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{
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"results": [
{
"id": "mp-1041061",
"created_at": "2022-09-04T14:46:11.719487Z",
"structure_string": "Ca6 Mn12 O24\n1.0\n2.999548 5.839285 0.000000\n-2.999548 5.839285 0.000000\n0.000000 1.972665 15.423482\nCa Mn O\n6 12 24\ndirect\n0.171095 0.171095 0.953629 Ca\n0.502141 0.502141 0.620691 Ca\n0.497530 0.497530 0.000449 Ca\n0.835853 0.835853 0.283421 Ca\n0.166662 0.166662 0.714987 Ca\n0.496427 0.496427 0.375738 Ca\n0.170725 0.674387 0.833244 Mn\n0.669003 0.669003 0.824573 Mn\n0.499257 0.998432 0.499811 Mn\n0.674387 0.170725 0.833244 Mn\n0.837611 0.837611 0.664424 Mn\n0.997729 0.997729 0.499488 Mn\n0.834860 0.331295 0.168414 Mn\n0.998432 0.499257 0.499811 Mn\n0.331295 0.834860 0.168414 Mn\n0.162004 0.162004 0.336960 Mn\n0.325198 0.325198 0.172948 Mn\n0.829999 0.829999 0.048796 Mn\n0.357802 0.357802 0.904018 O\n0.495310 0.495310 0.761946 O\n0.352874 0.814274 0.890636 O\n0.814274 0.352874 0.890636 O\n0.556812 0.982185 0.753112 O\n0.690801 0.690801 0.576794 O\n0.982185 0.556812 0.753112 O\n0.848674 0.848674 0.910126 O\n0.694876 0.120639 0.576638 O\n0.824208 0.824208 0.430453 O\n0.976229 0.976229 0.756164 O\n0.120639 0.694876 0.576638 O\n0.874379 0.302649 0.424432 O\n0.025320 0.025320 0.245957 O\n0.302649 0.874379 0.424432 O\n0.174111 0.174111 0.569616 O\n0.156231 0.156231 0.099683 O\n0.021639 0.445188 0.250986 O\n0.308178 0.308178 0.424144 O\n0.445188 0.021639 0.250986 O\n0.168374 0.645464 0.103372 O\n0.506027 0.506027 0.233011 O\n0.645464 0.168374 0.103372 O\n0.651298 0.651298 0.091711 O\n",
"nsites": 42,
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"elements": [
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"Mn",
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"density": 3.9453737790156596,
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"volume": 540.2912263974102,
"volume_molar": 7.746928135138648,
"formula_full": "Ca6 Mn12 O24",
"formula_reduced": "CaMn2O4",
"formula_anonymous": "AB2C4",
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"updated_at": "2021-11-28T01:37:19.254000Z",
"spacegroup": 8
},
{
"id": "mp-626631",
"created_at": "2022-09-04T14:48:26.031758Z",
"structure_string": "Al8 H24 O24\n1.0\n9.459352 0.000000 0.000000\n0.000000 5.235569 0.000000\n0.000000 0.339420 8.672722\nAl H O\n8 24 24\ndirect\n0.515734 0.014718 0.963493 Al\n0.507044 0.523279 0.443935 Al\n0.007044 0.476721 0.556065 Al\n0.015734 0.985282 0.036507 Al\n0.510608 0.009218 0.605457 Al\n0.491810 0.505624 0.099886 Al\n0.991810 0.494376 0.900114 Al\n0.010608 0.990782 0.394543 Al\n0.192560 0.635301 0.349516 H\n0.362893 0.811921 0.249058 H\n0.605140 0.710949 0.797372 H\n0.105140 0.289051 0.202628 H\n0.692560 0.364699 0.650484 H\n0.862893 0.188079 0.750942 H\n0.679918 0.292960 0.251215 H\n0.284638 0.139704 0.821569 H\n0.395364 0.363243 0.760243 H\n0.895364 0.636757 0.239757 H\n0.784638 0.860296 0.178431 H\n0.179918 0.707040 0.748785 H\n0.717239 0.808425 0.479733 H\n0.217239 0.191575 0.520267 