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{
"id": "mp-534807",
"created_at": "2022-09-04T14:42:47.158263Z",
"structure_string": "Ca5 Y7 Al16 Cr2 Si2 O48\n1.0\n10.522786 -0.014015 -0.011525\n-3.520811 9.913324 0.009214\n-3.510440 -4.944966 8.573482\nCa Y Al Cr Si O\n5 7 16 2 2 48\ndirect\n0.631768 0.251918 0.874955 Ca\n0.756176 0.628637 0.870632 Ca\n0.873413 0.751109 0.626161 Ca\n0.748663 0.124121 0.374286 Ca\n0.878438 0.621285 0.246024 Ca\n0.254962 0.880388 0.629320 Y\n0.122465 0.373426 0.750430 Y\n0.123367 0.249626 0.377115 Y\n0.244087 0.369898 0.126095 Y\n0.629220 0.880704 0.757768 Y\n0.376058 0.749400 0.122291 Y\n0.378161 0.124681 0.251203 Y\n0.123945 0.750345 0.877754 Al\n0.997093 0.004752 0.499801 Al\n0.999707 0.498558 0.998598 Al\n0.376967 0.626690 0.748531 Al\n0.246818 0.121268 0.873544 Al\n0.253920 0.626287 0.375811 Al\n0.994961 0.993006 0.993212 Al\n0.371065 0.243988 0.621366 Al\n0.499033 0.497760 0.499156 Al\n0.502380 0.003253 0.508961 Al\n0.750465 0.881058 0.125377 Al\n0.743331 0.373084 0.623706 Al\n0.621151 0.373330 0.249056 Al\n0.501566 0.001979 0.002140 Al\n0.875048 0.124609 0.750181 Al\n0.875993 0.250674 0.120412 Al\n0.995809 0.501177 0.499578 Cr\n0.509475 0.500723 0.997928 Cr\n0.125492 0.873378 0.251097 Si\n0.626289 0.752779 0.377543 Si\n0.100968 0.982956 0.673294 O\n0.023113 0.319713 0.903400 O\n0.122290 0.597461 0.918326 O\n0.085426 0.695894 0.680224 O\n0.085947 0.886873 0.394026 O\n0.104419 0.619930 0.425727 O\n0.179334 0.478688 0.599871 O\n0.417119 0.820147 0.801851 O\n0.304425 0.323644 0.924850 O\n0.382499 0.580088 0.901180 O\n0.021570 0.196079 0.122510 O\n0.309759 0.914624 0.302156 O\n0.179565 0.202264 0.583281 O\n0.205553 0.582411 0.180586 O\n0.400131 0.821749 0.521485 O\n0.298119 0.477908 0.380494 O\n0.320194 0.900805 0.024723 O\n0.117977 0.007082 0.201453 O\n0.515238 0.619935 0.691124 O\n0.395032 0.074969 0.882999 O\n0.510549 0.399918 0.819338 O\n0.376635 0.296588 0.477440 O\n0.574883 0.886936 0.382181 O\n0.196848 0.117418 0.019961 O\n0.801424 0.884055 0.982025 O\n0.415978 0.096543 0.617637 O\n0.610015 0.698806 0.504369 O\n0.493711 0.607834 0.192603 O\n0.592865 0.912899 0.115543 O\n0.475486 0.379307 0.297055 O\n0.880865 0.983397 0.804322 O\n0.681751 0.096442 0.983621 O\n0.690035 0.511731 0.606746 O\n0.593353 0.174216 0.478881 O\n0.808531 0.422904 0.820929 O\n0.806364 0.806522 0.412939 O\n0.679672 0.076128 0.695530 O\n0.985093 0.804401 0.882753 O\n0.613638 0.420190 0.098758 O\n0.690674 0.679310 0.078844 O\n0.577319 0.180224 0.196330 O\n0.819947 0.513402 0.398492 O\n0.902746 0.389113 0.583202 O\n0.923198 0.122255 0.603007 O\n0.925694 0.311152 0.321842 O\n0.891846 0.405556 0.084289 O\n0.999260 0.693493 0.108456 O\n0.905654 0.022153 0.319311 O\n",
"nsites": 80,
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"elements": [
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"Y",
"Al",
"Cr",
"Si",
"O"
],
"chemical_system": "Al-Ca-Cr-O-Si-Y",
"density": 4.054848791973086,
