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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=119",
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"results": [
{
"id": "mp-778272",
"created_at": "2022-09-04T14:40:11.620881Z",
"structure_string": "Li8 Mn7 Fe1 B8 O24\n1.0\n6.056597 0.000000 0.000000\n2.158375 8.905738 0.000000\n1.974876 0.924118 9.515319\nLi Mn Fe B O\n8 7 1 8 24\ndirect\n0.202822 0.684351 0.123365 Li\n0.296575 0.316401 0.375343 Li\n0.046780 0.814080 0.626811 Li\n0.452832 0.184463 0.874042 Li\n0.546626 0.815207 0.126200 Li\n0.953521 0.184664 0.373557 Li\n0.704276 0.683993 0.625215 Li\n0.795396 0.315518 0.876221 Li\n0.123723 0.375877 0.104843 Mn\n0.122988 0.126006 0.642442 Mn\n0.621802 0.126565 0.143668 Mn\n0.373595 0.626306 0.392611 Mn\n0.626343 0.373951 0.607259 Mn\n0.376138 0.872743 0.856352 Mn\n0.877054 0.873585 0.357080 Mn\n0.870568 0.629572 0.893570 Fe\n0.148428 0.037137 0.114116 B\n0.101234 0.462631 0.637656 B\n0.602414 0.464680 0.133933 B\n0.351719 0.963208 0.385863 B\n0.648535 0.036431 0.614449 B\n0.397380 0.537452 0.863861 B\n0.898780 0.536545 0.364266 B\n0.853765 0.961279 0.886165 B\n0.263403 0.152996 0.059329 O\n0.014949 0.651938 0.309133 O\n0.272203 0.106293 0.430082 O\n0.021069 0.604156 0.685079 O\n0.229688 0.894304 0.068926 O\n0.294548 0.436303 0.530011 O\n0.046792 0.935020 0.778843 O\n0.488639 0.348634 0.190093 O\n0.235452 0.847941 0.441505 O\n0.454208 0.064051 0.720981 O\n0.201700 0.566474 0.969061 O\n0.521455 0.607094 0.180090 O\n0.477983 0.393924 0.819999 O\n0.795093 0.438784 0.026190 O\n0.546077 0.934786 0.279535 O\n0.763812 0.151976 0.558974 O\n0.515268 0.651872 0.808655 O\n0.953740 0.064474 0.220322 O\n0.704407 0.564732 0.470731 O\n0.769964 0.103916 0.931124 O\n0.978613 0.394054 0.318803 O\n0.728985 0.893348 0.569793 O\n0.985699 0.346707 0.691461 O\n0.742961 0.843579 0.942393 O\n",
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"elements": [
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"Mn",
"Fe",
"B",
"O"
],
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"density": 3.1267263860965993,
"density_atomic": 0.0935231860220093,
"volume": 513.2417108705419,
"volume_molar": 6.439195472428386,
"formula_full": "Li8 Mn7 Fe1 B8 O24",
"formula_reduced": "Li8Mn7Fe(BO3)8",
"formula_anonymous": "AB7C8D8E24",
"energy": -379.66283088,
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"updated_at": "2021-11-28T01:34:49.670000Z",
"spacegroup": 1
},
{
"id": "mp-775188",
"created_at": "2022-09-04T14:40:11.727373Z",
