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{
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"results": [
{
"id": "mp-775288",
"created_at": "2022-09-04T14:48:07.341990Z",
"structure_string": "Cr3 Fe2 Sb3 O16\n1.0\n3.036085 5.241700 0.000000\n-3.036085 5.241700 0.000000\n0.000000 0.033526 9.166372\nCr Fe Sb O\n3 2 3 16\ndirect\n0.167818 0.664918 0.210065 Cr\n0.664918 0.167818 0.210065 Cr\n0.829642 0.829642 0.710171 Cr\n0.342753 0.342753 0.489554 Fe\n0.673558 0.673558 0.995903 Fe\n0.167379 0.167379 0.210733 Sb\n0.333690 0.829640 0.712339 Sb\n0.829640 0.333690 0.712339 Sb\n0.169906 0.669020 0.601266 O\n0.474167 0.474167 0.325247 O\n0.332459 0.332459 0.098165 O\n0.999597 0.999597 0.315042 O\n0.997872 0.997872 0.820909 O\n0.669020 0.169906 0.601266 O\n0.049351 0.482321 0.337319 O\n0.482321 0.049351 0.337319 O\n0.835047 0.835047 0.112601 O\n0.165013 0.165013 0.599693 O\n0.518949 0.953683 0.836863 O\n0.953683 0.518949 0.836863 O\n0.664237 0.664237 0.593744 O\n0.331149 0.828809 0.103210 O\n0.516911 0.516911 0.841546 O\n0.828809 0.331149 0.103210 O\n",
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"elements": [
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"Sb",
"O"
],
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"volume": 291.7518115197519,
"volume_molar": 7.320710316487232,
"formula_full": "Cr3 Fe2 Sb3 O16",
"formula_reduced": "Cr3Fe2Sb3O16",
"formula_anonymous": "A2B3C3D16",
"energy": -181.57896996,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:38:25.647000Z",
"spacegroup": 8
},
{
"id": "mp-760579",
"created_at": "2022-09-04T14:48:13.107536Z",
"structure_string": "Ti3 Cu3 Te2 O16\n1.0\n3.003605 5.164248 0.000000\n-3.003605 5.164248 0.000000\n0.000000 0.242696 9.298538\nTi Cu Te O\n3 3 2 16\ndirect\n0.164497 0.662269 0.210704 Ti\n0.662269 0.164497 0.210704 Ti\n0.838952 0.838952 0.706958 Ti\n0.169995 0.169995 0.203893 Cu\n0.341238 0.832811 0.709542 Cu\n0.832811 0.341238 0.709542 Cu\n0.329908 0.329908 0.489185 Te\n0.661754 0.661754 0.983281 Te\n0.169727 0.647742 0.599818 O\n0.477510 0.477510 0.344120 O\n0.341126 0.341126 0.105859 O\n0.997929 0.997929 0.295332 O\n0.998371 0.998371 0.801036 O\n0.647742 0.169727 0.599818 O\n0.045264 0.493202 0.350557 O\n0.493202 0.045264 0.350557 O\n0.820004 0.820004 0.103996 O\n0.167676 0.167676 0.595534 O\n0.529298 0.958541 0.848109 O\n0.958541 0.529298 0.848109 O\n0.670706 0.670706 0.609202 O\n0.349677 0.812212 0.098206 O\n0.519603 0.519603 0.843436 O\n0.812212 0.349677 0.098206 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ti",
"Cu",
"Te",
"O"
],
"chemical_system": "Cu-O-Te-Ti",
"density": 4.866669673767149,
"density_atomic": 0.08319872429696108,
"volume": 288.4659615012465,
"volume_molar": 7.238260935955197,
"formula_full": "Ti3 Cu3 Te2 O16",
"formula_reduced": "Ti3Cu3(TeO8)2",
"formula_anonymous": "A2B3C3D16",
"energy": -167.75383387,
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"energy_above_hull": null,
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"energy_uncorrected": -156.76183387,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:32.294000Z",
"spacegroup": 8
},
{
"id": "mp-773319",
"created_at": "2022-09-04T14:47:26.420677Z",