H\n0.296214 0.179359 0.080689 H\n0.796214 0.820641 0.919311 H\n0.383237 0.155275 0.356032 H\n0.715742 0.317402 0.983926 H\n0.215742 0.682598 0.016074 H\n0.883237 0.844725 0.643968 H\n0.606487 0.888208 0.225204 H\n0.299813 0.718285 0.564472 H\n0.799813 0.281715 0.435528 H\n0.106487 0.111792 0.774796 H\n0.385456 0.635445 0.280456 O\n0.613518 0.897449 0.783559 O\n0.113518 0.102551 0.216441 O\n0.885456 0.364555 0.719544 O\n0.605191 0.414516 0.268285 O\n0.389713 0.175589 0.776530 O\n0.889713 0.824411 0.223470 O\n0.105191 0.585484 0.731715 O\n0.408146 0.730108 0.974494 O\n0.614280 0.826975 0.460017 O\n0.114280 0.173025 0.539983 O\n0.908146 0.269892 0.025506 O\n0.613037 0.317431 0.584242 O\n0.397302 0.194911 0.100641 O\n0.897302 0.805089 0.899359 O\n0.113037 0.682569 0.415758 O\n0.394885 0.208521 0.462439 O\n0.613045 0.337947 0.958875 O\n0.113045 0.662053 0.041125 O\n0.894885 0.791479 0.537561 O\n0.643878 0.881748 0.119623 O\n0.398984 0.703917 0.596428 O\n0.898984 0.296083 0.403572 O\n0.143878 0.118252 0.880377 O\n",
"nsites": 56,
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"elements": [
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"H",
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],
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"density": 2.4125304347552654,
"density_atomic": 0.13037890440078825,
"volume": 429.51733838669554,
"volume_molar": 4.6189533404022,
"formula_full": "Al8 H24 O24",
"formula_reduced": "Al(HO)3",
"formula_anonymous": "AB3C3",
"energy": -340.86422229,
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"updated_at": "2021-11-28T01:39:38.027000Z",
"spacegroup": 4
},
{
"id": "mp-758799",
"created_at": "2022-09-04T14:42:03.442789Z",
"structure_string": "Li9 Co15 O28\n1.0\n7.846980 0.000000 0.000000\n-2.040943 8.000386 0.000000\n-2.133739 -2.912526 7.882770\nLi Co O\n9 15 28\ndirect\n0.500000 0.000000 0.500000 Li\n0.215827 0.144112 0.356069 Li\n0.434992 0.286007 0.714163 Li\n0.341857 0.584051 0.927133 Li\n0.134882 0.432242 0.568307 Li\n0.865118 0.567758 0.431693 Li\n0.658143 0.415949 0.072867 Li\n0.565008 0.713993 0.285837 Li\n0.784173 0.855888 0.643931 Li\n0.000000 0.000000 0.000000 Co\n0.357684 0.065795 0.921531 Co\n0.866049 0.074079 0.432524 Co\n0.073319 0.216336 0.785110 Co\n0.000000 0.500000 0.000000 Co\n0.789071 0.358369 0.645949 Co\n0.574600 0.216413 0.292230 Co\n0.712049 0.638600 0.855694 Co\n0.500000 0.500000 0.500000 Co\n0.287951 0.361400 0.144306 Co\n0.425400 0.783587 0.707770 Co\n0.210929 0.641631 0.354051 Co\n0.926681 0.783664 0.214890 Co\n0.133951 0.925921 0.567476 Co\n0.642316 0.934205 0.078469 Co\n0.393019 0.023193 0.702618 O\n0.927481 0.013895 0.223764 O\n0.817450 0.124448 0.641856 O\n0.028526 0.259583 0.995452 O\n0.124229 0.161742 0.575105 O\n0.332259 0.312352 0.921780 O\n0.618574 0.169450 0.081279 O\n0.849804 0.308216 0.446654 O\n0.284786 0.127288 0.130551 O\n0.498977 0.258540 0.489850 O\n0.724919 0.411970 0.848054 O\n0.071164 0.446327 0.796336 O\n0.756253 0.584289 0.634648 O\n0.552089 0.458040 0.288284 O\n0.447911 0.541960 0.711716 O\n0.243747 0.415711 0.365352 O\n0.928836 0.553673 0.203664 O\n0.275081 0.588030 0.151946 O\n0.501023 0.741460 0.510150 O\n0.715214 0.872712 0.869449 O\n0.150196 0.691784 0.553346 O\n0.381426 0.830550 0.918721 O\n0.667741 0.687648 0.078220 O\n0.875771 0.838258 0.424895 O\n0.971474 0.740417 0.004548 O\n0.182550 0.875552 0.358144 O\n0.072519 0.986105 0.776236 O\n0.606981 0.976807 0.297382 O\n",
