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{
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"results": [
{
"id": "mp-758128",
"created_at": "2022-09-04T14:40:01.609432Z",
"structure_string": "Na4 Co4 H8 C12 O28\n1.0\n15.795507 0.000000 0.000000\n0.000000 5.923453 0.000000\n0.000000 1.231114 6.957675\nNa Co H C O\n4 4 8 12 28\ndirect\n0.316709 0.967266 0.692406 Na\n0.183291 0.967266 0.192406 Na\n0.816709 0.032734 0.807594 Na\n0.683291 0.032734 0.307594 Na\n0.100461 0.772050 0.782904 Co\n0.399539 0.772050 0.282904 Co\n0.600461 0.227950 0.717096 Co\n0.899539 0.227950 0.217096 Co\n0.471670 0.675040 0.637787 H\n0.380849 0.547925 0.641297 H\n0.028330 0.675040 0.137787 H\n0.880849 0.452075 0.858703 H\n0.119151 0.547925 0.141297 H\n0.971670 0.324960 0.862213 H\n0.619151 0.452075 0.358703 H\n0.528330 0.324960 0.362213 H\n0.963945 0.994666 0.574166 C\n0.536055 0.994666 0.074166 C\n0.649256 0.702408 0.714449 C\n0.850744 0.702408 0.214449 C\n0.731150 0.554545 0.746680 C\n0.768850 0.554545 0.246680 C\n0.231150 0.445455 0.753320 C\n0.268850 0.445455 0.253320 C\n0.149256 0.297592 0.785551 C\n0.350744 0.297592 0.285551 C\n0.463945 0.005334 0.925834 C\n0.036055 0.005334 0.425834 C\n0.396097 0.900300 0.982534 O\n0.659442 0.917613 0.675340 O\n0.976829 0.882877 0.741729 O\n0.103903 0.900300 0.482534 O\n0.840558 0.917613 0.175340 O\n0.523171 0.882877 0.241729 O\n0.222611 0.656366 0.765777 O\n0.799275 0.648108 0.785081 O\n0.413111 0.689492 0.586237 O\n0.579719 0.592254 0.729349 O\n0.277389 0.656366 0.265777 O\n0.700725 0.648108 0.285081 O\n0.086889 0.689492 0.086237 O\n0.920281 0.592254 0.229349 O\n0.079719 0.407746 0.770651 O\n0.913111 0.310508 0.913763 O\n0.299275 0.351892 0.714919 O\n0.722611 0.343634 0.734223 O\n0.420281 0.407746 0.270651 O\n0.586889 0.310508 0.413763 O\n0.200725 0.351892 0.214919 O\n0.777389 0.343634 0.234223 O\n0.476829 0.117123 0.758271 O\n0.159442 0.082387 0.824660 O\n0.896097 0.099700 0.517466 O\n0.023171 0.117123 0.258271 O\n0.340558 0.082387 0.324660 O\n0.603903 0.099700 0.017466 O\n",
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"volume": 650.9875093784381,
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"formula_full": "Na4 Co4 H8 C12 O28",
"formula_reduced": "NaCoH2C3O7",
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"updated_at": "2021-11-28T01:34:44.421000Z",
"spacegroup": 14
},
{
"id": "mp-1221360",
"created_at": "2022-09-04T14:40:02.378672Z",
"structure_string": "Na2 Nb2 W2 O13\n1.0\n-3.726349 3.734726 5.232851\n3.726349 -3.734726 5.232851\n3.726349 3.734726 -5.232851\nNa Nb W O\n2 2 2 13\ndirect\n0.127719 0.373940 0.753778 Na\n0.620162 0.373940 0.246222 Na\n0.125098 0.377351 0.252252 Nb\n0.125098 0.872846 0.747748 Nb\n0.623497 0.873795 0.749702 W\n0.124093 0.873795 0.250298 W\n0.438987 0.937045 0.873598 O\n0.438987 0.565389 0.501943 O\n0.428242 0.928242 0.500000 O\n0.063446 0.565389 0.126402 O\n0.063446 0.937044 0.498057 O\n0.051489 0.551489 0.500000 O\n0.806507 0.809803 0.629249 O\n0.806507 0.177258 0.996703 O\n0.811474 0.811474 0.000000 O\n0.180555 0.177258 0.370751 O\n0.180555 0.809803 0.003297 O\n0.190729 0.190729 0.000000 O\n0.543409 0.543409 0.000000 O\n",
