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{
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"results": [
{
"id": "mp-755888",
"created_at": "2022-09-04T14:48:28.922653Z",
"structure_string": "Mn2 Co3 Te3 O16\n1.0\n5.977914 -0.035237 -0.002726\n-3.019702 5.211176 -0.013863\n-0.007346 -0.028279 9.300475\nMn Co Te O\n2 3 3 16\ndirect\n0.351464 0.675834 0.511089 Mn\n0.696797 0.347396 0.974836 Mn\n0.670401 0.834838 0.208488 Co\n0.816360 0.657250 0.713162 Co\n0.816272 0.158530 0.712898 Co\n0.174148 0.834908 0.213717 Te\n0.174021 0.338092 0.213719 Te\n0.318530 0.161516 0.713467 Te\n0.151242 0.835504 0.607201 O\n0.038755 0.519416 0.340653 O\n0.312559 0.655470 0.091164 O\n0.022423 0.010348 0.324961 O\n0.983029 0.992119 0.817184 O\n0.148933 0.314424 0.606254 O\n0.476028 0.967672 0.329003 O\n0.475921 0.508892 0.329103 O\n0.336388 0.167233 0.096890 O\n0.685344 0.842609 0.604290 O\n0.511307 0.481751 0.830969 O\n0.515188 0.036855 0.833712 O\n0.656618 0.327675 0.607272 O\n0.860585 0.681416 0.104337 O\n0.945807 0.474348 0.826022 O\n0.861880 0.176105 0.105326 O\n",
"nsites": 24,
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"elements": [
"Mn",
"Co",
"Te",
"O"
],
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"density": 5.322418944889024,
"density_atomic": 0.08312098808606636,
"volume": 288.7357399451215,
"volume_molar": 7.245030284967818,
"formula_full": "Mn2 Co3 Te3 O16",
"formula_reduced": "Mn2Co3Te3O16",
"formula_anonymous": "A2B3C3D16",
"energy": -161.68663991,
"energy_per_atom": -6.736943329583333,
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"band_gap": 0.0343999999999997,
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"updated_at": "2021-11-28T01:39:47.331000Z",
"spacegroup": 8
},
{
"id": "mp-770891",
"created_at": "2022-09-04T14:48:28.497046Z",
"structure_string": "Ti3 Cr3 Sb2 O16\n1.0\n-5.959030 0.000000 0.000000\n2.976927 5.195730 0.000000\n-0.010876 -0.037107 -9.334162\nTi Cr Sb O\n3 3 2 16\ndirect\n0.334867 0.168078 0.788385 Ti\n0.830091 0.665020 0.787563 Ti\n0.158753 0.824817 0.299956 Ti\n0.827871 0.171176 0.790501 Cr\n0.170686 0.340646 0.289642 Cr\n0.660693 0.839303 0.279316 Cr\n0.667484 0.325902 0.509772 Sb\n0.334008 0.662670 0.010963 Sb\n0.339625 0.162565 0.396833 O\n0.520807 0.475501 0.658583 O\n0.659010 0.342150 0.896206 O\n0.001439 0.996419 0.695325 O\n0.991916 0.994302 0.198267 O\n0.829787 0.655911 0.396985 O\n0.516843 0.043798 0.660724 O\n0.954496 0.480522 0.659720 O\n0.174247 0.826434 0.893762 O\n0.832299 0.164421 0.398998 O\n0.048048 0.532775 0.161184 O\n0.482818 0.957128 0.160812 O\n0.345379 0.680688 0.393572 O\n0.173621 0.337089 0.898556 O\n0.484317 0.527605 0.161344 O\n0.660695 0.824880 0.897309 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ti",
"Cr",
"Sb",
"O"
],
"chemical_system": "Cr-O-Sb-Ti",
"density": 4.591478813079939,
"density_atomic": 0.08304505198081458,
"volume": 288.9997588964672,
"volume_molar": 7.251655115335782,
"formula_full": "Ti3 Cr3 Sb2 O16",
"formula_reduced": "Ti3Cr3(SbO8)2",
"formula_anonymous": "A2B3C3D16",
"energy": -200.7637475,
"energy_per_atom": -8.365156145833334,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -183.7747475,
"band_gap": 0.7077999999999998,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:39:49.432000Z",