"structure_string": "Mn3 Cr2 Te3 O16\n1.0\n3.019163 5.540392 0.000000\n-3.019163 5.540392 0.000000\n0.000000 0.706806 9.125285\nMn Cr Te O\n3 2 3 16\ndirect\n0.831851 0.831851 0.789246 Mn\n0.162128 0.662456 0.294413 Mn\n0.662456 0.162128 0.294413 Mn\n0.674181 0.674181 0.499712 Cr\n0.347931 0.347931 0.026465 Cr\n0.333608 0.833039 0.787749 Te\n0.833039 0.333608 0.787749 Te\n0.165909 0.165909 0.287502 Te\n0.343662 0.845655 0.398369 O\n0.524925 0.524925 0.660096 O\n0.645630 0.645630 0.908370 O\n0.015937 0.015937 0.676534 O\n0.010431 0.010431 0.193901 O\n0.845655 0.343662 0.398369 O\n0.499720 0.952486 0.659430 O\n0.952486 0.499720 0.659430 O\n0.157360 0.157360 0.895215 O\n0.837207 0.837207 0.403633 O\n0.042998 0.464484 0.151897 O\n0.464484 0.042998 0.151897 O\n0.316127 0.316127 0.397479 O\n0.183188 0.677419 0.897412 O\n0.468513 0.468513 0.167535 O\n0.677419 0.183188 0.897412 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Cr",
"Te",
"O"
],
"chemical_system": "Cr-Mn-O-Te",
"density": 4.936720451964997,
"density_atomic": 0.07861542286780823,
"volume": 305.2836087946252,
"volume_molar": 7.660253599508362,
"formula_full": "Mn3 Cr2 Te3 O16",
"formula_reduced": "Mn3Cr2Te3O16",
"formula_anonymous": "A2B3C3D16",
"energy": -176.58615852,
"energy_per_atom": -7.357756605,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -156.59215852,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:10.545000Z",
"spacegroup": 8
},
{
"id": "mp-780886",
"created_at": "2022-09-04T14:39:06.597512Z",
"structure_string": "Mn3 Cr3 Co2 O16\n1.0\n5.815800 0.000127 -0.028161\n-2.907785 5.036556 -0.000013\n-0.044784 -0.025933 8.698247\nMn Cr Co O\n3 3 2 16\ndirect\n0.658794 0.829410 0.211334 Mn\n0.828078 0.661892 0.712558 Mn\n0.828075 0.166231 0.712547 Mn\n0.162564 0.832876 0.200479 Cr\n0.162617 0.329681 0.200471 Cr\n0.324252 0.162144 0.701114 Cr\n0.338100 0.669054 0.483109 Co\n0.667595 0.333806 0.982468 Co\n0.173015 0.832265 0.606152 O\n0.059624 0.529804 0.339794 O\n0.339896 0.669937 0.092892 O\n0.994769 0.997388 0.314065 O\n0.992105 0.996089 0.818706 O\n0.173012 0.340766 0.606146 O\n0.476269 0.952533 0.342304 O\n0.476291 0.523759 0.342301 O\n0.348429 0.174197 0.106518 O\n0.659569 0.829802 0.602171 O\n0.523166 0.473839 0.844083 O\n0.523165 0.049373 0.844071 O\n0.671786 0.335920 0.599721 O\n0.832035 0.656737 0.103465 O\n0.954744 0.477383 0.845788 O\n0.832047 0.175315 0.103464 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Mn",
"Cr",
"Co",
"O"
],
"chemical_system": "Co-Cr-Mn-O",
"density": 4.527464083617426,
"density_atomic": 0.09419879569920896,
"volume": 254.78032730519868,
"volume_molar": 6.393012474628242,
"formula_full": "Mn3 Cr3 Co2 O16",
"formula_reduced": "Mn3Cr3(CoO8)2",
"formula_anonymous": "A2B3C3D16",
"energy": -188.60803932,
"energy_per_atom": -7.858668304999999,
"energy_above_hull": null,
"is_stable": null,
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"updated_at": "2021-11-28T01:34:30.669000Z",
"spacegroup": 8
},
{
"id": "mp-757443",
"created_at": "2022-09-04T14:43:06.792979Z",