"nsites": 52,
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"elements": [
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"Co",
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],
"chemical_system": "Co-Li-O",
"density": 4.679072140200989,
"density_atomic": 0.10507780730698935,
"volume": 494.8713846690744,
"volume_molar": 5.731125262640909,
"formula_full": "Li9 Co15 O28",
"formula_reduced": "Li9Co15O28",
"formula_anonymous": "A9B15C28",
"energy": -340.86829208,
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"updated_at": "2021-11-28T01:35:33.841000Z",
"spacegroup": 2
},
{
"id": "mp-705555",
"created_at": "2022-09-04T14:43:01.442679Z",
"structure_string": "Fe20 O22\n1.0\n6.810320 0.000000 0.000000\n-2.145893 6.550603 0.000000\n-2.601589 -2.213225 10.200542\nFe O\n20 22\ndirect\n0.500000 0.000000 0.500000 Fe\n0.668272 0.912399 0.270387 Fe\n0.500000 0.000000 0.000000 Fe\n0.130956 0.178093 0.953103 Fe\n0.331728 0.087601 0.729613 Fe\n0.944731 0.259378 0.684859 Fe\n0.142786 0.180539 0.451003 Fe\n0.762125 0.360692 0.406408 Fe\n0.966056 0.273159 0.186028 Fe\n0.582563 0.442628 0.137312 Fe\n0.774996 0.348923 0.908719 Fe\n0.417437 0.557372 0.862688 Fe\n0.593724 0.470581 0.641573 Fe\n0.237875 0.639308 0.593592 Fe\n0.406276 0.529419 0.358427 Fe\n0.055269 0.740622 0.315141 Fe\n0.225004 0.651077 0.091281 Fe\n0.869044 0.821907 0.046897 Fe\n0.033944 0.726841 0.813972 Fe\n0.857214 0.819461 0.548997 Fe\n0.077001 0.445693 0.378728 O\n0.904074 0.532072 0.120073 O\n0.095926 0.467928 0.879927 O\n0.741860 0.624332 0.852952 O\n0.922999 0.554307 0.621272 O\n0.538866 0.719353 0.560154 O\n0.735331 0.651668 0.337864 O\n0.372814 0.802946 0.301734 O\n0.552086 0.733399 0.078663 O\n0.173228 0.890399 0.003625 O\n0.340059 0.821252 0.794262 O\n0.028788 0.000016 0.754824 O\n0.182996 0.915719 0.533567 O\n0.817004 0.084281 0.466433 O\n0.971212 0.999984 0.245176 O\n0.659941 0.178748 0.205738 O\n0.826772 0.109601 0.996375 O\n0.447914 0.266601 0.921337 O\n0.627186 0.197054 0.698266 O\n0.264669 0.348332 0.662136 O\n0.461134 0.280647 0.439846 O\n0.258140 0.375668 0.147048 O\n",
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{
"id": "mp-776575",
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"structure_string": "Ba6 Tm12 O24\n1.0\n3.057057 5.174882 0.000000\n-3.057057 5.174882 0.000000\n0.000000 0.157541 21.798457\nBa Tm O\n6 12 24\ndirect\n0.446899 0.225139 0.643908 Ba\n0.225139 0.446899 0.143908 Ba\n0.110869 0.889131 0.750000 Ba\n0.889131 0.110869 0.250000 Ba\n0.553101 0.774861 0.356092 Ba\n0.774861 0.553101 0.856092 Ba\n0.443154 0.218811 0.805728 Tm\n0.218811 0.443154 0.305728 Tm\n0.455262 0.215709 0.947701 Tm\n0.215709 0.455262 