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{
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"results": [
{
"id": "mp-1271783",
"created_at": "2022-09-04T14:40:33.447205Z",
"structure_string": "Mn4 C4 O12\n1.0\n-0.003350 -4.832015 0.549602\n-0.732722 0.661632 6.118143\n-7.601309 0.115701 1.265118\nMn C O\n4 4 12\ndirect\n0.315236 0.249941 0.503089 Mn\n0.684771 0.750141 0.496817 Mn\n0.315163 0.249765 0.003020 Mn\n0.684874 0.750226 0.997043 Mn\n0.813248 0.249788 0.250216 C\n0.813278 0.249784 0.750198 C\n0.186714 0.750196 0.249801 C\n0.186749 0.750209 0.749793 C\n0.080491 0.249263 0.252606 O\n0.080513 0.249271 0.752603 O\n0.919476 0.750751 0.247425 O\n0.919502 0.750718 0.747446 O\n0.675316 0.116272 0.380628 O\n0.675365 0.116291 0.880633 O\n0.324611 0.883695 0.119369 O\n0.324629 0.883741 0.619357 O\n0.319409 0.616362 0.382916 O\n0.319445 0.616341 0.882927 O\n0.680605 0.383638 0.117058 O\n0.680607 0.383605 0.617053 O\n",
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},
{
"id": "mp-1101675",
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"structure_string": "Ni1 Pt1 O2\n1.0\n2.923269 -0.000019 -0.000071\n-1.461788 0.843957 6.080151\n1.461651 -2.531607 -0.000070\nNi Pt O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Pt\n0.107478 0.322402 0.107478 O\n0.892522 0.677598 0.892522 O\n",
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"spacegroup": 166
},
{
"id": "mp-762274",
"created_at": "2022-09-04T14:40:33.486371Z",
"structure_string": "Li4 Cu16 P12 O48\n1.0\n6.209552 0.000000 0.000000\n0.000000 9.640436 0.000000\n0.000000 0.000000 15.965573\nLi Cu P O\n4 16 12 48\ndirect\n0.000000 0.277201 0.469688 Li\n0.000000 0.722799 0.530312 Li\n0.500000 0.777201 0.030312 Li\n0.500000 0.222799 0.969688 Li\n0.000000 0.539972 0.095543 Cu\n0.000000 0.972356 0.151132 Cu\n0.000000 0.027644 0.848868 Cu\n0.000000 0.460028 0.904457 Cu\n0.750933 0.749081 0.303898 Cu\n0.750933 0.250919 0.696102 Cu\n0.749067 0.249081 0.196102 Cu\n0.749067 0.750919 0.803898 Cu\n0.500000 0.960028 0.595543 Cu\n0.500000 0.039972 0.404457 Cu\n0.500000 0.527644 0.651132 Cu\n0.500000 0.472356 0.348868 Cu\n0.250933 0.750919 0.803898 Cu\n0.250933 0.249081 0.196102 Cu\n0.249067 0.749081 0.303898 Cu\n0.249067 0.250919 0.696102 Cu\n0.000000 0.209324 0.028727 P\n0.000000 0.045571 0.339901 P\n0.000000 0.459821 0.284295 P\n0.000000 0.540179 0.715705 P\n0.000000 0.954429 0.660099 P\n0.000000 0.790676 0.971273 P\n0.500000 0.959821 0.215705 P\n0.500000 0.290676 0.528727 P\n0.500000 0.545571 0.160099 P\n0.500000 0.709324 0.471273 P\n0.500000 0.040179 0.784295 P\n0.500000 0.454429 0.839901 P\n0.000000 0.369182 0.013668 O\n0.000000 0.108786 0.245532 O\n0.000000 0.394312 0.190782 O\n0.000000 0.862066 0.055027 O\n0.000000 0.620667 0.274554 O\n0.000000 0.115307 0.670579 O\n0.000000 0.884693 0.329421 O\n0.000000 0.379333 0.725446 O\n0.000000 0.137934 0.944973 O\n0.000000 0.605688 0.809218 O\n0.000000 0.891214 0.754468 O\n0.000000 0.630818 0.986332 O\n0.792601 0.170283 0.078609 O\n0.792601 0.829717 0.921391 O\n0.801465 0.098992 0.386411 O\n0.801465 0.901008 0.613589 O\n0.797370 0.401301 0.325447 O\n0.797370 0.598699 0.674553 O\n0.702630 0.901301 0.174553 O\n0.702630 0.098699 0.825447 O\n0.698535 0.401008 0.886411 O\n0.698535 0.598992 0.113589 O\n0.707399 0.329717 0.578609 O\n0.707399 0.670283 0.421391 O\n0.500000 0.384693 0.170579 O\n0.500000 0.362066 0.444973 O\n0.500000 0.130818 0.513668 O\n0.500000 0.120667 