"spacegroup": 1
},
{
"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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"energy_uncorrected": -163.33903932,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.669000Z",
"spacegroup": 8
},
{
"id": "mp-756438",
"created_at": "2022-09-04T14:46:17.256339Z",
"structure_string": "Mn3 Ni3 Te2 O16\n1.0\n5.881179 0.039924 -0.086128\n-2.906015 5.033234 0.000022\n-0.138191 -0.079735 9.189316\nMn Ni Te O\n3 3 2 16\ndirect\n0.171663 0.833995 0.211311 Mn\n0.171672 0.337684 0.211306 Mn\n0.337077 0.168538 0.713312 Mn\n0.662043 0.831044 0.210787 Ni\n0.832484 0.663802 0.710223 Ni\n0.832492 0.168702 0.710230 Ni\n0.342997 0.671503 0.490228 Te\n0.672776 0.336399 0.984865 Te\n0.178744 0.833818 0.596194 O\n0.039864 0.519925 0.336631 O\n0.313945 0.656988 0.107826 O\n0.015815 0.007913 0.305143 O\n0.008483 0.004247 0.802721 O\n0.178743 0.344929 0.596196 O\n0.467403 0.961693 0.346375 O\n0.467421 0.505753 0.346370 O\n0.342150 0.171080 0.101745 O\n0.675376 0.837701 0.592047 O\n0.501123 0.469051 0.846730 O\n0.501141 0.032085 0.846730 O\n0.657318 0.328666 0.614141 O\n0.835396 0.663193 0.095205 O\n0.958469 0.479260 0.844203 O\n0.835403 0.172231 0.095201 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Mn",
"Ni",
"Te",
"O"
],
"chemical_system": "Mn-Ni-O-Te",
"density": 5.1828106060719055,
"density_atomic": 0.0879112991399063,
"volume": 273.0024494553907,
"volume_molar": 6.850246576854785,
"formula_full": "Mn3 Ni3 Te2 O16",
"formula_reduced": "Mn3Ni3(TeO8)2",
"formula_anonymous": "A2B3C3D16",
"energy": -164.29671511,
"energy_per_atom": -6.845696462916667,
"energy_above_hull": null,
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"energy_uncorrected": -140.67771511,
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"updated_at": "2021-11-28T01:37:34.026000Z",
"spacegroup": 8
},
{
"id": "mp-863857",
"created_at": "2022-09-04T14:46:54.739732Z",
"structure_string": "Mn3 Co3 Sb2 O16\n1.0\n-5.830813 0.000000 0.000000\n2.882145 5.083803 0.000000\n-0.017371 -0.088398 -9.274670\nMn Co Sb O\n3 3 2 16\ndirect\n0.337194 0.171277 0.212531 Mn\n0.170050 0.337485 0.714072 Mn\n0.170905 0.832082 0.713372 Mn\n0.833195 0.176218 0.215492 Co\n0.829028 0.669566 0.206904 Co\n0.667153 0.833920 0.709299 Co\n0.671935 0.334016 0.489668 Sb\n0.337122 0.671395 0.991991 Sb\n0.838002 0.166631 0.601539 O\n0.963865 0.466615 0.336298 O\n0.663047 0.316303 0.108746 O\n0.000383 0.016874 0.307131 O\n0.011803 0.007124 0.810602 O\n0.840449 0.671090 0.598016 O\n0.521542 0.037057 0.333574 O\n0.513688 0.471885 0.340329 O\n0.675825 0.845001 0.099407 O\n0.330520 0.162209 0.601464 O\n0.471138 0.509796 0.840932 O\n0.469569 0.960355 0.839576 O\n0.316639 0.655551 0.606494 O\n0.164185 0.329389 0.100789 O\n0.035835 0.519989 0.835394 O\n0.166928 0.837973 0.102097 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Mn",
"Co",
"Sb",
"O"
],
"chemical_system": "Co-Mn-O-Sb",
"density": 5.080341329590033,
"density_atomic": 0.08729612159368694,
"volume": 274.9263032750315,
"volume_molar": 6.89852040395287,
"formula_full": "Mn3 Co3 Sb2 O16",
"formula_reduced": "Mn3Co3(SbO8)2",
"formula_anonymous": "A2B3C3D16",
"energy": -173.64533176999998,
