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{
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"results": [
{
"id": "mp-1251079",
"created_at": "2022-09-04T14:44:11.464953Z",
"structure_string": "Ca4 Al2 Bi2 O10\n1.0\n5.410054 0.028586 -1.699693\n-0.642257 5.656158 -1.953306\n-0.025810 -0.167516 8.751367\nCa Al Bi O\n4 2 2 10\ndirect\n0.161920 0.630482 0.239866 Ca\n0.415991 0.884336 0.711658 Ca\n0.917218 0.324957 0.711954 Ca\n0.660459 0.109956 0.240319 Ca\n0.276822 0.307717 0.484738 Al\n0.776898 0.675218 0.484520 Al\n0.518630 0.499593 0.008122 Bi\n0.017036 0.009527 0.008367 Bi\n0.586215 0.439468 0.505989 O\n0.086724 0.564717 0.507640 O\n0.635253 0.749823 0.298405 O\n0.288483 0.225340 0.663363 O\n0.135302 0.047928 0.298517 O\n0.788024 0.935046 0.662824 O\n0.113894 0.610332 0.965866 O\n0.350141 0.295493 0.126070 O\n0.851540 0.332813 0.129192 O\n0.613082 0.857619 0.966731 O\n",
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},
{
"id": "mp-1110640",
"created_at": "2022-09-04T14:44:11.479885Z",
"structure_string": "K2 In1 As1 Br6\n1.0\n0.000000 5.677835 5.677835\n5.677835 0.000000 5.677835\n5.677835 5.677835 0.000000\nK In As Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 As\n0.763201 0.236799 0.236799 Br\n0.236799 0.236799 0.763201 Br\n0.236799 0.763201 0.763201 Br\n0.236799 0.763201 0.236799 Br\n0.763201 0.236799 0.763201 Br\n0.763201 0.763201 0.236799 Br\n",
"nsites": 10,
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"elements": [
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"As",
"Br"
],
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"density": 3.3900083281429914,
"density_atomic": 0.027316289169137437,
"volume": 366.08193514433236,
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"formula_full": "K2 In1 As1 Br6",
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"formula_anonymous": "ABC2D6",
"energy": -32.64828865,
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"updated_at": "2021-11-28T01:36:27.568000Z",
"spacegroup": 225
},
{
"id": "mp-866013",
"created_at": "2022-09-04T14:44:11.480748Z",
"structure_string": "Dy1 Tm1 Mg2\n1.0\n0.000000 3.768436 3.768436\n3.768436 0.000000 3.768436\n3.768436 3.768436 0.000000\nDy Tm Mg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Dy\n0.000000 0.000000 0.000000 Tm\n0.750000 0.750000 0.750000 Mg\n0.250000 0.250000 0.250000 Mg\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Dy-Mg-Tm",
"density": 5.896167197371799,
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"volume": 107.03194746944013,
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"formula_full": "Dy1 Tm1 Mg2",
"formula_reduced": "DyTmMg2",
"formula_anonymous": "ABC2",
"energy": -12.5498207,
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"updated_at": "2021-11-28T01:36:30.653000Z",
"spacegroup": 225
},
{
"id": "mp-1046217",
"created_at": "2022-09-04T14:44:11.502291Z",
"structure_string": "Sr2 Ca2 Ti2 P4 O16\n1.0\n5.768416 0.000000 0.000000\n-0.843829 6.797862 0.000000\n-2.550205 -3.317893 8.733206\nSr Ca Ti P O\n2 2 2 4 16\ndirect\n0.786625 0.258478 0.060129 Sr\n0.213375 0.741522 0.939871 Sr\n0.660250 0.235797 0.661792 Ca\n0.339750 0.764203 0.338208 Ca\n0.941505 0.675609 0.551597 Ti\n0.058495 0.324391 0.448403 Ti\n0.835072 0.813907 0.224380 P\n0.164928 0.186093 0.775620 P\n0.439019 0.262787 0.294277 P\n0.560981 0.737213 0.705723 P\n0.029454 0.314913 0.879677 O\n0.555506 0.716306 0.165856 O\n0.112694 0.952659 0.759981 O\n0.752253 0.591480 0.697486 O\n0.444494 0.283694 0.834144 O\n0.584670 0.851337 0.590576 O\n0.415330 0.148663 0.409424 O\n0.613235 0.882305 0.870085 O\n0.887306 0.047341 0.240019 O\n0.386765 0.117695 0.129915 O\n0.970546 0.685087 0.120323 O\n0.958442 0.801240 0.385731 O\n0.041558 0.198760 0.614269 O\n0.706549 0.405824 0.354943 O\n0.247747 0.408520 0.302514 O\n0.293451 0.594176 0.645057 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