"structure_string": "Mn12 O10 F14\n1.0\n4.735811 -0.139917 0.026938\n-0.156206 5.753453 -0.023111\n0.087630 -0.056664 15.577290\nMn O F\n12 10 14\ndirect\n0.042931 0.155096 0.413932 Mn\n0.978132 0.845908 0.248811 Mn\n0.028892 0.165434 0.079669 Mn\n0.995153 0.188744 0.746132 Mn\n0.020963 0.863148 0.581310 Mn\n0.056572 0.836425 0.920922 Mn\n0.487547 0.336772 0.583928 Mn\n0.477393 0.355040 0.918542 Mn\n0.478057 0.350770 0.247229 Mn\n0.501707 0.638394 0.088472 Mn\n0.463366 0.656461 0.423534 Mn\n0.504338 0.623683 0.749090 Mn\n0.215169 0.115125 0.303141 O\n0.213911 0.121215 0.637003 O\n0.238198 0.120857 0.974189 O\n0.223537 0.885721 0.473606 O\n0.276088 0.381524 0.139073 O\n0.279349 0.387252 0.476692 O\n0.282867 0.386832 0.813620 O\n0.304024 0.608638 0.978283 O\n0.706988 0.614075 0.195040 O\n0.696931 0.383578 0.690872 O\n0.230447 0.884627 0.140544 F\n0.260692 0.868551 0.800435 F\n0.233870 0.614521 0.308990 F\n0.250546 0.615286 0.640405 F\n0.738805 0.369173 0.018887 F\n0.708110 0.395979 0.357238 F\n0.738142 0.621341 0.533678 F\n0.761796 0.606793 0.865691 F\n0.774977 0.120151 0.184789 F\n0.774730 0.130286 0.516063 F\n0.741597 0.887734 0.363492 F\n0.778169 0.879786 0.033837 F\n0.769677 0.112529 0.861404 F\n0.766327 0.872555 0.691459 F\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.249360249429023,
"density_atomic": 0.08488987417153321,
"volume": 424.0788474636727,
"volume_molar": 7.094062535457795,
"formula_full": "Mn12 O10 F14",
"formula_reduced": "Mn6O5F7",
"formula_anonymous": "A5B6C7",
"energy": -273.12827276,
"energy_per_atom": -7.586896465555556,
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"energy_uncorrected": -239.77427276,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:50.782000Z",
"spacegroup": 1
},
{
"id": "mp-757882",
"created_at": "2022-09-04T14:40:11.745658Z",
"structure_string": "Li12 V6 P16 O58\n1.0\n-9.796252 0.000000 0.000000\n4.842468 8.522662 0.000000\n-0.002545 -0.078747 -13.981756\nLi V P O\n12 6 16 58\ndirect\n0.093494 0.760742 0.558193 Li\n0.662755 0.900559 0.561768 Li\n0.333897 0.672531 0.888695 Li\n0.676813 0.768201 0.061978 Li\n0.091795 0.324661 0.058802 Li\n0.236080 0.331472 0.562812 Li\n0.911727 0.681496 0.939372 Li\n0.654909 0.322482 0.109514 Li\n0.334237 0.097002 0.438045 Li\n0.901214 0.234773 0.440975 Li\n0.059226 0.038096 0.996448 Li\n0.960415 0.944931 0.493344 Li\n0.563147 0.562599 0.254562 V\n0.440552 0.438183 0.749193 V\n0.999816 0.562850 0.749459 V\n0.999360 0.436237 0.249237 V\n0.433583 0.997975 0.244478 V\n0.564107 0.001689 0.754587 V\n0.218170 0.913687 0.843479 P\n0.087323 0.776591 0.340339 P\n0.688605 0.917626 0.342784 P\n0.331900 0.661159 0.129141 P\n0.333590 0.666514 0.629170 P\n0.683777 0.773983 0.843931 P\n0.778286 0.695523 0.657974 P\n0.094632 0.315633 0.842831 P\n0.907576 0.685336 0.156756 P\n0.227694 0.313791 0.345776 P\n0.309904 0.221457 0.160293 P\n0.664085 0.329060 0.369051 P\n0.671222 0.338116 0.870245 P\n0.310005 0.082501 0.656743 P\n0.911033 0.223931 0.660490 P\n0.780718 0.088191 0.157513 P\n0.225407 0.997612 0.565905 O\n0.256053 0.917944 0.335285 O\n0.989892 0.763921 0.066578 O\n0.078088 0.743341 0.840461 O\n0.369853 0.899559 0.833257 O\n0.331571 0.806091 