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"volume": 291.30009924524137,
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"formula_full": "Na2 Nb2 W2 O13",
"formula_reduced": "Na2Nb2W2O13",
"formula_anonymous": "A2B2C2D13",
"energy": -156.76713931,
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"spacegroup": 44
},
{
"id": "mp-782820",
"created_at": "2022-09-04T14:40:02.383889Z",
"structure_string": "Li10 Mn12 B12 O36\n1.0\n8.834752 0.000000 0.000000\n-2.808906 8.422696 0.000000\n-1.581158 -2.100671 10.097793\nLi Mn B O\n10 12 12 36\ndirect\n0.810299 0.097670 0.795391 Li\n0.466023 0.488765 0.768872 Li\n0.224157 0.234811 0.519987 Li\n0.832246 0.541289 0.554437 Li\n0.561639 0.839532 0.544667 Li\n0.591253 0.292068 0.309156 Li\n0.973747 0.985366 0.272807 Li\n0.343527 0.048357 0.065301 Li\n0.066881 0.348455 0.044811 Li\n0.718299 0.741701 0.020634 Li\n0.185692 0.164339 0.824862 Mn\n0.837756 0.484546 0.841084 Mn\n0.471254 0.851236 0.837639 Mn\n0.587067 0.224039 0.595818 Mn\n0.216256 0.601358 0.588552 Mn\n0.935707 0.923437 0.574275 Mn\n0.340088 0.952357 0.350403 Mn\n0.992507 0.350344 0.332165 Mn\n0.681738 0.679307 0.315771 Mn\n0.089499 0.729450 0.087082 Mn\n0.727490 0.106772 0.085469 Mn\n0.435277 0.429584 0.070857 Mn\n0.540432 0.210308 0.873127 B\n0.209417 0.532066 0.867557 B\n0.738493 0.749889 0.747663 B\n0.965535 0.293310 0.627259 B\n0.287168 0.949714 0.615922 B\n0.500020 0.500193 0.502179 B\n0.047926 0.711813 0.384574 B\n0.710340 0.042040 0.371911 B\n0.250304 0.232837 0.251151 B\n0.794887 0.465897 0.125321 B\n0.460753 0.801541 0.126138 B\n0.996639 0.007561 0.007415 B\n0.999672 0.126069 0.931533 O\n0.422357 0.200191 0.948353 O\n0.090519 0.532638 0.939672 O\n0.295843 0.428553 0.881384 O\n0.626799 0.103537 0.876911 O\n0.573886 0.324635 0.793315 O\n0.248983 0.639177 0.781810 O\n0.626799 0.717710 0.830809 O\n0.052798 0.190013 0.631506 O\n0.836856 0.277978 0.691330 O\n0.173876 0.954625 0.688870 O\n0.827425 0.650466 0.725636 O\n0.328086 0.058919 0.530281 O\n0.755654 0.882342 0.685132 O\n0.367733 0.836501 0.621930 O\n0.376477 0.464059 0.574947 O\n0.003348 0.417581 0.554258 O\n0.577687 0.016741 0.436812 O\n0.595827 0.401114 0.488612 O\n0.139324 0.610942 0.402651 O\n0.532393 0.633828 0.445915 O\n0.134251 0.204443 0.330943 O\n0.915407 0.698483 0.442201 O\n0.095117 0.829100 0.307716 O\n0.745377 0.165884 0.302847 O\n0.359932 0.148114 0.254673 O\n0.802123 0.942655 0.382246 O\n0.252926 0.341118 0.168862 O\n0.668939 0.451709 0.193449 O\n0.339553 0.796392 0.198867 O\n0.543825 0.693905 0.130051 O\n0.885348 0.362839 0.134354 O\n0.111292 0.933180 0.010337 O\n0.831755 0.582534 0.047631 O\n0.491151 0.915592 0.047181 O\n0.876254 0.966720 0.082637 O\n",
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"elements": [
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],
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"density": 3.169862612273143,
"density_atomic": 0.09315927229907174,
"volume": 751.4013181133178,
"volume_molar": 6.4643492927541955,
"formula_full": "Li10 Mn12 B12 O36",
"formula_reduced": "Li5Mn6(BO3)6",
"formula_anonymous": "A5B6C6D18",
