 0.470088 H\n0.529912 0.361991 0.215687 H\n0.215687 0.529912 0.361991 H\n0.361991 0.215687 0.529912 H\n0.348721 0.549673 0.939603 H\n0.939603 0.348721 0.549673 H\n0.549673 0.939603 0.348721 H\n0.651279 0.450327 0.060397 H\n0.060397 0.651279 0.450327 H\n0.450327 0.060397 0.651279 H\n0.209324 0.853954 0.777320 H\n0.777320 0.209324 0.853954 H\n0.853954 0.777320 0.209324 H\n0.790676 0.146046 0.222680 H\n0.222680 0.790676 0.146046 H\n0.146046 0.222680 0.790676 H\n0.199334 0.029864 0.631727 H\n0.631727 0.199334 0.029864 H\n0.029864 0.631727 0.199334 H\n0.800666 0.970136 0.368273 H\n0.368273 0.800666 0.970136 H\n0.970136 0.368273 0.800666 H\n0.295326 0.295326 0.295326 S\n0.704674 0.704674 0.704674 S\n0.659353 0.659353 0.659353 O\n0.340647 0.340647 0.340647 O\n0.113953 0.392313 0.335165 O\n0.335165 0.113953 0.392313 O\n0.392313 0.335165 0.113953 O\n0.886047 0.607687 0.664835 O\n0.664835 0.886047 0.607687 O\n0.607687 0.664835 0.886047 O\n0.000723 0.295033 0.292139 O\n0.292139 0.000723 0.295033 O\n0.295033 0.292139 0.000723 O\n0.999277 0.704967 0.707861 O\n0.707861 0.999277 0.704967 O\n0.704967 0.707861 0.999277 O\n0.965162 0.964655 0.667800 O\n0.667800 0.965162 0.964655 O\n0.964655 0.667800 0.965162 O\n0.034838 0.035345 0.332200 O\n0.332200 0.034838 0.035345 O\n0.035345 0.332200 0.034838 O\n0.334080 0.621447 0.636709 O\n0.636709 0.334080 0.621447 O\n0.621447 0.636709 0.334080 O\n0.665920 0.378553 0.363291 O\n0.363291 0.665920 0.378553 O\n0.378553 0.363291 0.665920 O\n0.363987 0.640914 0.828281 O\n0.828281 0.363987 0.640914 O\n0.640914 0.828281 0.363987 O\n0.636013 0.359086 0.171719 O\n0.171719 0.636013 0.359086 O\n0.359086 0.171719 0.636013 O\n0.131142 0.972538 0.744131 O\n0.744131 0.131142 0.972538 O\n0.972538 0.744131 0.131142 O\n0.868858 0.027462 0.255869 O\n0.255869 0.868858 0.027462 O\n0.027462 0.255869 0.868858 O\n",
"nsites": 92,
"nelements": 6,
"elements": [
"Na",
"Mn",
"Al",
"H",
"S",
"O"
],
"chemical_system": "Al-H-Mn-Na-O-S",
"density": 2.161810991510924,
"density_atomic": 0.10433098335648004,
"volume": 881.8089990166458,
"volume_molar": 5.7721499081662415,
"formula_full": "Na1 Mn6 Al3 H42 S2 O38",
"formula_reduced": "NaMn6Al3H42(SO19)2",
"formula_anonymous": "AB2C3D6E38F42",
"energy": -557.85975133,
"energy_per_atom": -6.0636929492391305,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -521.74575133,
"band_gap": 2.5885,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 30.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.341000Z",
"spacegroup": 148
},
{
"id": "mp-1221365",
"created_at": "2022-09-04T14:43:15.313667Z",
"structure_string": "Na4 Mn2 Cd2 Fe2 P6 O24\n1.0\n6.641977 0.000000 0.000000\n-2.471265 8.504467 0.000000\n-2.575911 -1.129893 8.453311\nNa Mn Cd Fe P O\n4 2 2 2 6 24\ndirect\n0.750939 0.022009 0.977548 Na\n0.249052 0.978481 0.022629 Na\n0.745314 0.732321 0.266817 Na\n0.503532 0.503861 0.494807 Na\n0.357422 0.931480 0.619875 Mn\n0.144862 0.378198 0.071190 Mn\n0.251985 0.267629 0.732229 Cd\n0.993715 0.507074 0.495097 Cd\n0.639854 0.061071 0.383092 Fe\n0.860278 0.618476 0.936504 Fe\n0.365241 0.656167 0.865507 P\n0.127716 0.134312 0.345548 P\n0.635207 0.340072 0.135764 P\n0.873145 0.863638 0.659062 P\n0.752787 0.285398 0.717877 P\n0.247671 0.720596 0.275786 P\n0.397894 