0.172037 O\n0.536630 0.925548 0.327225 O\n0.784727 0.989740 0.077411 O\n0.659525 0.917531 0.839646 O\n0.184822 0.671325 0.670717 O\n0.084900 0.618619 0.329658 O\n0.484366 0.811394 0.671449 O\n0.333379 0.655619 0.021694 O\n0.330705 0.667203 0.522316 O\n0.480204 0.658847 0.169471 O\n0.104155 0.478707 0.829744 O\n0.181109 0.510391 0.167389 O\n0.655687 0.749559 0.337506 O\n0.798583 0.788675 0.758444 O\n0.794394 0.805870 0.578928 O\n0.762296 0.765210 0.934520 O\n0.518592 0.627949 0.828584 O\n0.325686 0.512699 0.669022 O\n0.741296 0.664737 0.160904 O\n0.376644 0.472464 0.331112 O\n0.079997 0.331496 0.341557 O\n0.997845 0.793731 0.248527 O\n0.011267 0.789138 0.431074 O\n0.999171 0.227480 0.570559 O\n0.916738 0.662736 0.656654 O\n0.618659 0.544756 0.663200 O\n0.262652 0.344781 0.834957 O\n0.664870 0.476954 0.323139 O\n0.470174 0.374288 0.166092 O\n0.204177 0.211175 0.079986 O\n0.231403 0.231751 0.436508 O\n0.213690 0.199703 0.258339 O\n0.337867 0.251118 0.658301 O\n0.822901 0.487975 0.832404 O\n0.890659 0.519742 0.172500 O\n0.530940 0.347060 0.823128 O\n0.671687 0.346067 0.977059 O\n0.669146 0.329228 0.475477 O\n0.510591 0.185832 0.328789 O\n0.905094 0.376977 0.673515 O\n0.812098 0.324463 0.326632 O\n0.345413 0.083870 0.159115 O\n0.199360 0.991513 0.745296 O\n0.207944 0.003045 0.925911 O\n0.465265 0.080528 0.671989 O\n0.667035 0.189636 0.828527 O\n0.630660 0.103671 0.166415 O\n0.922049 0.257384 0.155840 O\n0.016112 0.232831 0.933242 O\n0.999408 0.205275 0.752336 O\n0.744902 0.079627 0.661118 O\n0.773155 0.998237 0.435251 O\n0.803720 0.016643 0.257119 O\n",
"nsites": 92,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 2.578261239550788,
"density_atomic": 0.07881173619047616,
"volume": 1167.3388310803075,
"volume_molar": 7.641172560195082,
"formula_full": "Li12 V6 P16 O58",
"formula_reduced": "Li6V3P8O29",
"formula_anonymous": "A3B6C8D29",
"energy": -692.0645448500001,
"energy_per_atom": -7.522440704891305,
"energy_above_hull": null,
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"energy_uncorrected": -642.01854485,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.096000Z",
"spacegroup": 1
},
{
"id": "mp-1075962",
"created_at": "2022-09-04T14:41:11.725641Z",
"structure_string": "Sr5 Ca3 Ti3 Mn5 O24\n1.0\n7.735315 0.000000 0.000000\n-0.001379 7.775398 0.000000\n-0.000896 -0.001257 7.778909\nSr Ca Ti Mn O\n5 3 3 5 24\ndirect\n0.753929 0.751400 0.751318 Sr\n0.245959 0.751385 0.751304 Sr\n0.753973 0.751283 0.248709 Sr\n0.246005 0.751367 0.248749 Sr\n0.754314 0.248643 0.248595 Sr\n0.755483 0.248335 0.751598 Ca\n0.244389 0.248372 0.751712 Ca\n0.244903 0.248312 0.248304 Ca\n0.499011 0.496943 0.999299 Ti\n0.499020 0.002080 0.500974 Ti\n0.498964 0.497964 0.500669 Ti\n0.000506 0.001507 0.999436 Mn\n0.499367 0.001327 0.999548 Mn\n0.000339 0.498213 0.999474 Mn\n0.000381 0.001706 0.500572 Mn\n0.000322 