0.447701 Tm\n0.114096 0.877493 0.929376 Tm\n0.877493 0.114096 0.429376 Tm\n0.122507 0.885904 0.570624 Tm\n0.885904 0.122507 0.070624 Tm\n0.784291 0.544738 0.552299 Tm\n0.544738 0.784291 0.052299 Tm\n0.781189 0.556846 0.694272 Tm\n0.556846 0.781189 0.194272 Tm\n0.206681 0.092453 0.002906 O\n0.092453 0.206681 0.502906 O\n0.343591 0.995943 0.875577 O\n0.995943 0.343591 0.375577 O\n0.337126 0.104705 0.251940 O\n0.104705 0.337126 0.751940 O\n0.232045 0.527799 0.880544 O\n0.527799 0.232045 0.380544 O\n0.770988 0.110449 0.876466 O\n0.110449 0.770988 0.376466 O\n0.545751 0.454249 0.750000 O\n0.500000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.454249 0.545751 0.250000 O\n0.889551 0.229012 0.623534 O\n0.229012 0.889551 0.123534 O\n0.472201 0.767955 0.619456 O\n0.767955 0.472201 0.119456 O\n0.662874 0.895295 0.748060 O\n0.895295 0.662874 0.248060 O\n0.004057 0.656409 0.624423 O\n0.656409 0.004057 0.124423 O\n0.793319 0.907547 0.997094 O\n0.907547 0.793319 0.497094 O\n",
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"formula_full": "Ba6 Tm12 O24",
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{
"id": "mp-720713",
"created_at": "2022-09-04T14:44:22.911274Z",
"structure_string": "V4 P4 H12 Pb2 O28\n1.0\n4.461190 4.478767 0.000000\n-4.461190 4.478767 0.000000\n0.000000 2.924442 13.691926\nV P H Pb O\n4 4 12 2 28\ndirect\n0.257965 0.049255 0.468001 V\n0.049255 0.257965 0.968001 V\n0.730281 0.507300 0.569333 V\n0.507300 0.730281 0.069333 V\n0.741461 0.024275 0.521444 P\n0.024275 0.741461 0.021444 P\n0.240746 0.524600 0.524591 P\n0.524600 0.240746 0.024591 P\n0.280175 0.086070 0.257763 H\n0.086070 0.280175 0.757763 H\n0.810130 0.408086 0.782840 H\n0.408086 0.810130 0.282840 H\n0.604122 0.545645 0.781364 H\n0.545645 0.604122 0.281364 H\n0.902740 0.983094 0.714051 H\n0.983094 0.902740 0.214051 H\n0.217906 0.565500 0.786718 H\n0.565500 0.217906 0.286718 H\n0.114457 0.788174 0.786017 H\n0.788174 0.114457 0.286017 H\n0.496183 0.041384 0.777565 Pb\n0.041384 0.496183 0.277565 Pb\n0.210567 0.030174 0.586754 O\n0.030174 0.210567 0.086754 O\n0.563870 0.043260 0.457402 O\n0.043260 0.563870 0.957402 O\n0.954802 0.062654 0.452718 O\n0.062654 0.954802 0.952718 O\n0.264288 0.366266 0.449167 O\n0.366266 0.264288 0.949167 O\n0.251574 0.745893 0.461063 O\n0.745893 0.251574 0.961063 O\n0.775251 0.531362 0.452216 O\n0.531362 0.775251 0.952216 O\n0.725706 0.800471 0.586592 O\n0.800471 0.725706 0.086592 O\n0.023021 0.487238 0.594080 O\n0.487238 0.023021 0.094080 O\n0.420358 0.496503 0.589970 O\n0.496503 0.420358 0.089970 O\n0.710592 0.188982 0.595597 O\n0.188982 0.710592 0.095597 O\n0.335643 0.098445 0.317581 O\n0.098445 0.335643 0.817581 O\n0.683111 0.436883 0.748589 O\n0.436883 0.683111 0.248589 O\n0.826621 0.923935 0.778271 O\n0.923935 0.826621 0.278271 O\n0.256292 0.724305 0.769684 O\n0.724305 0.256292 0.269684 O\n",
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"formula_full": "V4 P4 H12 Pb2 O28",
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{
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