0.831418 0.838444 O\n0.098973 0.159619 0.170500 O\n0.625903 0.168388 0.180167 O\n0.876178 0.821000 0.830038 O\n0.588016 0.644066 0.976934 O\n0.906408 0.015925 0.352068 O\n0.407978 0.323084 0.011901 O\n0.097763 0.992221 0.681370 O\n0.545539 0.171403 0.743930 O\n0.959996 0.254878 0.829740 O\n0.453733 0.850669 0.261377 O\n0.039811 0.739155 0.148788 O\n0.300588 0.542116 0.707373 O\n0.180637 0.290666 0.457099 O\n0.682548 0.454265 0.286303 O\n0.835750 0.714622 0.548052 O\n0.759693 0.261927 0.543190 O\n0.745713 0.458950 0.741591 O\n0.208680 0.737746 0.438608 O\n0.287352 0.559171 0.260456 O\n0.177570 0.600817 0.940802 O\n0.322401 0.062800 0.404743 O\n0.818803 0.404820 0.057084 O\n0.683354 0.939494 0.590110 O\n",
"nsites": 40,
"nelements": 6,
"elements": [
"Na",
"Mn",
"Cd",
"Fe",
"P",
"O"
],
"chemical_system": "Cd-Fe-Mn-Na-O-P",
"density": 3.8537741919784536,
"density_atomic": 0.08377003107756972,
"volume": 477.497733801252,
"volume_molar": 7.188896413830375,
"formula_full": "Na4 Mn2 Cd2 Fe2 P6 O24",
"formula_reduced": "Na2MnCdFe(PO4)3",
"formula_anonymous": "ABCD2E3F12",
"energy": -291.42090589000003,
"energy_per_atom": -7.2855226472500005,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -267.08490589,
"band_gap": 1.2773,
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"is_magnetic": true,
"total_magnetization": 20.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.763000Z",
"spacegroup": 1
},
{
"id": "mp-1173728",
"created_at": "2022-09-04T14:40:30.688871Z",
"structure_string": "Na4 Mn2 Cd2 Fe2 P6 O24\n1.0\n6.425747 6.143399 0.000000\n-6.425747 6.143399 0.000000\n0.000000 2.749584 6.051796\nNa Mn Cd Fe P O\n4 2 2 2 6 24\ndirect\n0.980070 0.019930 0.500000 Na\n0.024637 0.975363 0.000000 Na\n0.501837 0.498279 0.250698 Na\n0.501721 0.498163 0.749302 Na\n0.375348 0.070909 0.611037 Mn\n0.929091 0.624652 0.388963 Mn\n0.270896 0.729104 0.500000 Cd\n0.730117 0.269883 0.000000 Cd\n0.617560 0.933063 0.883785 Fe\n0.066937 0.382440 0.116215 Fe\n0.659187 0.872096 0.375551 P\n0.127904 0.340813 0.624449 P\n0.342829 0.132471 0.121714 P\n0.867529 0.657171 0.878286 P\n0.719726 0.280274 0.500000 P\n0.284530 0.715470 0.000000 P\n0.154161 0.165712 0.656622 O\n0.834288 0.845839 0.343378 O\n0.815365 0.825349 0.874254 O\n0.174651 0.184635 0.125746 O\n0.256381 0.827037 0.792003 O\n0.172963 0.743619 0.207997 O\n0.739701 0.153147 0.709647 O\n0.846853 0.260299 0.290353 O\n0.316548 0.008340 0.350885 O\n0.991660 0.683452 0.649115 O\n0.655342 0.991828 0.149234 O\n0.008172 0.344658 0.850766 O\n0.280284 0.455481 0.571380 O\n0.544519 0.719716 0.428620 O\n0.720881 0.537526 0.924583 O\n0.462474 0.279119 0.075417 O\n0.557632 0.260198 0.466035 O\n0.739802 0.442368 0.533965 O\n0.459479 0.740813 0.001397 O\n0.259187 0.540521 0.998603 O\n0.605012 0.946353 0.566575 O\n0.053647 0.394988 0.433425 O\n0.403276 0.052197 0.938044 O\n0.947803 0.596724 0.061956 O\n",
"nsites": 40,
"nelements": 6,
"elements": [
"Na",
"Mn",
"Cd",
"Fe",
"P",
"O"
],
"chemical_system": "Cd-Fe-Mn-Na-O-P",
"density": 3.851332001734183,
"density_atomic": 0.08371694484509515,
"volume": 477.80052263031837,
"volume_molar": 7.193455006203357,
"formula_full": "Na4 Mn2 Cd2 Fe2 P6 O24",
"formula_reduced": "Na2MnCdFe(PO4)3",
"formula_anonymous": "ABCD2E3F12",