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"energy_above_hull": null,
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"energy_uncorrected": -152.73533177,
"band_gap": 0.2557,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:49.786000Z",
"spacegroup": 1
},
{
"id": "mp-850530",
"created_at": "2022-09-04T14:46:54.337523Z",
"structure_string": "Co3 Ni3 Te2 O16\n1.0\n2.860612 5.085364 0.000000\n-2.860612 5.085364 0.000000\n0.000000 0.470683 9.121370\nCo Ni Te O\n3 3 2 16\ndirect\n0.343334 0.835974 0.784883 Co\n0.835974 0.343334 0.784883 Co\n0.170608 0.170608 0.281701 Co\n0.833454 0.833454 0.790530 Ni\n0.168196 0.665710 0.288733 Ni\n0.665710 0.168196 0.288733 Ni\n0.668356 0.668356 0.508758 Te\n0.333825 0.333825 0.008748 Te\n0.338041 0.838520 0.405221 O\n0.519220 0.519220 0.666563 O\n0.649868 0.649868 0.890714 O\n0.015229 0.015229 0.697735 O\n0.009897 0.009897 0.197951 O\n0.838520 0.338041 0.405221 O\n0.500052 0.965414 0.654627 O\n0.965414 0.500052 0.654627 O\n0.166898 0.166898 0.899752 O\n0.841166 0.841166 0.410138 O\n0.026826 0.467963 0.153872 O\n0.467963 0.026826 0.153872 O\n0.324677 0.324677 0.381325 O\n0.168815 0.675496 0.908587 O\n0.478062 0.478062 0.158280 O\n0.675496 0.168815 0.908587 O\n",
"nsites": 24,
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"elements": [
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],
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"volume": 265.3817593516831,
"volume_molar": 6.659026291467842,
"formula_full": "Co3 Ni3 Te2 O16",
"formula_reduced": "Co3Ni3(TeO8)2",
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"energy": -151.30840743000002,
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"updated_at": "2021-11-28T01:37:43.068000Z",
"spacegroup": 8
},
{
"id": "mp-776079",
"created_at": "2022-09-04T14:46:56.623291Z",
"structure_string": "Ti2 Cr3 Sb3 O16\n1.0\n3.055576 5.274775 0.000000\n-3.055576 5.274775 0.000000\n0.000000 0.068535 9.105951\nTi Cr Sb O\n2 3 3 16\ndirect\n0.649647 0.649647 0.523591 Ti\n0.322343 0.322343 0.994273 Ti\n0.336743 0.832617 0.790953 Cr\n0.832617 0.336743 0.790953 Cr\n0.171494 0.171494 0.289979 Cr\n0.832992 0.832992 0.789335 Sb\n0.667028 0.170896 0.287634 Sb\n0.170896 0.667028 0.287634 Sb\n0.336592 0.828282 0.399700 O\n0.522701 0.522701 0.661047 O\n0.668542 0.668542 0.898804 O\n0.999749 0.999749 0.689112 O\n0.003564 0.003564 0.179891 O\n0.828282 0.336592 0.399700 O\n0.525642 0.948777 0.655728 O\n0.948777 0.525642 0.655728 O\n0.172223 0.172223 0.900044 O\n0.835659 0.835659 0.398400 O\n0.052657 0.478756 0.161427 O\n0.478756 0.052657 0.161427 O\n0.335752 0.335752 0.405910 O\n0.168367 0.655267 0.901718 O\n0.483523 0.483523 0.159553 O\n0.655267 0.168367 0.901718 O\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "Cr-O-Sb-Ti",
"density": 4.938640067716355,
"density_atomic": 0.08176339342413765,
"volume": 293.529891494387,
"volume_molar": 7.365326349361356,
"formula_full": "Ti2 Cr3 Sb3 O16",
"formula_reduced": "Ti2Cr3Sb3O16",
"formula_anonymous": "A2B3C3D16",
"energy": -192.74521475,
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"updated_at": "2021-11-28T01:37:50.690000Z",
"spacegroup": 8
},
{
"id": "mp-755599",
"created_at": "2022-09-04T14:47:07.950713Z",