0.498355 0.500571 Mn\n0.000281 0.005644 0.749923 O\n0.499556 0.004242 0.753158 O\n0.000211 0.494384 0.750207 O\n0.499518 0.496349 0.750497 O\n0.002746 0.003222 0.250024 O\n0.498069 0.002799 0.246898 O\n0.002787 0.496799 0.249809 O\n0.498416 0.497414 0.249481 O\n0.000278 0.750010 0.999778 O\n0.499568 0.753063 0.999586 O\n0.002643 0.250106 0.997319 O\n0.498174 0.246762 0.998149 O\n0.000155 0.750189 0.500230 O\n0.499565 0.750563 0.500470 O\n0.002751 0.249822 0.502678 O\n0.498512 0.249510 0.501544 O\n0.749610 0.003058 0.997247 O\n0.250466 0.005608 0.999852 O\n0.752945 0.497299 0.998077 O\n0.247003 0.495912 0.999588 O\n0.752930 0.002726 0.501904 O\n0.247028 0.004151 0.500430 O\n0.753265 0.497293 0.501905 O\n0.246656 0.495883 0.500410 O\n",
"nsites": 40,
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"elements": [
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"Ca",
"Ti",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O-Sr-Ti",
"density": 4.829072169782837,
"density_atomic": 0.0854949904038306,
"volume": 467.86367026959516,
"volume_molar": 7.043852197134323,
"formula_full": "Sr5 Ca3 Ti3 Mn5 O24",
"formula_reduced": "Sr5Ca3Ti3Mn5O24",
"formula_anonymous": "A3B3C5D5E24",
"energy": -317.00471799,
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"updated_at": "2021-11-28T01:35:13.635000Z",
"spacegroup": 1
},
{
"id": "mp-673834",
"created_at": "2022-09-04T14:40:11.791628Z",
"structure_string": "Mg20 Al8 Se32\n1.0\n9.760590 0.000000 0.000000\n0.654214 9.838618 0.000000\n0.581614 1.201858 17.021547\nMg Al Se\n20 8 32\ndirect\n0.971629 0.987177 0.972709 Mg\n0.103076 0.066479 0.165975 Mg\n0.125212 0.998168 0.701407 Mg\n0.409048 0.985502 0.280250 Mg\n0.516476 0.958624 0.802629 Mg\n0.500144 0.973394 0.009527 Mg\n0.598601 0.911616 0.483286 Mg\n0.433108 0.292469 0.153873 Mg\n0.431612 0.198625 0.605847 Mg\n0.447805 0.525226 0.352692 Mg\n0.467887 0.499143 0.758202 Mg\n0.573149 0.530727 0.535141 Mg\n0.562745 0.524223 0.967709 Mg\n0.960708 0.500588 0.491969 Mg\n0.898822 0.870661 0.293551 Mg\n0.121235 0.463064 0.981607 Mg\n0.959256 0.530082 0.299773 Mg\n0.918389 0.456386 0.762959 Mg\n0.010739 0.702981 0.155700 Mg\n0.974656 0.773601 0.590166 Mg\n0.180280 0.740708 0.373027 Al\n0.201660 0.723158 0.851890 Al\n0.262687 0.740169 0.596098 Al\n0.337534 0.677956 0.117514 Al\n0.613877 0.202404 0.888159 Al\n0.692624 0.228688 0.361557 Al\n0.796100 0.143881 0.639902 Al\n0.825212 0.224950 0.096717 Al\n0.917385 0.263212 0.276745 Se\n0.594062 0.176639 0.723671 Se\n0.853097 0.981963 0.141135 Se\n0.879545 0.926493 0.692397 Se\n0.719140 0.474443 0.403931 Se\n0.689213 0.428670 0.841890 Se\n0.947884 0.764556 0.442155 Se\n0.987228 0.609044 0.867454 Se\n0.560923 0.713933 0.060530 Se\n0.635852 0.742726 0.603968 Se\n0.792258 0.414635 0.179380 Se\n0.816969 0.549041 0.622774 Se\n0.659901 0.977098 0.338971 Se\n0.728321 