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{
"id": "mp-1244935",
"created_at": "2022-09-04T14:41:36.281869Z",
"structure_string": "Sn30 O60\n1.0\n11.226301 -0.424126 0.136042\n-0.435761 10.938702 -0.315645\n0.139953 -0.307362 10.728060\nSn O\n30 60\ndirect\n0.761958 0.166555 0.190489 Sn\n0.567792 0.583439 0.956612 Sn\n0.905374 0.831961 0.673214 Sn\n0.555740 0.837286 0.714003 Sn\n0.013065 0.655390 0.944557 Sn\n0.796716 0.523336 0.763274 Sn\n0.477045 0.334379 0.790402 Sn\n0.448747 0.177299 0.092762 Sn\n0.074811 0.600216 0.499818 Sn\n0.407392 0.907846 0.233174 Sn\n0.904995 0.407953 0.081244 Sn\n0.210493 0.690498 0.249361 Sn\n0.304377 0.752235 0.929407 Sn\n0.616417 0.862979 0.045741 Sn\n0.551442 0.573497 0.583304 Sn\n0.253510 0.425813 0.976654 Sn\n0.045484 0.942789 0.998322 Sn\n0.125864 0.301580 0.543952 Sn\n0.907260 0.672216 0.242592 Sn\n0.654521 0.794235 0.419675 Sn\n0.018347 0.157973 0.291003 Sn\n0.291031 0.413796 0.278245 Sn\n0.986922 0.138713 0.820628 Sn\n0.617775 0.470622 0.259011 Sn\n0.265228 0.127037 0.731088 Sn\n0.247924 0.015697 0.454187 Sn\n0.813888 0.095333 0.529669 Sn\n0.522138 0.234686 0.457231 Sn\n0.696573 0.118601 0.896556 Sn\n0.824021 0.391844 0.495227 Sn\n0.025833 0.320862 0.875101 O\n0.131266 0.807908 0.899546 O\n0.470107 0.410510 0.616144 O\n0.541773 0.468524 0.098735 O\n0.912853 0.292549 0.227332 O\n0.601052 0.608031 0.389946 O\n0.227739 0.566891 0.385810 O\n0.069793 0.346471 0.002758 O\n0.504419 0.746831 0.545348 O\n0.453002 0.395397 0.343290 O\n0.291262 0.293734 0.837494 O\n0.798232 0.251250 0.018309 O\n0.551322 0.215796 0.929429 O\n0.048982 0.747664 0.607379 O\n0.252538 0.965969 0.627274 O\n0.887045 0.509404 0.928975 O\n0.384338 0.828206 0.785735 O\n0.151174 0.303887 0.345735 O\n0.058696 0.724816 0.340578 O\n0.145056 0.474785 0.602553 O\n0.297922 0.309211 0.112897 O\n0.300421 0.828031 0.364161 O\n0.932663 0.985544 0.578619 O\n0.906136 0.422042 0.661924 O\n0.789509 0.524365 0.182287 O\n0.646164 0.442507 0.844793 O\n0.836923 0.079590 0.329867 O\n0.261604 0.816342 0.117041 O\n0.928878 0.525838 0.407794 O\n0.720500 0.525312 0.589570 O\n0.414346 0.488283 0.891107 O\n0.647986 0.982806 0.489287 O\n0.021929 0.569201 0.126662 O\n0.590265 0.197602 0.214394 O\n0.446252 0.164626 0.708633 O\n0.697392 0.356406 0.361752 O\n0.700705 0.709916 0.016011 O\n0.630751 0.935436 0.862983 O\n0.470837 0.976412 0.071816 O\n0.581358 0.657492 0.765028 O\n0.146510 0.075783 0.890918 O\n0.731609 0.022595 0.059013 O\n0.815890 0.145701 0.756575 O\n0.000690 0.080871 0.112729 O\n0.956311 0.241935 0.476933 O\n0.733638 0.797850 0.610119 O\n0.188504 0.587906 0.914104 O\n0.889310 0.693134 0.799477 O\n0.106497 0.024209 0.351503 O\n0.716214 0.238172 0.553284 O\n0.931945 0.952789 0.846264 O\n0.094164 0.177217 0.676786 O\n0.279260 0.545762 0.147617 O\n0.463582 0.726197 0.014378 O\n0.273174 0.201793 0.535289 O\n0.812152 0.791837 0.333707 O\n0.382606 0.065334 0.331620 O\n0.959803 0.787307 0.078940 O\n0.578616 0.997019 0.608946 O\n0.572897 0.846100 0.251698 O\n",
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"elements": [
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],
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"volume": 1314.1750359591676,