"structure_string": "Co3 Ni2 Te3 O16\n1.0\n2.998858 5.072300 0.000000\n-2.998858 5.072300 0.000000\n0.000000 0.017113 9.173155\nCo Ni Te O\n3 2 3 16\ndirect\n0.831061 0.831061 0.787842 Co\n0.661260 0.168842 0.289022 Co\n0.168842 0.661260 0.289022 Co\n0.678951 0.678951 0.491726 Ni\n0.345889 0.345889 0.025352 Ni\n0.828749 0.335908 0.785877 Te\n0.335908 0.828749 0.785877 Te\n0.165016 0.165016 0.289330 Te\n0.836807 0.322706 0.399608 O\n0.511540 0.511540 0.662187 O\n0.670179 0.670179 0.904621 O\n0.994714 0.994714 0.672918 O\n0.995015 0.995015 0.183127 O\n0.322706 0.836807 0.399608 O\n0.959389 0.524599 0.669248 O\n0.524599 0.959389 0.669248 O\n0.167005 0.167005 0.899697 O\n0.840078 0.840078 0.384660 O\n0.483467 0.045501 0.163971 O\n0.045501 0.483467 0.163971 O\n0.337484 0.337484 0.396572 O\n0.678575 0.160849 0.896731 O\n0.479464 0.479464 0.177113 O\n0.160849 0.678575 0.896731 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Co",
"Ni",
"Te",
"O"
],
"chemical_system": "Co-Ni-O-Te",
"density": 5.55150037723244,
"density_atomic": 0.08600063945841536,
"volume": 279.0676924164608,
"volume_molar": 7.002437188751297,
"formula_full": "Co3 Ni2 Te3 O16",
"formula_reduced": "Co3Ni2Te3O16",
"formula_anonymous": "A2B3C3D16",
"energy": -150.54209484,
"energy_per_atom": -6.272587285,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:07.946000Z",
"spacegroup": 8
},
{
"id": "mp-1190916",
"created_at": "2022-09-04T14:48:22.646056Z",
"structure_string": "Ag2 Te3 Mo3 O16\n1.0\n5.775109 5.253162 0.000000\n-5.775109 5.253162 0.000000\n0.000000 4.611362 5.973648\nAg Te Mo O\n2 3 3 16\ndirect\n0.096037 0.903963 0.500000 Ag\n0.532189 0.467811 0.000000 Ag\n0.593987 0.406013 0.500000 Te\n0.977463 0.469843 0.998535 Te\n0.530157 0.022537 0.001465 Te\n0.615577 0.937577 0.466966 Mo\n0.062423 0.384423 0.533034 Mo\n0.999498 0.000502 0.000000 Mo\n0.865120 0.457620 0.437878 O\n0.542380 0.134880 0.562122 O\n0.718230 0.489998 0.162083 O\n0.510002 0.281770 0.837917 O\n0.938534 0.521931 0.753546 O\n0.478069 0.061466 0.246454 O\n0.878881 0.183344 0.159330 O\n0.816656 0.121119 0.840670 O\n0.749684 0.865800 0.609153 O\n0.134200 0.250316 0.390847 O\n0.394357 0.738803 0.650266 O\n0.261197 0.605643 0.349734 O\n0.737294 0.832648 0.259664 O\n0.167352 0.262706 0.740336 O\n0.149637 0.961557 0.127306 O\n0.038443 0.850363 0.872694 O\n",
"nsites": 24,
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"elements": [
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],
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"volume": 362.45208575383987,
"volume_molar": 9.094739496521727,
"formula_full": "Ag2 Te3 Mo3 O16",
"formula_reduced": "Ag2Te3Mo3O16",
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"updated_at": "2021-11-28T01:38:51.045000Z",
"spacegroup": 5
},
{
"id": "mp-772635",
"created_at": "2022-09-04T14:47:07.710549Z",
"structure_string": "Mn3 Cr2 Co3 O16\n1.0\n5.684546 -0.015463 -0.034088\n-2.855664 4.945843 -0.000151\n-0.054235 -0.031557 8.800629\nMn Cr Co O\n3 2 3 16\ndirect\n0.664202 0.832113 0.212109 Mn\n0.833502 0.664156 0.712218 Mn\n0.833506 0.169361 0.712218 Mn\n0.334916 0.667457 0.487769 Cr\n0.664678 0.332360 0.990246 Cr\n0.167934 0.832309 0.208990 Co\n0.167911 0.335628 0.208972 Co\n0.334085 0.167047 0.707772 Co\n0.170547 0.838915 0.603343 O\n0.045416 0.522712 0.331054 O\n0.328428 0.664232 0.100343 O\n0.006768 0.003397 0.316446 O\n0.003990 0.002018 0.818629 O\n0.170558 0.331640 0.603347 O\n0.474264 0.959008 0.337435 O\n0.474238 0.515265 0.337423 O\n0.330525 0.165270 0.106723 O\n0.662259 0.831124 0.599461 O\n0.515342 0.472724 0.836669 O\n0.515326 0.042629 0.836660 O\n0.665700 0.332839 0.599727 O\n0.837101 0.666364 0.103498 O\n0.961708 0.480882 0.841174 O\n0.837096 0.170753 0.103493 O\n",
"nsites": 24,