0.977997 0.912831 Se\n0.610533 0.278136 0.033308 Se\n0.666209 0.159839 0.514815 Se\n0.387966 0.737616 0.457093 Se\n0.155122 0.796062 0.039263 Se\n0.225038 0.465756 0.127443 Se\n0.368716 0.456009 0.623097 Se\n0.133883 0.990334 0.321880 Se\n0.132429 0.959960 0.851768 Se\n0.468720 0.282459 0.305488 Se\n0.385793 0.128931 0.895127 Se\n0.036465 0.221536 0.023154 Se\n0.986511 0.290960 0.648084 Se\n0.364058 0.052795 0.135404 Se\n0.278471 0.012483 0.576395 Se\n0.167352 0.482109 0.391656 Se\n0.336903 0.510826 0.899065 Se\n0.366690 0.722568 0.255638 Se\n0.381092 0.761518 0.745155 Se\n",
"nsites": 60,
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"elements": [
"Mg",
"Al",
"Se"
],
"chemical_system": "Al-Mg-Se",
"density": 3.2799246672416027,
"density_atomic": 0.036706421982772804,
"volume": 1634.5913537462036,
"volume_molar": 16.40623202889765,
"formula_full": "Mg20 Al8 Se32",
"formula_reduced": "Mg5(AlSe4)2",
"formula_anonymous": "A2B5C8",
"energy": -237.11868649,
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"updated_at": "2021-11-28T01:34:51.805000Z",
"spacegroup": 1
},
{
"id": "mp-684747",
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"formula_full": "Mg1 Cr4 Hg4 H4 O18",
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},
{
"id": "mp-1244957",
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"structure_string": "Cr28 Fe4 O48\n1.0\n9.090955 -0.094863 -0.017464\n-0.008362 10.358659 1.179125\n0.053202 1.108603 10.537938\nCr Fe O\n28 4 48\ndirect\n0.338932 0.323907 0.109696 Cr\n0.017874 0.473714 0.087742 Cr\n0.319613 0.980044 0.346227 Cr\n0.726047 0.024538 0.949542 Cr\n0.819400 0.712827 0.220431 Cr\n0.438281 0.247708 0.387392 Cr\n0.199056 0.671931 0.333858 Cr\n0.389486 0.439587 0.617416 Cr\n0.040411 0.018709 0.834986 Cr\n0.871713 0.999922 0.597764 Cr\n0.720167 0.476788 0.102419 Cr\n0.488402 0.834166 0.125274 Cr\n0.128719 0.415738 0.449708 Cr\n0.488281 0.534973 0.335653 Cr\n0.366130 0.786609 0.593183 Cr\n0.269299 0.120015 0.631955 Cr\n0.831658 0.778191 0.914234 Cr\n0.782762 0.284226 0.389096 Cr\n0.737492 0.734038 0.592595 Cr\n0.861148 0.510041 0.783217 Cr\n0.632136 0.249834 0.653091 Cr\n0.985295 0.836299 0.403930 Cr\n0.432078 0.131234 0.854133 Cr\n0.111656 0.725177 0.077099 Cr\n0.918223 0.214479 0.080324 Cr\n0.295755 0.601488 0.852900 Cr\n0.169112 0.307807 0.884518 Cr\n0.368311 0.853940 0.873219 Cr\n0.073240 0.636082 0.635912 Fe\n0.548855 0.143861 0.158789 Fe\n0.563397 0.360858 0.899870 Fe\n0.699580 0.974244 0.374092 Fe\n0.683116 0.927033 0.557208 O\n0.910320 0.017029 0.402165 O\n0.251461 0.785552 0.751593 O\n0.566439 0.356847 0.475173 O\n0.259301 0.265027 0.484033 O\n0.386319 0.173104 0.020743 O\n0.881935 0.629428 0.072988 O\n0.564918 0.342589 0.091194 O\n0.826316 0.964756 0.801316 O\n0.779264 0.182531 0.572956 O\n0.835998 0.421896 0.963387 O\n0.771428 0.683988 0.791650 O\n0.135161 