"density_atomic": 0.08950501677091444,
"volume": 893.8046478976452,
"volume_molar": 6.728271751977322,
"formula_full": "Ca5 Y7 Al16 Cr2 Si2 O48",
"formula_reduced": "Ca5Y7Al16Cr2(SiO24)2",
"formula_anonymous": "A2B2C5D7E16F48",
"energy": -658.61276963,
"energy_per_atom": -8.232659620375,
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"energy_uncorrected": -621.63876963,
"band_gap": 0.0813999999999999,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.743000Z",
"spacegroup": 1
},
{
"id": "mp-1211355",
"created_at": "2022-09-04T14:42:48.315876Z",
"structure_string": "K1 Li1 Al2 Si4 O10 F2\n1.0\n4.617929 2.668281 0.000000\n-4.617929 2.668281 0.000000\n0.000000 1.969111 10.203603\nK Li Al Si O F\n1 1 2 4 10 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Li\n0.830241 0.169759 0.500000 Al\n0.169759 0.830241 0.500000 Al\n0.587410 0.250425 0.231267 Si\n0.412590 0.749575 0.768733 Si\n0.749575 0.412590 0.768733 Si\n0.250425 0.587410 0.231267 Si\n0.429677 0.941586 0.168349 O\n0.570323 0.058414 0.831651 O\n0.058414 0.570323 0.831651 O\n0.941586 0.429677 0.168349 O\n0.537432 0.174631 0.396263 O\n0.462568 0.825369 0.603737 O\n0.825369 0.462568 0.603737 O\n0.174631 0.537432 0.396263 O\n0.454552 0.454552 0.174835 O\n0.545448 0.545448 0.825165 O\n0.886262 0.886262 0.408411 F\n0.113738 0.113738 0.591589 F\n",
"nsites": 20,
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"elements": [
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"O",
"F"
],
"chemical_system": "Al-F-K-Li-O-Si",
"density": 2.70972669822607,
"density_atomic": 0.07953671172099179,
"volume": 251.45620892850522,
"volume_molar": 7.571523425717136,
"formula_full": "K1 Li1 Al2 Si4 O10 F2",
"formula_reduced": "KLiAl2Si4(O5F)2",
"formula_anonymous": "ABC2D2E4F10",
"energy": -144.35070416000002,
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"updated_at": "2021-11-28T01:35:59.424000Z",
"spacegroup": 12
},
{
"id": "mp-684968",
"created_at": "2022-09-04T14:42:48.704664Z",
"structure_string": "Ba2 Yb2 Al4 Si2 N10 O4\n1.0\n5.739763 3.159573 0.000000\n-5.739763 3.159573 0.000000\n0.000000 1.616534 8.774737\nBa Yb Al Si N O\n2 2 4 2 10 4\ndirect\n0.667898 0.397380 0.820219 Ba\n0.397380 0.667898 0.320219 Ba\n0.711584 0.290077 0.206916 Yb\n0.290077 0.711584 0.706916 Yb\n0.348609 0.164880 0.525439 Al\n0.801323 0.141566 0.566895 Al\n0.164880 0.348609 0.025439 Al\n0.141566 0.801323 0.066895 Al\n0.871302 0.635085 0.456392 Si\n0.635085 0.871302 0.956392 Si\n0.998178 0.007705 0.965096 N\n0.489232 0.989402 0.052285 N\n0.495870 0.564016 0.008544 N\n0.025198 0.519346 0.984566 N\n0.989402 0.489232 0.552285 N\n0.014462 0.913809 0.831658 N\n0.564016 0.495870 0.508544 N\n0.007705 0.998178 0.465096 N\n0.519346 0.025198 0.484566 N\n0.913809 0.014462 0.331658 N\n0.240643 0.054477 0.737216 O\n0.678604 0.979339 0.766273 O\n0.054477 0.240643 0.237216 O\n0.979339 0.678604 0.266273 O\n",
"nsites": 24,
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"elements": [