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"elements": [
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],
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"density": 4.716183955183491,
"density_atomic": 0.09715509444399642,
"volume": 247.02770490161416,
"volume_molar": 6.198481710571927,
"formula_full": "Mn3 Cr2 Co3 O16",
"formula_reduced": "Mn3Cr2Co3O16",
"formula_anonymous": "A2B3C3D16",
"energy": -182.51779168,
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"energy_above_hull": null,
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"spacegroup": 8
},
{
"id": "mp-772143",
"created_at": "2022-09-04T14:41:24.194703Z",
"structure_string": "V2 Cr3 Sb3 O16\n1.0\n3.059572 5.262329 0.000000\n-3.059572 5.262329 0.000000\n0.000000 0.043056 9.060364\nV Cr Sb O\n2 3 3 16\ndirect\n0.349623 0.349623 0.474583 V\n0.672269 0.672269 0.999952 V\n0.162069 0.663753 0.205315 Cr\n0.663753 0.162069 0.205315 Cr\n0.830049 0.830049 0.709052 Cr\n0.166729 0.166729 0.211660 Sb\n0.333567 0.830185 0.711979 Sb\n0.830185 0.333567 0.711979 Sb\n0.173484 0.663577 0.602266 O\n0.474334 0.474334 0.339989 O\n0.330332 0.330332 0.098776 O\n0.998502 0.998502 0.309360 O\n0.998033 0.998033 0.820656 O\n0.663577 0.173484 0.602266 O\n0.050713 0.476076 0.345232 O\n0.476076 0.050713 0.345232 O\n0.825850 0.825850 0.100804 O\n0.167612 0.167612 0.602048 O\n0.524736 0.946920 0.839972 O\n0.946920 0.524736 0.839972 O\n0.664494 0.664494 0.593587 O\n0.346871 0.829910 0.100444 O\n0.520132 0.520132 0.844781 O\n0.829910 0.346871 0.100444 O\n",
"nsites": 24,
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"elements": [
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"Cr",
"Sb",
"O"
],
"chemical_system": "Cr-O-Sb-V",
"density": 5.003727633909317,
"density_atomic": 0.08226155709783858,
"volume": 291.75231841837575,
"volume_molar": 7.32072303571583,
"formula_full": "V2 Cr3 Sb3 O16",
"formula_reduced": "V2Cr3Sb3O16",
"formula_anonymous": "A2B3C3D16",
"energy": -189.02730128,
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"updated_at": "2021-11-28T01:35:19.783000Z",
"spacegroup": 8
},
{
"id": "mp-755215",
"created_at": "2022-09-04T14:42:01.078584Z",
"structure_string": "Ti2 Mn3 Fe3 O16\n1.0\n2.931718 5.124506 0.000000\n-2.931718 5.124506 0.000000\n0.000000 0.269809 9.030887\nTi Mn Fe O\n2 3 3 16\ndirect\n0.673952 0.673952 0.499808 Ti\n0.337537 0.337537 0.000857 Ti\n0.828498 0.828498 0.213039 Mn\n0.662949 0.168994 0.711823 Mn\n0.168994 0.662949 0.711823 Mn\n0.833654 0.330958 0.209883 Fe\n0.330958 0.833654 0.209883 Fe\n0.165127 0.165127 0.709259 Fe\n0.829572 0.335902 0.599319 O\n0.523797 0.523797 0.339363 O\n0.671800 0.671800 0.100433 O\n0.991495 0.991495 0.313790 O\n0.992806 0.992806 0.814574 O\n0.335902 0.829572 0.599319 O\n0.954475 0.526631 0.339754 O\n0.526631 0.954475 0.339754 O\n0.167165 0.167165 0.098316 O\n0.833109 0.833109 0.603893 O\n0.477454 0.047545 0.836082 O\n0.047545 0.477454 0.836082 O\n0.340092 0.340092 0.600469 O\n0.660170 0.163335 0.097914 O\n0.478035 0.478035 0.832622 O\n0.163335 0.660170 0.097914 O\n",
"nsites": 24,
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],
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"volume": 271.3529849303203,
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"formula_full": "Ti2 Mn3 Fe3 O16",
"formula_reduced": "Ti2Mn3Fe3O16",
"formula_anonymous": "A2B3C3D16",