0.225446 O\n0.500000 0.637934 0.555027 O\n0.500000 0.869182 0.486332 O\n0.500000 0.105688 0.690782 O\n0.500000 0.608786 0.254468 O\n0.500000 0.894312 0.309218 O\n0.500000 0.879333 0.774554 O\n0.500000 0.615307 0.829421 O\n0.500000 0.391214 0.745532 O\n0.292601 0.670283 0.421391 O\n0.292601 0.329717 0.578609 O\n0.301465 0.598992 0.113589 O\n0.301465 0.401008 0.886411 O\n0.297370 0.901301 0.174553 O\n0.297370 0.098699 0.825447 O\n0.202630 0.401301 0.325447 O\n0.202630 0.598699 0.674553 O\n0.198535 0.098992 0.386411 O\n0.198535 0.901008 0.613589 O\n0.207399 0.170283 0.078609 O\n0.207399 0.829717 0.921391 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
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"P",
"O"
],
"chemical_system": "Cu-Li-O-P",
"density": 3.7948216168689455,
"density_atomic": 0.08370444728117163,
"volume": 955.7437220900819,
"volume_molar": 7.194529031140993,
"formula_full": "Li4 Cu16 P12 O48",
"formula_reduced": "LiCu4(PO4)3",
"formula_anonymous": "AB3C4D12",
"energy": -527.97554034,
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"updated_at": "2021-11-28T01:35:02.819000Z",
"spacegroup": 58
},
{
"id": "mp-734045",
"created_at": "2022-09-04T14:40:33.461611Z",
"structure_string": "Cu8 H8 Se8 O28\n1.0\n7.637967 0.000000 0.000000\n0.000000 8.551198 0.000000\n0.000000 3.917619 9.883184\nCu H Se O\n8 8 8 28\ndirect\n0.697842 0.079116 0.473019 Cu\n0.197842 0.920884 0.026981 Cu\n0.302158 0.920884 0.526981 Cu\n0.802158 0.079116 0.973019 Cu\n0.709729 0.341887 0.110650 Cu\n0.209729 0.658113 0.389350 Cu\n0.290271 0.658113 0.889350 Cu\n0.790271 0.341887 0.610650 Cu\n0.741275 0.727711 0.574638 H\n0.241275 0.272289 0.925362 H\n0.258725 0.272289 0.425362 H\n0.758725 0.727711 0.074638 H\n0.913315 0.827031 0.603530 H\n0.413315 0.172969 0.896470 H\n0.086685 0.172969 0.396470 H\n0.586685 0.827031 0.103530 H\n0.598084 0.941053 0.785295 Se\n0.098084 0.058947 0.714705 Se\n0.401916 0.058947 0.214705 Se\n0.901916 0.941053 0.285295 Se\n0.561728 0.487365 0.329029 Se\n0.061728 0.512635 0.170971 Se\n0.438272 0.512635 0.670971 Se\n0.938272 0.487365 0.829029 Se\n0.401290 0.871046 0.871445 O\n0.901290 0.128954 0.628555 O\n0.598710 0.128954 0.128555 O\n0.098710 0.871046 0.371445 O\n0.517547 0.029125 0.619861 O\n0.017547 0.970875 0.880139 O\n0.482453 0.970875 0.380139 O\n0.982453 0.029125 0.119861 O\n0.626045 0.124287 0.823080 O\n0.126045 0.875713 0.676920 O\n0.373955 0.875713 0.176920 O\n0.873955 0.124287 0.323080 O\n0.521669 0.399201 0.210784 O\n0.021669 0.600799 0.289216 O\n0.478331 0.600799 0.789216 O\n0.978331 0.399201 0.710784 O\n0.354009 0.461101 0.402439 O\n0.854009 0.538899 0.097561 O\n0.645991 0.538899 0.597561 O\n0.145991 0.461101 0.902439 O\n0.681905 0.322609 0.447547 O\n0.181905 0.677391 0.052453 O\n0.318095 0.677391 0.552453 O\n0.818095 0.322609 0.947547 O\n0.798265 0.838582 0.559323 O\n0.298265 0.161418 0.940677 O\n0.201735 0.161418 0.440677 O\n0.701735 0.838582 0.059323 O\n",
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],
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"density": 4.105878912387824,
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"formula_full": "Cu8 H8 Se8 O28",
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"energy": -285.07958369,
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"spacegroup": 14
},
{
"id": "mp-1100934",
"created_at": "2022-09-04T14:40:33.470316Z",