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"Yb",
"Al",
"Si",
"N",
"O"
],
"chemical_system": "Al-Ba-N-O-Si-Yb",
"density": 5.159565752501327,
"density_atomic": 0.07540927810323948,
"volume": 318.2632244157366,
"volume_molar": 7.985941400679311,
"formula_full": "Ba2 Yb2 Al4 Si2 N10 O4",
"formula_reduced": "BaYbAl2SiN5O2",
"formula_anonymous": "ABCD2E2F5",
"energy": -168.01955962,
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"updated_at": "2021-11-28T01:35:50.254000Z",
"spacegroup": 9
},
{
"id": "mp-727111",
"created_at": "2022-09-04T14:42:43.138952Z",
"structure_string": "Mn2 H32 C8 N2 O4 F8\n1.0\n2.805888 8.131759 0.000000\n-2.805888 8.131759 0.000000\n0.000000 1.487676 10.768802\nMn H C N O F\n2 32 8 2 4 8\ndirect\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.256821 0.210487 0.274979 H\n0.789513 0.743179 0.225021 H\n0.743179 0.789513 0.725021 H\n0.210487 0.256821 0.774979 H\n0.411760 0.016814 0.387767 H\n0.983186 0.588240 0.112233 H\n0.588240 0.983186 0.612233 H\n0.016814 0.411760 0.887767 H\n0.790481 0.395284 0.094829 H\n0.604716 0.209519 0.405171 H\n0.209519 0.604716 0.905171 H\n0.395284 0.790481 0.594829 H\n0.001551 0.196870 0.219735 H\n0.803130 0.998449 0.280265 H\n0.998449 0.803130 0.780265 H\n0.196870 0.001551 0.719735 H\n0.960602 0.079068 0.122288 H\n0.920932 0.039398 0.377712 H\n0.039398 0.920932 0.877712 H\n0.079068 0.960602 0.622288 H\n0.470529 0.707197 0.257984 H\n0.292803 0.529471 0.242016 H\n0.529471 0.292803 0.742016 H\n0.707197 0.470529 0.757984 H\n0.397442 0.614204 0.386577 H\n0.385796 0.602558 0.113423 H\n0.602558 0.385796 0.613423 H\n0.614204 0.397442 0.886577 H\n0.695757 0.481547 0.375846 H\n0.518453 0.304243 0.124154 H\n0.304243 0.518453 0.624154 H\n0.481547 0.695757 0.875846 H\n0.867383 0.247096 0.164876 C\n0.752904 0.132617 0.335124 C\n0.132617 0.752904 0.835124 C\n0.247096 0.867383 0.664876 C\n0.546885 0.553074 0.323579 C\n0.446926 0.453115 0.176421 C\n0.453115 0.446926 0.676421 C\n0.553074 0.546885 0.823579 C\n0.654156 0.345844 0.250000 N\n0.345844 0.654156 0.750000 N\n0.238786 0.182449 0.364553 O\n0.817551 0.761214 0.135447 O\n0.761214 0.817551 0.635447 O\n0.182449 0.238786 0.864553 O\n0.149526 0.574450 0.439480 F\n0.425550 0.850474 0.060520 F\n0.850474 0.425550 0.560520 F\n0.574449 0.149526 0.939480 F\n0.740126 0.740968 0.380815 F\n0.259032 0.259874 0.119185 F\n0.259874 0.259032 0.619185 F\n0.740968 0.740126 0.880815 F\n",
"nsites": 56,
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"elements": [
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"C",
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"F"
],
"chemical_system": "C-F-H-Mn-N-O",
"density": 1.6294336851060947,
"density_atomic": 0.11395563583977952,
"volume": 491.41931057043496,
"volume_molar": 5.284636179352349,
"formula_full": "Mn2 H32 C8 N2 O4 F8",
"formula_reduced": "MnH16C4N(OF2)2",
"formula_anonymous": "ABC2D4E4F16",
"energy": -303.67003781,
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"updated_at": "2021-11-28T01:35:58.776000Z",