"energy": -194.98608678,
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{
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"structure_string": "Ti2 Mn3 Te3 O16\n1.0\n3.082812 5.608924 0.000000\n-3.082812 5.608924 0.000000\n0.000000 0.625913 9.319288\nTi Mn Te O\n2 3 3 16\ndirect\n0.678374 0.678374 0.489655 Ti\n0.362654 0.362654 0.035352 Ti\n0.822990 0.822990 0.796815 Mn\n0.175513 0.675652 0.306151 Mn\n0.675652 0.175513 0.306151 Mn\n0.326038 0.824644 0.783186 Te\n0.824644 0.326038 0.783186 Te\n0.176501 0.176501 0.284224 Te\n0.360205 0.850346 0.399351 O\n0.517016 0.517016 0.660911 O\n0.637319 0.637319 0.900949 O\n0.005334 0.005334 0.676070 O\n0.023786 0.023786 0.201747 O\n0.850346 0.360205 0.399351 O\n0.498218 0.939025 0.662419 O\n0.939025 0.498218 0.662419 O\n0.143797 0.143797 0.889212 O\n0.825870 0.825870 0.415169 O\n0.055739 0.464083 0.148072 O\n0.464083 0.055739 0.148072 O\n0.314661 0.314661 0.397504 O\n0.181944 0.663702 0.893713 O\n0.476663 0.476663 0.152176 O\n0.663702 0.181944 0.893713 O\n",
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{
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"structure_string": "Ti2 Mn3 Cr3 O16\n1.0\n2.905044 5.047277 0.000000\n-2.905044 5.047277 0.000000\n0.000000 0.009430 9.020690\nTi Mn Cr O\n2 3 3 16\ndirect\n0.328174 0.328174 0.495035 Ti\n0.665752 0.665752 0.993895 Ti\n0.168441 0.168441 0.212060 Mn\n0.337432 0.828172 0.712779 Mn\n0.828172 0.337432 0.712779 Mn\n0.169745 0.663253 0.208759 Cr\n0.663253 0.169745 0.208759 Cr\n0.831836 0.831836 0.710387 Cr\n0.162343 0.662270 0.602652 O\n0.475214 0.475214 0.334248 O\n0.329507 0.329507 0.101396 O\n0.001336 0.001336 0.313923 O\n0.001586 0.001586 0.816225 O\n0.662270 0.162343 0.602652 O\n0.044529 0.474754 0.334447 O\n0.474754 0.044529 0.334447 O\n0.829629 0.829629 0.103506 O\n0.165983 0.165983 0.600200 O\n0.521534 0.952989 0.833822 O\n0.952989 0.521534 0.833822 O\n0.661123 0.661123 0.601939 O\n0.334249 0.825902 0.101522 O\n0.519371 0.519371 0.835561 O\n0.825902 0.334249 0.101522 O\n",
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"formula_full": "Ti2 Mn3 Cr3 O16",
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{
"id": "mp-770898",
"created_at": "2022-09-04T14:41:16.613109Z",
"structure_string": "Ti3 Nb2 V3 O16\n1.0\n5.992611 0.000000 0.000000\n-2.942432 5.237397 0.000000\n-0.027452 -0.049934 9.419089\nTi Nb V O\n3 2 3 16\ndirect\n0.175560 0.343799 0.780692 Ti\n0.174873 0.831351 0.780939 Ti\n0.344561 0.174646 0.277604 Ti\n0.341004 0.669773 0.500637 Nb\n0.673049 0.340300 0.000867 Nb\n0.662281 0.832183 0.791072 V\n0.830730 0.173845 0.285543 V\n0.837792 0.664927 0.290700 V\n0.173732 0.345839 0.401185 O\n0.041618 0.522299 0.665775 O\n0.317881 0.658830 0.894624 O\n0.005695 0.003947 0.697103 O\n0.000634 0.015312 0.197604 O\n0.174743 0.831001 0.399180 O\n0.467485 0.514307 0.663570 O\n0.465703 0.950647 0.662992 O\n0.343180 0.171095 0.901258 O\n0.661617 0.828447 0.402056 O\n0.520969 0.043231 0.165639 O\n0.514796 0.469596 0.165274 O\n0.663072 0.313285 0.394147 O\n0.829192 0.173678 0.900433 O\n0.949037 0.468989 0.163781 O\n0.830794 0.658470 0.901607 O\n",
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],
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"formula_full": "Ti3 Nb2 V3 O16",
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]
}