"structure_string": "V2 Bi8 O17\n1.0\n6.312812 -0.503355 -0.286387\n-0.361915 5.810482 -2.062807\n-0.556689 0.812289 14.244493\nV Bi O\n2 8 17\ndirect\n0.693280 0.348560 0.502699 V\n0.677086 0.311175 0.011038 V\n0.334584 0.984001 0.328143 Bi\n0.285921 0.971683 0.822866 Bi\n0.194870 0.381507 0.605367 Bi\n0.260264 0.346079 0.172819 Bi\n0.889343 0.789128 0.435809 Bi\n0.730280 0.927040 0.158757 Bi\n0.606424 0.560609 0.815473 Bi\n0.761959 0.956307 0.673763 Bi\n0.379942 0.731664 0.896801 O\n0.410745 0.265040 0.038064 O\n0.400191 0.320737 0.484048 O\n0.489523 0.193621 0.246803 O\n0.375863 0.284639 0.722818 O\n0.450043 0.687206 0.230389 O\n0.477336 0.763144 0.715477 O\n0.668846 0.700223 0.529879 O\n0.674896 0.054157 0.419758 O\n0.773248 0.337401 0.617040 O\n0.836276 0.158882 0.068373 O\n0.662589 0.219906 0.884476 O\n0.063804 0.012846 0.565463 O\n0.046948 0.030448 0.231945 O\n0.974540 0.785956 0.743276 O\n0.939454 0.444612 0.461147 O\n0.781748 0.597429 0.049510 O\n",
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"formula_full": "V2 Bi8 O17",
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{
"id": "mp-1026707",
"created_at": "2022-09-04T14:40:33.493680Z",
"structure_string": "Mg14 Cd1 Si1\n1.0\n6.275911 -0.021455 0.000000\n-3.156536 5.467280 0.000000\n0.000000 0.000000 10.369606\nMg Cd Si\n14 1 1\ndirect\n0.167210 0.333605 0.625000 Mg\n0.168241 0.834120 0.625000 Mg\n0.668103 0.334532 0.125000 Mg\n0.666043 0.332222 0.625000 Mg\n0.668103 0.833570 0.125000 Mg\n0.666043 0.833820 0.625000 Mg\n0.331332 0.167783 0.371582 Mg\n0.331332 0.167783 0.878418 Mg\n0.331332 0.663549 0.371582 Mg\n0.331332 0.663549 0.878418 Mg\n0.836595 0.168298 0.373660 Mg\n0.836595 0.168298 0.876340 Mg\n0.833780 0.666890 0.376505 Mg\n0.833780 0.666890 0.873495 Mg\n0.165262 0.832631 0.125000 Cd\n0.164920 0.332459 0.125000 Si\n",
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"formula_full": "Mg14 Cd1 Si1",
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{
"id": "mp-18388",
"created_at": "2022-09-04T14:40:33.501830Z",
"structure_string": "Ga14 Te20\n1.0\n7.406854 -7.369137 0.000000\n7.406854 7.369137 0.000000\n0.075242 0.000000 10.447966\nGa Te\n14 20\ndirect\n0.569496 0.569496 0.569496 Ga\n0.430504 0.430504 0.430504 Ga\n0.341831 0.166460 0.743756 Ga\n0.166460 0.743756 0.341831 Ga\n0.743756 0.341831 0.166460 Ga\n0.833540 0.658169 0.256244 Ga\n0.658169 0.256244 0.833540 Ga\n0.256244 0.833540 0.658169 Ga\n0.578375 0.886407 0.846871 Ga\n0.886407 0.846871 0.578375 Ga\n0.846871 0.578375 0.886407 Ga\n0.113593 0.421625 0.153129 Ga\n0.421625 0.153129 0.113593 Ga\n0.153129 0.113593 0.421625 Ga\n0.832822 0.832822 0.832822 Te\n0.167178 0.167178 0.167178 Te\n0.000000 0.823697 0.176303 Te\n0.823697 0.176303 0.000000 Te\n0.176303 0.000000 0.823697 Te\n0.500000 0.916469 0.083531 Te\n0.916469 0.083531 0.500000 Te\n0.083531 0.500000 0.916469 Te\n0.439173 0.685289 0.762589 Te\n0.685289 0.762589 0.439173 Te\n0.762589 0.439173 0.685289 Te\n0.314711 0.560827 0.237411 Te\n0.560827 0.237411 0.314711 Te\n0.237411 0.314711 0.560827 Te\n0.573691 0.074664 0.670617 Te\n0.074664 0.670617 0.573691 Te\n0.670617 0.573691 0.074664 Te\n0.925336 0.426309 0.329383 Te\n0.426309 0.329383 0.925336 Te\n0.329383 0.925336 0.426309 Te\n",
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"formula_full": "Ga14 Te20",
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{
"id": "mp-6072",
"created_at": "2022-09-04T14:40:33.505062Z",