"spacegroup": 15
},
{
"id": "mp-1200250",
"created_at": "2022-09-04T14:42:46.520636Z",
"structure_string": "Na4 Li4 Ni4 P4 O16 F4\n1.0\n11.297374 0.000000 0.000000\n0.000000 5.078519 0.000000\n0.000000 0.031244 6.847585\nNa Li Ni P O F\n4 4 4 4 16 4\ndirect\n0.334891 0.751804 0.490295 Na\n0.834891 0.748196 0.509705 Na\n0.665109 0.248196 0.509705 Na\n0.165109 0.251804 0.490295 Na\n0.418380 0.265990 0.255134 Li\n0.918380 0.234010 0.744866 Li\n0.581620 0.734010 0.744866 Li\n0.081620 0.765990 0.255134 Li\n0.327869 0.734223 0.019693 Ni\n0.827869 0.765777 0.980307 Ni\n0.672131 0.265777 0.980307 Ni\n0.172131 0.234223 0.019693 Ni\n0.081810 0.725617 0.756492 P\n0.581810 0.774383 0.243508 P\n0.918190 0.274383 0.243508 P\n0.418190 0.225617 0.756492 P\n0.375803 0.262568 0.544444 O\n0.875803 0.237432 0.455556 O\n0.624197 0.737432 0.455556 O\n0.124197 0.762568 0.544444 O\n0.170952 0.863275 0.897706 O\n0.670952 0.636725 0.102294 O\n0.829048 0.136725 0.102294 O\n0.329048 0.363275 0.897706 O\n0.426244 0.924736 0.805264 O\n0.926244 0.575264 0.194736 O\n0.573756 0.075264 0.194736 O\n0.073756 0.424736 0.805264 O\n0.541407 0.356634 0.783667 O\n0.041407 0.143366 0.216333 O\n0.458593 0.643366 0.216333 O\n0.958593 0.856634 0.783667 O\n0.286563 0.034979 0.210377 F\n0.786563 0.465021 0.789623 F\n0.713437 0.965021 0.789623 F\n0.213437 0.534979 0.210377 F\n",
"nsites": 36,
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"elements": [
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],
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"density": 3.425180853638053,
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"formula_full": "Na4 Li4 Ni4 P4 O16 F4",
"formula_reduced": "NaLiNiPO4F",
"formula_anonymous": "ABCDEF4",
"energy": -234.81581025,
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"spacegroup": 14
},
{
"id": "mp-776451",
"created_at": "2022-09-04T14:42:42.940883Z",
"structure_string": "Li6 Mn3 V3 P6 H6 O30\n1.0\n5.502256 0.000000 0.000000\n1.690129 9.999742 0.000000\n1.206576 1.577244 9.957425\nLi Mn V P H O\n6 3 3 6 6 30\ndirect\n0.866336 0.024292 0.196723 Li\n0.800423 0.311505 0.131468 Li\n0.133664 0.975708 0.803277 Li\n0.199577 0.688495 0.868532 Li\n0.537906 0.358688 0.529562 Li\n0.462094 0.641312 0.470438 Li\n0.837287 0.664174 0.165061 Mn\n0.000000 0.500000 0.500000 Mn\n0.162713 0.335826 0.834939 Mn\n0.336500 0.167329 0.164062 V\n0.500000 0.000000 0.500000 V\n0.663500 0.832671 0.835938 V\n0.729682 0.135873 0.900671 P\n0.948232 0.197209 0.429503 P\n0.270318 0.864127 0.099329 P\n0.051768 0.802791 0.570497 P\n0.406205 0.468580 0.234224 P\n0.593795 0.531420 0.765776 P\n0.830981 0.597212 0.939800 H\n0.835821 0.729736 0.393586 H\n0.169019 0.402788 0.060200 H\n0.164179 0.270264 0.606414 H\n0.504906 0.932192 0.270674 H\n0.495094 0.067808 0.729326 H\n0.778119 0.978982 0.908983 O\n0.672272 0.167539 0.047682 O\n0.700339 0.153171 0.494477 O\n0.831640 0.865246 0.487316 O\n0.807236 0.469074 