0.603876 0.958118 O\n0.021677 0.858715 0.945562 O\n0.855815 0.352531 0.200306 O\n0.302650 0.585117 0.679836 O\n0.736713 0.096828 0.103747 O\n0.775486 0.793917 0.372489 O\n0.341082 0.421543 0.923330 O\n0.057468 0.451028 0.777033 O\n0.504122 0.952986 0.253752 O\n0.532766 0.703999 0.562051 O\n0.209300 0.822374 0.421933 O\n0.629103 0.164621 0.334741 O\n0.262125 0.022765 0.823450 O\n0.651895 0.190200 0.846189 O\n0.485585 0.128875 0.669841 O\n0.730298 0.835821 0.072364 O\n0.119094 0.314479 0.070524 O\n0.045184 0.600783 0.455808 O\n0.568425 0.399435 0.711065 O\n0.344890 0.163059 0.260155 O\n0.029206 0.791971 0.228513 O\n0.059316 0.069512 0.658828 O\n0.666923 0.571262 0.236869 O\n0.522085 0.961435 0.946414 O\n0.956331 0.346510 0.430826 O\n0.293143 0.274790 0.738531 O\n0.806071 0.555435 0.616187 O\n0.390397 0.404876 0.262094 O\n0.452164 0.675062 0.911239 O\n0.351724 0.986442 0.521553 O\n0.410923 0.703023 0.266007 O\n0.310635 0.524892 0.449827 O\n0.950329 0.809175 0.591713 O\n0.136581 0.559555 0.207446 O\n0.010023 0.155350 0.916595 O\n0.296423 0.823806 0.049479 O\n",
"nsites": 80,
"nelements": 3,
"elements": [
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"Fe",
"O"
],
"chemical_system": "Cr-Fe-O",
"density": 4.144683916826159,
"density_atomic": 0.08159346713226028,
"volume": 980.4706530036613,
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"formula_full": "Cr28 Fe4 O48",
"formula_reduced": "Cr7FeO12",
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"updated_at": "2021-11-28T01:34:49.075000Z",
"spacegroup": 1
},
{
"id": "mp-1073134",
"created_at": "2022-09-04T14:40:12.358406Z",
"structure_string": "Mg8 Si12\n1.0\n3.793340 0.000000 0.000000\n-0.957090 5.867899 0.000000\n-0.625491 -1.041384 16.866731\nMg Si\n8 12\ndirect\n0.465546 0.897905 0.785282 Mg\n0.200306 0.222881 0.194681 Mg\n0.595331 0.197031 0.942651 Mg\n0.046760 0.908759 0.053331 Mg\n0.085335 0.664297 0.291469 Mg\n0.552985 0.441127 0.713087 Mg\n0.967475 0.430299 0.458560 Mg\n0.432629 0.124496 0.554720 Mg\n0.453143 0.694191 0.946256 Si\n0.224372 0.431098 0.048829 Si\n0.918337 0.609405 0.857857 Si\n0.762476 0.521020 0.135681 Si\n0.783801 0.052230 0.326155 Si\n0.967599 0.114539 0.681200 Si\n0.877616 0.891814 0.455532 Si\n0.550585 0.652004 0.556202 Si\n0.369293 0.306619 0.344888 Si\n0.082197 0.734324 0.643365 Si\n0.055040 0.227801 0.822532 Si\n0.609071 0.878143 0.187832 Si\n",
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"elements": [
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],
"chemical_system": "Mg-Si",
"density": 2.350657007936475,
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"volume": 375.43548573441427,
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"formula_full": "Mg8 Si12",
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"updated_at": "2021-11-28T01:34:52.966000Z",
"spacegroup": 1
}
]
}