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"formula_full": "Sn30 O60",
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"formula_anonymous": "AB2",
"energy": -545.24558169,
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"spacegroup": 1
},
{
"id": "mp-559047",
"created_at": "2022-09-04T14:40:20.903770Z",
"structure_string": "Rb10 Ce2 Cu4 N24 O48\n1.0\n10.986768 0.000000 0.000000\n0.000000 10.986768 0.000000\n0.000000 0.000000 10.986768\nRb Ce Cu N O\n10 2 4 24 48\ndirect\n0.250000 0.250000 0.750000 Rb\n0.250000 0.750000 0.250000 Rb\n0.000000 0.500000 0.500000 Rb\n0.500000 0.000000 0.000000 Rb\n0.500000 0.000000 0.500000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.500000 0.000000 Rb\n0.750000 0.250000 0.250000 Rb\n0.000000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Ce\n0.750000 0.750000 0.250000 Cu\n0.250000 0.750000 0.750000 Cu\n0.750000 0.250000 0.750000 Cu\n0.250000 0.250000 0.250000 Cu\n0.259030 0.255638 0.443417 N\n0.556583 0.740970 0.255638 N\n0.443417 0.740970 0.744362 N\n0.255638 0.556583 0.740970 N\n0.740970 0.744362 0.443417 N\n0.755638 0.056583 0.759030 N\n0.056583 0.759030 0.755638 N\n0.556583 0.259030 0.744362 N\n0.255638 0.443417 0.259030 N\n0.759030 0.244362 0.943417 N\n0.744362 0.556583 0.259030 N\n0.240970 0.244362 0.056583 N\n0.259030 0.744362 0.556583 N\n0.755638 0.943417 0.240970 N\n0.443417 0.259030 0.255638 N\n0.244362 0.943417 0.759030 N\n0.244362 0.056583 0.240970 N\n0.943417 0.759030 0.244362 N\n0.744362 0.443417 0.740970 N\n0.740970 0.255638 0.556583 N\n0.240970 0.755638 0.943417 N\n0.759030 0.755638 0.056583 N\n0.943417 0.240970 0.755638 N\n0.056583 0.240970 0.244362 N\n0.254562 0.001044 0.661105 O\n0.754562 0.501044 0.838895 O\n0.161105 0.754562 0.498956 O\n0.998956 0.338895 0.254562 O\n0.661105 0.254562 0.001044 O\n0.001466 0.853362 0.210561 O\n0.146638 0.210561 0.998534 O\n0.710561 0.498534 0.353362 O\n0.338895 0.745438 0.001044 O\n0.789439 0.001466 0.146638 O\n0.838895 0.754562 0.501044 O\n0.146638 0.789439 0.001466 O\n0.498956 0.161105 0.754562 O\n0.646638 0.710561 0.501466 O\n0.789439 0.998534 0.853362 O\n0.661105 0.745438 0.998956 O\n0.646638 0.289439 0.498534 O\n0.001044 0.661105 0.254562 O\n0.838895 0.245438 0.498956 O\n0.853362 0.789439 0.998534 O\n0.289439 0.498534 0.646638 O\n0.001044 0.338895 0.745438 O\n0.001466 0.146638 0.789439 O\n0.498956 0.838895 0.245438 O\n0.754562 0.498956 0.161105 O\n0.998534 0.146638 0.210561 O\n0.161105 0.245438 0.501044 O\n0.745438 0.001044 0.338895 O\n0.338895 0.254562 0.998956 O\n0.289439 0.501466 0.353362 O\n0.498534 0.353362 0.710561 O\n0.353362 0.710561 0.498534 O\n0.998956 0.661105 0.745438 O\n0.501466 0.646638 0.710561 O\n0.501044 0.838895 0.754562 O\n0.254562 0.998956 0.338895 O\n0.498534 0.646638 0.289439 O\n0.501044 0.161105 0.245438 O\n0.745438 0.998956 0.661105 O\n0.245438 0.498956 0.838895 O\n0.853362 0.210561 0.001466 O\n0.998534 0.853362 0.789439 O\n0.210561 0.998534 0.146638 O\n0.353362 0.289439 0.501466 O\n0.245438 0.501044 0.161105 O\n0.710561 0.501466 0.646638 O\n0.501466 0.353362 0.289439 O\n0.210561 0.001466 0.853362 O\n",
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"elements": [