0.852455 O\n0.985029 0.177512 0.839232 O\n0.855648 0.685513 0.965288 O\n0.999789 0.834225 0.717339 O\n0.000211 0.165775 0.282661 O\n0.900207 0.354495 0.424222 O\n0.813605 0.641399 0.369153 O\n0.221881 0.021018 0.091017 O\n0.144352 0.314487 0.034712 O\n0.168360 0.134754 0.512684 O\n0.014971 0.822488 0.160768 O\n0.299661 0.846829 0.505523 O\n0.192764 0.530926 0.147545 O\n0.186395 0.358601 0.630847 O\n0.099793 0.645505 0.575778 O\n0.521337 0.020764 0.297445 O\n0.451227 0.311405 0.240973 O\n0.358608 0.501475 0.379037 O\n0.327728 0.832461 0.952318 O\n0.478663 0.979236 0.702555 O\n0.339386 0.491593 0.833379 O\n0.518116 0.198443 0.813688 O\n0.481884 0.801557 0.186312 O\n0.660614 0.508407 0.166621 O\n0.641392 0.498525 0.620963 O\n0.548773 0.688595 0.759027 O\n",
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"formula_full": "Li6 Mn3 V3 P6 H6 O30",
"formula_reduced": "Li2MnVP2(HO5)2",
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},
{
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"structure_string": "Mg1 Al8 Fe3 Si8 H16 O40\n1.0\n10.212879 6.938491 0.000000\n-10.212879 6.938491 0.000000\n0.000000 0.004905 5.177627\nMg Al Fe Si H O\n1 8 3 8 16 40\ndirect\n0.124086 0.875914 0.000000 Mg\n0.461381 0.538619 0.500000 Al\n0.962325 0.037675 0.000000 Al\n0.538655 0.461345 0.000000 Al\n0.039312 0.960688 0.500000 Al\n0.440869 0.942188 0.000845 Al\n0.557340 0.057323 0.500247 Al\n0.942677 0.442660 0.499753 Al\n0.057812 0.559131 0.999155 Al\n0.374684 0.625316 0.000000 Fe\n0.874862 0.125138 0.500000 Fe\n0.625340 0.374660 0.500000 Fe\n0.572828 0.814353 0.334244 Si\n0.685754 0.926912 0.834329 Si\n0.814769 0.573946 0.833658 Si\n0.927935 0.686313 0.332963 Si\n0.426054 0.185231 0.166342 Si\n0.313687 0.072065 0.667037 Si\n0.185647 0.427172 0.665756 Si\n0.073088 0.314246 0.165671 Si\n0.597947 0.676746 0.837006 H\n0.823289 0.901979 0.337635 H\n0.676764 0.598059 0.336212 H\n0.902040 0.823137 0.834745 H\n0.401941 0.323236 0.663788 H\n0.176863 0.097960 0.165255 H\n0.323254 0.402053 0.162994 H\n0.098021 0.176711 0.662365 H\n0.209510 0.614588 0.310781 H\n0.885618 0.290359 0.811744 H\n0.614278 0.209502 0.811214 H\n0.288159 0.885396 0.306536 H\n0.790498 0.385722 0.188786 H\n0.114604 0.711841 0.693464 H\n0.385412 0.790490 0.689219 H\n0.709641 0.114382 0.188256 H\n0.409236 0.792538 0.868182 O\n0.707526 0.090124 0.366996 O\n0.792532 0.409784 0.367551 O\n0.089105 0.710150 0.871318 O\n0.590216 0.207468 0.632449 O\n0.289850 0.910895 0.128682 O\n0.207462 0.590764 0.131818 O\n0.909876 0.292474 0.633004 O\n0.503781 0.905323 0.318827 O\n0.594570 0.995589 0.819044 O\n0.905859 0.505134 0.818278 O\n0.995525 0.594231 0.318806 O\n0.494866 0.094141 0.181722 O\n0.405769 0.004475 0.681194 O\n0.094677 0.496219 0.681173 O\n0.004411 0.405430 0.180956 O\n0.534451 0.601322 0.823499 O\n0.899305 0.964668 0.323652 O\n0.601400 0.534437 0.323419 O\n0.967454 0.897264 0.823455 O\n0.465563 0.398600 0.676581 O\n0.102736 0.032546 0.176545 O\n0.398678 0.465549 0.176501 