"structure_string": "Cr3 Sn3 Sb2 O16\n1.0\n3.083342 5.353893 0.000000\n-3.083342 5.353893 0.000000\n0.000000 0.154584 9.354953\nCr Sn Sb O\n3 3 2 16\ndirect\n0.827712 0.827712 0.213138 Cr\n0.168776 0.658381 0.715989 Cr\n0.658381 0.168776 0.715989 Cr\n0.335201 0.829312 0.211635 Sn\n0.829312 0.335201 0.211635 Sn\n0.167695 0.167695 0.703449 Sn\n0.672853 0.672853 0.494760 Sb\n0.338519 0.338519 0.988018 Sb\n0.343545 0.823962 0.600341 O\n0.522761 0.522761 0.353336 O\n0.671884 0.671884 0.099995 O\n0.992761 0.992761 0.308776 O\n0.988581 0.988581 0.793553 O\n0.823962 0.343545 0.600341 O\n0.532149 0.955686 0.342197 O\n0.955686 0.532149 0.342197 O\n0.172301 0.172301 0.094588 O\n0.830635 0.830635 0.606677 O\n0.049342 0.487508 0.842417 O\n0.487508 0.049342 0.842417 O\n0.344289 0.344289 0.606705 O\n0.166695 0.657851 0.100153 O\n0.476970 0.476970 0.834131 O\n0.657851 0.166695 0.100153 O\n",
"nsites": 24,
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"elements": [
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"Sn",
"Sb",
"O"
],
"chemical_system": "Cr-O-Sb-Sn",
"density": 5.438852081293655,
"density_atomic": 0.07770487211607564,
"volume": 308.86094200308014,
"volume_molar": 7.7500169500364375,
"formula_full": "Cr3 Sn3 Sb2 O16",
"formula_reduced": "Cr3Sn3(SbO8)2",
"formula_anonymous": "A2B3C3D16",
"energy": -175.94457417,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:55.026000Z",
"spacegroup": 8
},
{
"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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"O"
],
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"density": 4.716183955183491,
"density_atomic": 0.09715509444399642,
"volume": 247.02770490161416,
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"formula_full": "Mn3 Cr2 Co3 O16",
"formula_reduced": "Mn3Cr2Co3O16",
"formula_anonymous": "A2B3C3D16",
"energy": -182.51779168,
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{
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{
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"structure_string": "Mn3 Co2 Te3 O16\n1.0\n3.037592 5.352929 0.000000\n-3.037592 5.352929 0.000000\n0.000000 0.122234 9.199691\nMn Co Te O\n3 2 3 16\ndirect\n0.832326 0.832326 0.786541 Mn\n0.164770 0.664724 0.289410 Mn\n0.664724 0.164770 0.289410 Mn\n0.675331 0.675331 0.484993 Co\n0.346269 0.346269 0.017996 Co\n0.334861 0.831459 0.787353 Te\n0.831459 0.334861 0.787353 Te\n0.166624 0.166624 0.286965 Te\n0.322752 0.845523 0.396077 O\n0.518129 0.518129 0.664017 O\n0.646682 0.646682 0.912658 O\n0.016410 0.016410 0.670903 O\n0.006477 0.006477 0.180728 O\n0.845523 0.322752 0.396077 O\n0.508387 0.956998 0.674371 O\n0.956998 0.508387 0.674371 O\n0.159562 0.159562 0.900564 O\n0.843505 0.843505 0.391975 O\n0.040407 0.478889 0.165455 O\n0.478889 0.040407 0.165455 O\n0.323989 0.323989 0.402316 O\n0.170600 0.681845 0.890704 O\n0.474194 0.474194 0.178411 O\n0.681845 0.170600 0.890704 O\n",
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"formula_full": "Mn3 Co2 Te3 O16",
"formula_reduced": "Mn3Co2Te3O16",
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{
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"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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}