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"Ce",
"Cu",
"N",
"O"
],
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"density": 3.1217698572196126,
"density_atomic": 0.06635487118359343,
"volume": 1326.2025595154562,
"volume_molar": 9.07565737462995,
"formula_full": "Rb10 Ce2 Cu4 N24 O48",
"formula_reduced": "Rb5CeCu2(NO2)12",
"formula_anonymous": "AB2C5D12E24",
"energy": -568.58846966,
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"updated_at": "2021-11-28T01:34:47.717000Z",
"spacegroup": 201
},
{
"id": "mp-767825",
"created_at": "2022-09-04T14:44:50.053398Z",
"structure_string": "Cr22 Ni50 Mo3\n1.0\n6.150318 0.000000 0.000000\n0.115990 11.547058 0.000000\n2.001559 0.209695 11.795019\nCr Ni Mo\n22 50 3\ndirect\n0.005667 0.995703 0.002480 Cr\n0.320521 0.879173 0.040157 Cr\n0.640414 0.759420 0.080720 Cr\n0.281289 0.520823 0.160522 Cr\n0.960301 0.640523 0.121246 Cr\n0.599507 0.401225 0.201573 Cr\n0.237826 0.160835 0.279511 Cr\n0.921052 0.280178 0.241821 Cr\n0.561665 0.038775 0.320523 Cr\n0.199400 0.799172 0.399106 Cr\n0.878101 0.919357 0.359433 Cr\n0.519867 0.679642 0.440054 Cr\n0.161065 0.441090 0.518432 Cr\n0.840358 0.560581 0.479673 Cr\n0.480682 0.320592 0.559181 Cr\n0.794702 0.203186 0.597530 Cr\n0.443980 0.956097 0.680122 Cr\n0.079287 0.719913 0.759788 Cr\n0.760423 0.838709 0.719274 Cr\n0.399328 0.600417 0.799805 Cr\n0.713698 0.484110 0.838482 Cr\n0.361023 0.240440 0.920593 Cr\n0.947399 0.852152 0.161538 Ni\n0.267974 0.733038 0.200468 Ni\n0.587397 0.613240 0.240949 Ni\n0.227277 0.373993 0.319237 Ni\n0.906919 0.493831 0.281671 Ni\n0.547291 0.253395 0.360548 Ni\n0.187960 0.012240 0.435907 Ni\n0.868227 0.133204 0.399282 Ni\n0.503877 0.892936 0.479564 Ni\n0.146020 0.653655 0.558938 Ni\n0.825299 0.773204 0.519223 Ni\n0.466557 0.534068 0.599550 Ni\n0.108275 0.295853 0.676741 Ni\n0.787877 0.415833 0.638777 Ni\n0.428075 0.174573 0.720627 Ni\n0.063379 0.929928 0.801719 Ni\n0.743492 0.051532 0.758330 Ni\n0.386018 0.811909 0.840189 Ni\n0.026282 0.576383 0.920681 Ni\n0.706128 0.693487 0.879599 Ni\n0.348424 0.456043 0.961127 Ni\n0.987806 0.213132 0.044688 Ni\n0.662980 0.336295 0.002635 Ni\n0.303734 0.092298 0.082411 Ni\n0.626132 0.970931 0.122804 Ni\n0.931192 0.065646 0.201884 Ni\n0.252985 0.946239 0.239651 Ni\n0.572521 0.826165 0.280984 Ni\n0.213373 0.587283 0.359194 Ni\n0.892921 0.707008 0.320086 Ni\n0.532656 0.467333 0.399846 Ni\n0.174650 0.228390 0.476217 Ni\n0.853116 0.347825 0.438997 Ni\n0.496825 0.106753 0.517645 Ni\n0.132886 0.863258 0.598806 Ni\n0.811261 0.984262 0.557293 Ni\n0.453482 0.745383 0.639826 Ni\n0.094172 0.509686 0.717926 Ni\n0.773312 0.627552 0.679055 Ni\n0.416533 0.388144 0.757982 Ni\n0.056412 0.144762 0.841277 Ni\n0.733690 0.267961 0.796769 Ni\n0.370796 0.023788 0.879181 Ni\n0.014257 0.785595 0.961077 Ni\n0.692990 0.903333 0.919992 Ni\n0.334961 0.666833 0.000216 Ni\n0.973203 0.427841 0.083787 Ni\n0.656014 0.547931 0.040169 Ni\n0.293598 0.306741 0.120747 Ni\n0.611520 0.187125 0.164237 Ni\n0.120590 0.079045 0.638584 Mo\n0.039520 0.361186 0.880574 Mo\n0.679611 0.119814 0.960774 Mo\n",
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"formula_full": "Cr22 Ni50 Mo3",
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"updated_at": "2021-11-28T01:36:41.412000Z",