O\n0.035332 0.100695 0.676348 O\n0.657374 0.833342 0.076175 O\n0.666470 0.842682 0.575745 O\n0.835212 0.659523 0.576354 O\n0.842322 0.666689 0.076711 O\n0.340477 0.164788 0.423646 O\n0.333311 0.157678 0.923289 O\n0.166658 0.342626 0.923825 O\n0.157318 0.333530 0.424255 O\n0.480657 0.681611 0.349653 O\n0.819073 0.018243 0.849174 O\n0.681995 0.481462 0.848490 O\n0.022100 0.818776 0.340626 O\n0.518538 0.318005 0.151510 O\n0.181224 0.977900 0.659374 O\n0.318389 0.519343 0.650347 O\n0.981757 0.180927 0.150826 O\n",
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},
{
"id": "mp-1234893",
"created_at": "2022-09-04T14:42:48.445906Z",
"structure_string": "Mg1 V3 Co1 Sn2 P6 O24\n1.0\n9.221869 0.298776 0.253154\n4.321450 -7.473821 -0.035551\n4.288731 -2.554172 -6.988049\nMg V Co Sn P O\n1 3 1 2 6 24\ndirect\n0.663224 0.759431 0.166306 Mg\n0.056635 0.644602 0.632216 V\n0.461281 0.858345 0.837001 V\n0.948418 0.352604 0.354858 V\n0.555002 0.164153 0.151574 Co\n0.054975 0.972620 0.988301 Sn\n0.478132 0.411442 0.622181 Sn\n0.247581 0.251943 0.538356 P\n0.255717 0.953473 0.252103 P\n0.245082 0.542984 0.957944 P\n0.757808 0.474332 0.026575 P\n0.757485 0.029268 0.740012 P\n0.756048 0.752744 0.454555 P\n0.107845 0.126638 0.277761 O\n0.083641 0.516779 0.126030 O\n0.076553 0.296164 0.516256 O\n0.272016 0.055416 0.710898 O\n0.403445 0.253341 0.365990 O\n0.228874 0.398134 0.611342 O\n0.276516 0.945408 0.062027 O\n0.214485 0.768150 0.413708 O\n0.617715 0.676082 0.005987 O\n0.208549 0.610248 0.769320 O\n0.710412 0.331098 0.024566 O\n0.575712 0.059258 0.737010 O\n0.431887 0.943798 0.240326 O\n0.284537 0.704553 0.951676 O\n0.786706 0.426694 0.212217 O\n0.407586 0.365538 0.954205 O\n0.786281 0.224149 0.606796 O\n0.746366 0.978188 0.945479 O\n0.755662 0.608223 0.394256 O\n0.608460 0.754616 0.640178 O\n0.730140 0.943535 0.288731 O\n0.936043 0.684309 0.476127 O\n0.926454 0.503170 0.859575 O\n0.901017 0.877322 0.665684 O\n",
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"updated_at": "2021-11-28T01:35:51.066000Z",
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},
{
"id": "mp-1217856",
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"structure_string": "Tb2 Ag2 H36 C40 N12 O24\n1.0\n6.918125 -0.230203 1.534442\n1.269402 11.946905 2.136113\n0.173049 -0.122399 14.650359\nTb Ag H C N O\n2 2 36 40 12 24\ndirect\n0.164739 0.019578 0.195421 Tb\n0.835261 0.980422 0.804579 Tb\n0.263054 0.422537 0.509128 Ag\n0.736946 0.577463 0.490872 Ag\n0.135572 0.853998 0.059984 H\n0.864428 0.146002 0.940017 H\n0.128636 0.390524 0.752121 H\n0.871364 0.609476 0.247879 H\n0.820854 0.170316 0.107551 H\n0.179146 0.829684 0.892449 H\n0.844233 0.288730 0.580032 H\n0.155767 0.711270 0.419968 H\n0.584504 0.931285 0.150625 H\n0.415496 0.068715 0.849375 H\n0.709329 0.094014 0.196956 H\n0.290671 0.905986 0.803044 H\n0.145397 0.061571 0.534456 H\n0.854603 0.938429 0.465544 H\n0.553095 0.924310 0.049467 H\n0.446905 0.075690 0.950533 H\n0.176578 0.435960 0.153107 