"energy": -560.54727145,
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"updated_at": "2021-11-28T01:34:43.996000Z",
"spacegroup": 1
},
{
"id": "mp-1190589",
"created_at": "2022-09-04T14:40:02.282242Z",
"structure_string": "Tm2 Mn12 P7\n1.0\n4.627974 -8.015886 0.000000\n4.627974 8.015886 0.000000\n0.000000 0.000000 3.581408\nTm Mn P\n2 12 7\ndirect\n0.000000 0.000000 0.000000 Tm\n0.666667 0.333333 0.500000 Tm\n0.710241 0.617751 0.000000 Mn\n0.382249 0.092490 0.000000 Mn\n0.907510 0.289759 0.000000 Mn\n0.213719 0.390051 0.000000 Mn\n0.609949 0.823668 0.000000 Mn\n0.176332 0.786281 0.000000 Mn\n0.288894 0.230005 0.500000 Mn\n0.769995 0.058888 0.500000 Mn\n0.941112 0.711106 0.500000 Mn\n0.458485 0.563768 0.500000 Mn\n0.436232 0.894718 0.500000 Mn\n0.105282 0.541515 0.500000 Mn\n0.454961 0.376218 0.000000 P\n0.623782 0.078743 0.000000 P\n0.921257 0.545039 0.000000 P\n0.052146 0.257336 0.500000 P\n0.742664 0.794811 0.500000 P\n0.205189 0.947854 0.500000 P\n0.333333 0.666667 0.000000 P\n",
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"elements": [
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"Mn",
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"formula_full": "Tm2 Mn12 P7",
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"energy": -171.8583068,
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"updated_at": "2021-11-28T01:34:45.030000Z",
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{
"id": "mp-1048015",
"created_at": "2022-09-04T14:40:02.285786Z",
"structure_string": "Ca2 Fe8 O18\n1.0\n8.363575 0.000000 0.000000\n0.000000 8.363575 0.000000\n0.000000 0.000000 5.437640\nCa Fe O\n2 8 18\ndirect\n0.500000 0.000000 0.832457 Ca\n0.000000 0.500000 0.167543 Ca\n0.214490 0.908371 0.376404 Fe\n0.908371 0.785510 0.623596 Fe\n0.408371 0.285510 0.376404 Fe\n0.714490 0.408371 0.623596 Fe\n0.785510 0.091629 0.376404 Fe\n0.591629 0.714490 0.376404 Fe\n0.285510 0.591629 0.623596 Fe\n0.091629 0.214490 0.623596 Fe\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.076054 0.269512 0.943577 O\n0.230488 0.576054 0.943577 O\n0.769512 0.423946 0.943577 O\n0.923946 0.730488 0.943577 O\n0.423946 0.230488 0.056423 O\n0.269512 0.923946 0.056423 O\n0.730488 0.076054 0.056423 O\n0.576054 0.769512 0.056423 O\n0.706202 0.895469 0.535409 O\n0.604531 0.206202 0.535409 O\n0.395469 0.793798 0.535409 O\n0.293798 0.104531 0.535409 O\n0.206202 0.395469 0.464591 O\n0.895469 0.293798 0.464591 O\n0.104531 0.706202 0.464591 O\n0.793798 0.604531 0.464591 O\n",
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"volume": 380.35958353379783,
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"formula_full": "Ca2 Fe8 O18",
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"spacegroup": 85
},
{
"id": "mp-956096",
"created_at": "2022-09-04T14:40:02.317184Z",
"structure_string": "Hf4 Fe8\n1.0\n-2.472991 -4.283346 0.000000\n-2.472991 4.283346 0.000000\n0.000000 0.000000 -8.041362\nHf Fe\n4 8\ndirect\n0.666667 0.333334 0.937454 Hf\n0.333333 0.666666 0.062546 Hf\n0.333333 0.666666 0.437454 Hf\n0.666667 0.333334 0.562546 Hf\n0.168482 0.831518 0.750000 Fe\n0.831518 0.168482 0.250000 Fe\n0.663036 0.831518 0.750000 Fe\n0.336964 0.168482 0.250000 Fe\n0.168482 0.336964 0.750000 Fe\n0.831518 0.663036 0.250000 Fe\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n",