"spacegroup": 1
},
{
"id": "mp-697850",
"created_at": "2022-09-04T14:43:59.281959Z",
"structure_string": "Li8 Cr4 P16 O48\n1.0\n10.159209 0.000000 0.000000\n0.000000 9.400030 0.000000\n0.000000 0.310534 9.466274\nLi Cr P O\n8 4 16 48\ndirect\n0.674566 0.605717 0.500839 Li\n0.177518 0.105254 0.995542 Li\n0.322482 0.105254 0.495542 Li\n0.825434 0.605717 0.000839 Li\n0.325434 0.394283 0.499161 Li\n0.677518 0.894746 0.504458 Li\n0.822482 0.894746 0.004458 Li\n0.174566 0.394283 0.999161 Li\n0.689620 0.252937 0.482047 Cr\n0.310380 0.747063 0.517953 Cr\n0.189620 0.747063 0.017953 Cr\n0.810380 0.252937 0.982047 Cr\n0.599675 0.732327 0.802535 P\n0.397374 0.511058 0.798215 P\n0.537610 0.238223 0.771971 P\n0.962390 0.238223 0.271971 P\n0.099675 0.267673 0.697465 P\n0.890561 0.040979 0.706373 P\n0.462390 0.761777 0.228029 P\n0.109439 0.959021 0.293627 P\n0.609439 0.040979 0.206373 P\n0.602626 0.488942 0.201785 P\n0.900325 0.732327 0.302535 P\n0.102626 0.511058 0.298215 P\n0.037610 0.761777 0.728029 P\n0.897374 0.488942 0.701785 P\n0.390561 0.959021 0.793627 P\n0.400325 0.267673 0.197465 P\n0.481177 0.832364 0.855304 O\n0.018823 0.832364 0.355304 O\n0.035176 0.419458 0.652122 O\n0.568537 0.653981 0.165680 O\n0.029725 0.754656 0.887221 O\n0.230120 0.956448 0.385549 O\n0.964824 0.580542 0.347878 O\n0.381735 0.536462 0.640717 O\n0.470275 0.754656 0.387221 O\n0.464824 0.419458 0.152122 O\n0.980518 0.907605 0.663789 O\n0.330322 0.739136 0.164906 O\n0.287004 0.547948 0.896118 O\n0.783056 0.752796 0.396035 O\n0.769880 0.043552 0.614451 O\n0.883919 0.745350 0.145734 O\n0.716944 0.752796 0.896035 O\n0.830322 0.260864 0.335094 O\n0.480518 0.092395 0.836211 O\n0.730120 0.043552 0.114451 O\n0.019482 0.092395 0.336211 O\n0.068537 0.346019 0.334320 O\n0.283056 0.247204 0.103965 O\n0.981177 0.167636 0.644696 O\n0.529725 0.245344 0.612779 O\n0.116081 0.254650 0.854266 O\n0.712996 0.452052 0.103882 O\n0.616081 0.745350 0.645734 O\n0.216944 0.247204 0.603965 O\n0.618265 0.463538 0.359283 O\n0.519482 0.907605 0.163789 O\n0.535176 0.580542 0.847878 O\n0.931463 0.653981 0.665680 O\n0.431463 0.346019 0.834320 O\n0.118265 0.536462 0.140717 O\n0.970275 0.245344 0.112779 O\n0.620798 0.047411 0.364622 O\n0.383919 0.254650 0.354266 O\n0.518823 0.167636 0.144696 O\n0.212996 0.547948 0.396118 O\n0.269880 0.956448 0.885549 O\n0.669678 0.260864 0.835094 O\n0.379202 0.952589 0.635378 O\n0.169678 0.739136 0.664906 O\n0.120798 0.952589 0.135378 O\n0.881735 0.463538 0.859283 O\n0.787004 0.452052 0.603882 O\n0.879202 0.047411 0.864622 O\n",
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"elements": [
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"P",
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],
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"density": 2.8050336255768227,
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"volume": 903.9995316579809,
"volume_molar": 7.163174245550575,
"formula_full": "Li8 Cr4 P16 O48",
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"energy": -576.66118437,
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"spacegroup": 14
},
{
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