H\n0.823422 0.564040 0.846893 H\n0.308851 0.640861 0.880025 H\n0.691149 0.359139 0.119975 H\n0.308141 0.284165 0.899755 H\n0.691859 0.715835 0.100245 H\n0.413855 0.809155 0.244251 H\n0.586145 0.190845 0.755749 H\n0.570797 0.230098 0.613562 H\n0.429203 0.769902 0.386438 H\n0.893669 0.276977 0.287788 H\n0.106331 0.723023 0.712212 H\n0.645760 0.171668 0.324212 H\n0.354240 0.828332 0.675788 H\n0.241129 0.761018 0.213264 H\n0.758871 0.238982 0.786736 H\n0.629650 0.559552 0.738485 H\n0.370350 0.440448 0.261515 H\n0.935564 0.903326 0.117048 H\n0.064436 0.096674 0.882952 H\n0.314843 0.074269 0.345050 C\n0.685157 0.925731 0.654950 C\n0.289667 0.358310 0.933943 C\n0.710333 0.641690 0.066057 C\n0.241955 0.348643 0.032569 C\n0.758045 0.651357 0.967431 C\n0.262301 0.432529 0.724500 C\n0.737699 0.567471 0.275500 C\n0.216370 0.444809 0.076086 C\n0.783630 0.555191 0.923914 C\n0.240200 0.550703 0.022049 C\n0.759800 0.449297 0.977951 C\n0.386092 0.115799 0.421190 C\n0.613908 0.884201 0.578810 C\n0.290344 0.559304 0.923171 C\n0.709656 0.440696 0.076829 C\n0.213107 0.656526 0.067110 C\n0.786893 0.343474 0.932890 C\n0.915633 0.297620 0.353600 C\n0.084367 0.702380 0.646400 C\n0.280206 0.103496 0.515195 C\n0.719794 0.896504 0.484805 C\n0.516920 0.521146 0.718316 C\n0.483080 0.478854 0.281684 C\n0.313863 0.463478 0.880768 C\n0.686137 0.536522 0.119232 C\n0.562268 0.166612 0.396756 C\n0.437732 0.833388 0.603244 C\n0.889938 0.303416 0.503274 C\n0.110062 0.696584 0.496726 C\n0.627296 0.209140 0.465634 C\n0.372704 0.790860 0.534366 C\n0.220788 0.234603 0.089499 C\n0.779212 0.765397 0.910501 C\n0.349754 0.143004 0.585073 C\n0.650246 0.856996 0.414927 C\n0.520768 0.198387 0.559001 C\n0.479232 0.801613 0.440999 C\n0.248536 0.123379 0.689003 C\n0.751464 0.876621 0.310997 C\n0.350642 0.455538 0.634663 N\n0.649358 0.544462 0.365337 N\n0.060387 0.353058 0.359807 N\n0.939613 0.646941 0.640193 N\n0.512202 0.511528 0.630607 N\n0.487798 0.488472 0.369393 N\n0.362202 0.472735 0.779540 N\n0.637798 0.527265 0.220460 N\n0.802757 0.265339 0.441805 N\n0.197243 0.734661 0.558195 N\n0.043202 0.356351 0.454968 N\n0.956798 0.643649 0.545032 N\n0.136279 0.056868 0.357883 O\n0.863721 0.943132 0.642117 O\n0.247318 0.148849 0.046530 O\n0.752682 0.851151 0.953470 O\n0.100574 0.066873 0.708158 O\n0.899426 0.933127 0.291842 O\n0.271781 0.814776 0.251641 O\n0.728219 0.185224 0.748359 O\n0.835086 0.125847 0.168883 O\n0.164914 0.874153 0.831117 O\n0.316765 0.161721 0.749746 O\n0.683235 0.838279 0.250254 O\n0.434383 0.057721 0.267467 O\n0.565617 0.942279 0.732533 O\n0.193268 0.647112 0.156319 O\n0.806732 0.352888 0.843681 O\n0.174662 0.224218 0.179403 O\n0.825338 0.775782 0.820597 O\n0.213257 0.748715 0.010463 O\n0.786743 0.251285 0.989537 O\n0.070284 0.921010 0.091509 O\n0.929716 0.078990 0.908491 O\n0.501296 0.961889 0.105368 O\n0.498704 0.038111 0.894632 O\n",
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],
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}
]
}