"energy": -291.49157549,
"energy_per_atom": -7.28728938725,
"energy_above_hull": null,
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"energy_uncorrected": -267.15557549,
"band_gap": 1.2365,
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"is_magnetic": true,
"total_magnetization": 20.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.459000Z",
"spacegroup": 5
},
{
"id": "mp-1173820",
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{
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{
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{
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"formula_full": "Na2 Mn4 Fe2 Ag2 P6 O24",
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{
"id": "mp-1197360",
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"structure_string": "Na4 Mn6 P4 H4 C16 O36\n1.0\n10.724454 0.000000 0.000000\n0.000000 5.929151 0.000000\n0.000000 3.972450 15.103674\nNa Mn P H C O\n4 6 4 4 16 36\ndirect\n0.247545 0.698212 0.678687 Na\n0.252455 0.698212 0.178687 Na\n0.752455 0.301788 0.321313 Na\n0.747545 0.301788 0.821313 Na\n0.054865 0.166141 0.742342 Mn\n0.445135 0.166141 0.242342 Mn\n0.945135 0.833859 0.257658 Mn\n0.554865 0.833859 0.757658 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.186356 0.112855 0.954760 P\n0.313644 0.112855 0.454760 P\n0.813644 0.887145 0.045240 P\n0.686356 0.887145 0.545240 P\n0.066742 0.955888 0.071237 H\n0.433258 0.955888 0.571237 H\n0.933258 0.044112 0.928763 H\n0.566742 0.044112 0.428763 H\n0.845554 0.820012 0.764050 C\n0.654446 0.820012 0.264050 C\n0.154446 0.179988 0.235950 C\n0.345554 0.179988 0.735950 C\n0.965827 0.680512 0.755799 C\n0.534173 0.680512 0.255799 C\n0.034173 0.319488 0.244201 C\n0.465827 0.319488 0.744201 C\n0.030527 0.472667 0.546886 C\n0.469473 0.472667 0.046886 C\n0.969473 0.527333 0.453114 C\n0.530527 0.527333 0.953114 C\n0.166770 0.415706 0.952173 C\n0.333230 0.415706 0.452173 C\n0.833230 0.584294 0.047827 C\n0.666770 0.584294 0.547827 C\n0.322897 0.077590 0.936436 O\n0.177103 0.077590 0.436436 O\n0.677103 0.922410 0.063564 O\n0.822897 0.922410 0.563564 O\n0.085745 0.067826 0.891174 O\n0.414255 0.067826 0.391174 O\n0.914255 0.932174 0.108826 O\n0.585745 0.932174 0.608826 O\n0.156650 0.954504 0.052684 O\n0.343350 0.954504 0.552684 O\n0.843350 0.045496 0.947316 O\n0.656650 0.045496 0.447316 O\n0.859124 0.035645 0.757437 O\n0.640876 0.035645 0.257437 O\n0.140876 0.964355 0.242563 O\n0.359124 0.964355 0.742563 O\n0.743611 0.708187 0.776769 O\n0.756389 0.708187 0.276769 O\n0.256389 0.291813 0.223231 O\n0.243611 0.291813 0.723231 O\n0.953694 0.463985 0.764092 O\n0.546306 0.463985 0.264092 O\n0.046306 0.536015 0.235908 O\n0.453694 0.536015 0.735908 O\n0.065870 0.797639 0.740539 O\n0.434130 0.797639 0.240539 O\n0.934130 0.202361 0.259461 O\n0.565870 0.202361 0.759461 O\n0.066438 0.643235 0.575225 O\n0.433562 0.643235 0.075225 O\n0.933562 0.356765 0.424775 O\n0.566438 0.356765 0.924775 O\n0.039126 0.257376 0.588440 O\n0.460874 0.257376 0.088440 O\n0.960874 0.742624 0.411560 O\n0.539126 0.742624 0.911560 O\n",
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"formula_full": "Na4 Mn6 P4 H4 C16 O36",
"formula_reduced": "Na2Mn3P2H2(C4O9)2",
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]
}