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"formula_full": "Hf4 Fe8",
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{
"id": "mp-1226306",
"created_at": "2022-09-04T14:40:02.293902Z",
"structure_string": "Cr4 Bi4 Te4 O24\n1.0\n-2.625219 -4.547709 0.000123\n-7.876863 4.548406 -0.000369\n-0.000236 0.000409 -10.041898\nCr Bi Te O\n4 4 4 24\ndirect\n0.500042 0.833347 0.750000 Cr\n0.499958 0.166653 0.250000 Cr\n0.000042 0.333347 0.750000 Cr\n0.999958 0.666653 0.250000 Cr\n0.000000 0.000000 0.500000 Bi\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.000000 Bi\n0.500097 0.166699 0.750000 Te\n0.000097 0.666699 0.750000 Te\n0.999903 0.333301 0.250000 Te\n0.499903 0.833301 0.250000 Te\n0.631455 0.004419 0.641717 O\n0.131455 0.504419 0.641717 O\n0.677736 0.313519 0.641739 O\n0.177736 0.813519 0.641739 O\n0.190927 0.182103 0.641734 O\n0.690927 0.682103 0.641734 O\n0.177645 0.186482 0.141717 O\n0.677645 0.686482 0.141717 O\n0.131382 0.495588 0.141734 O\n0.631382 0.995588 0.141734 O\n0.690854 0.317891 0.141739 O\n0.190854 0.817891 0.141739 O\n0.868545 0.495581 0.358283 O\n0.368545 0.995581 0.358283 O\n0.822264 0.186481 0.358261 O\n0.322264 0.686481 0.358261 O\n0.309073 0.317897 0.358266 O\n0.809073 0.817897 0.358266 O\n0.322355 0.313518 0.858283 O\n0.822355 0.813518 0.858283 O\n0.368618 0.004412 0.858266 O\n0.868618 0.504412 0.858266 O\n0.809146 0.182109 0.858261 O\n0.309146 0.682109 0.858261 O\n",
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"density": 6.710698019477062,
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"volume": 479.62356746212726,
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"formula_full": "Cr4 Bi4 Te4 O24",
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"spacegroup": 163
},
{
"id": "mp-767706",
"created_at": "2022-09-04T14:40:02.761874Z",
"structure_string": "Li2 V4 F14\n1.0\n-5.433645 0.000000 0.000000\n-0.471262 -6.910061 0.000000\n1.937501 2.701538 7.850453\nLi V F\n2 4 14\ndirect\n0.129891 0.022305 0.743384 Li\n0.870109 0.977695 0.256616 Li\n0.706567 0.718257 0.820743 V\n0.182440 0.485108 0.674692 V\n0.817560 0.514892 0.325308 V\n0.293433 0.281743 0.179257 V\n0.333645 0.180126 0.955991 F\n0.065144 0.613148 0.882205 F\n0.544627 0.447433 0.763453 F\n0.083839 0.212610 0.620564 F\n0.331342 0.763307 0.712082 F\n0.832518 0.947226 0.792489 F\n0.807639 0.561561 0.574080 F\n0.192361 0.438439 0.425920 F\n0.167482 0.052774 0.207511 F\n0.668658 0.236693 0.287918 F\n0.916161 0.787390 0.379436 F\n0.455373 0.552567 0.236547 F\n0.934856 0.386852 0.117795 F\n0.666355 0.819874 0.044009 F\n",
"nsites": 20,
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"elements": [
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"F"
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"volume": 294.7595331671445,
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"formula_full": "Li2 V4 F14",
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