"structure_string": "Tm1 Mn6 Ga2 Sn4\n1.0\n5.359610 0.000000 0.000000\n-2.679805 4.641558 0.000000\n0.000000 0.000000 8.779532\nTm Mn Ga Sn\n1 6 2 4\ndirect\n0.000000 0.000000 0.000000 Tm\n0.000000 0.500000 0.764506 Mn\n0.500000 0.000000 0.235494 Mn\n0.500000 0.500000 0.235494 Mn\n0.500000 0.500000 0.764506 Mn\n0.500000 0.000000 0.764506 Mn\n0.000000 0.500000 0.235494 Mn\n0.333333 0.666667 0.000000 Ga\n0.666667 0.333333 0.000000 Ga\n0.000000 0.000000 0.668503 Sn\n0.000000 0.000000 0.331497 Sn\n0.666667 0.333333 0.500000 Sn\n0.333333 0.666667 0.500000 Sn\n",
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{
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},
{
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"structure_string": "Ca2 Rh4\n1.0\n0.000000 3.792416 3.792416\n3.792416 0.000000 3.792416\n3.792416 3.792416 0.000000\nCa Rh\n2 4\ndirect\n0.500000 0.500000 0.500000 Ca\n0.750000 0.750000 0.750000 Ca\n0.125000 0.125000 0.625000 Rh\n0.125000 0.625000 0.125000 Rh\n0.125000 0.125000 0.125000 Rh\n0.625000 0.125000 0.125000 Rh\n",
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{
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"structure_string": "Mg1 Tl4 V4 Te4 O20\n1.0\n7.235187 -0.014280 0.057542\n-0.015978 7.829064 0.169138\n0.071113 0.185075 9.179891\nMg Tl V Te O\n1 4 4 4 20\ndirect\n0.083698 0.018672 0.102372 Mg\n0.927759 0.865853 0.825282 Tl\n0.473939 0.904745 0.610039 Tl\n0.509237 0.395251 0.420933 Tl\n0.012895 0.435372 0.110206 Tl\n0.301882 0.780571 0.248136 V\n0.195499 0.295449 0.770145 V\n0.801086 0.792963 0.251185 V\n0.705936 0.283207 0.755858 V\n0.984692 0.106924 0.474160 Te\n0.011805 0.599783 0.531241 Te\n0.520519 0.599331 0.979448 Te\n0.500835 0.097799 0.039317 Te\n0.954481 0.231356 0.826598 O\n0.135426 0.021606 0.624401 O\n0.059300 0.760897 0.162974 O\n0.866085 0.552686 0.366853 O\n0.260614 0.000798 0.276131 O\n0.571786 0.784745 0.309957 O\n0.902027 0.866883 0.434454 O\n0.210521 0.494418 0.831830 O\n0.422341 0.255682 0.702645 O\n0.609345 0.360783 0.959949 O\n0.253054 0.154832 0.959681 O\n0.374986 0.548147 0.150003 O\n0.745131 0.658994 0.080255 O\n0.401970 0.858545 0.044744 O\n0.758203 0.143222 0.581084 O\n0.726196 0.487281 0.681784 O\n0.629771 0.049007 0.865222 O\n0.817549 0.001198 0.168456 O\n0.243257 0.654311 0.429590 O\n0.099603 0.361686 0.567925 O\n",
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{
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"structure_string": "Sr4 Al4 H20\n1.0\n4.508000 0.000000 0.000000\n0.000000 5.200000 0.000000\n0.000000 0.000000 12.679000\nSr Al H\n4 4 20\ndirect\n0.286000 0.146000 0.658000 Sr\n0.786000 0.354000 0.342000 Sr\n0.214000 0.854000 0.158000 Sr\n0.714000 0.646000 0.842000 Sr\n0.321000 0.133000 0.915000 Al\n0.821000 0.367000 0.085000 Al\n0.179000 0.867000 0.415000 Al\n0.679000 0.633000 0.585000 Al\n0.528000 0.391000 0.513000 H\n0.028000 0.109000 0.487000 H\n0.972000 0.609000 0.013000 H\n0.472000 0.891000 0.987000 H\n0.168000 0.913000 0.828000 H\n0.668000 0.587000 0.172000 H\n0.332000 0.087000 0.328000 H\n0.832000 0.413000 0.672000 H\n0.195000 0.390000 0.843000 H\n0.695000 0.110000 0.157000 H\n0.305000 0.610000 0.343000 H\n0.805000 0.890000 0.657000 H\n0.624000 0.136000 0.829000 H\n0.124000 0.364000 0.171000 H\n0.876000 0.864000 0.329000 H\n0.376000 0.636000 0.671000 H\n0.018000 0.134000 0.004000 H\n0.518000 0.366000 0.996000 H\n0.482000 0.866000 0.504000 H\n0.982000 0.634000 0.496000 H\n",
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]
}