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"Ca",
"Ti",
"P",
"O"
],
"chemical_system": "Ca-O-P-Sr-Ti",
"density": 3.5446473203575533,
"density_atomic": 0.07592253960046245,
"volume": 342.4542979834888,
"volume_molar": 7.931953793552131,
"formula_full": "Sr2 Ca2 Ti2 P4 O16",
"formula_reduced": "SrCaTi(PO4)2",
"formula_anonymous": "ABCD2E8",
"energy": -204.24554791,
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"updated_at": "2021-11-28T01:36:32.904000Z",
"spacegroup": 2
},
{
"id": "mp-1254519",
"created_at": "2022-09-04T14:44:11.530661Z",
"structure_string": "Ca5 Al11 Tl1 Si13 O48\n1.0\n12.615546 -0.029890 0.059374\n-0.028540 12.329466 -0.055643\n0.059874 -0.055719 12.164107\nCa Al Tl Si O\n5 11 1 13 48\ndirect\n0.784772 0.190642 0.198165 Ca\n0.775083 0.186069 0.813002 Ca\n0.779728 0.810192 0.182500 Ca\n0.819930 0.773532 0.800872 Ca\n0.204996 0.000174 0.005919 Ca\n0.613467 0.184708 0.007824 Al\n0.615932 0.005410 0.184144 Al\n0.622455 0.814031 0.980864 Al\n0.617544 0.993037 0.804107 Al\n0.834334 0.995571 0.359596 Al\n0.833040 0.358257 0.998602 Al\n0.824778 0.624067 0.014857 Al\n0.819456 0.012243 0.631304 Al\n0.004007 0.628352 0.189396 Al\n0.009397 0.624491 0.815798 Al\n0.994540 0.825825 0.635843 Al\n0.496623 0.749038 0.748148 Tl\n0.178885 0.998412 0.370453 Si\n0.180423 0.369895 0.999826 Si\n0.182818 0.622398 0.993074 Si\n0.177493 0.995430 0.625966 Si\n0.364329 0.186622 0.997714 Si\n0.358963 0.811225 0.993187 Si\n0.365913 0.996989 0.186847 Si\n0.356723 0.996193 0.809726 Si\n0.008489 0.184138 0.368655 Si\n0.005763 0.185303 0.628237 Si\n0.006764 0.363661 0.185081 Si\n0.008640 0.363928 0.811822 Si\n0.005708 0.817013 0.364162 Si\n0.992373 0.214265 0.498063 O\n0.996000 0.488765 0.211447 O\n0.028896 0.294733 0.698229 O\n0.025318 0.700423 0.310531 O\n0.990173 0.818425 0.494271 O\n0.972329 0.707076 0.707257 O\n0.116273 0.112355 0.352065 O\n0.108334 0.106172 0.642074 O\n0.111543 0.335621 0.108176 O\n0.106978 0.655061 0.094178 O\n0.113156 0.342915 0.889693 O\n0.136100 0.643130 0.872721 O\n0.115408 0.891314 0.669486 O\n0.108087 0.897145 0.329660 O\n0.224643 0.494067 0.004145 O\n0.219594 0.989123 0.497074 O\n0.278788 0.282157 0.998891 O\n0.284548 0.009161 0.703266 O\n0.291926 0.701826 0.001267 O\n0.280667 0.002229 0.285315 O\n0.334163 0.101844 0.103432 O\n0.326404 0.099186 0.895937 O\n0.327396 0.895168 0.099441 O\n0.310549 0.892826 0.890967 O\n0.483458 0.986225 0.227309 O\n0.482234 0.228490 0.989085 O\n0.478237 0.976954 0.778563 O\n0.482126 0.788840 0.970722 O\n0.624957 0.140503 0.142663 O\n0.639943 0.088894 0.905938 O\n0.644865 0.900802 0.091171 O\n0.650525 0.857025 0.841868 O\n0.702872 0.044440 0.705018 O\n0.728510 0.263593 0.991934 O\n0.715274 0.714211 0.001917 O\n0.730006 0.999405 0.265152 O\n0.795051 0.488834 0.006320 O\n0.801858 0.003445 0.493578 O\n0.895925 0.131481 0.675345 O\n0.879131 0.671310 0.140700 O\n0.909560 0.667925 0.909192 O\n0.884253 0.901766 0.690439 O\n0.905864 0.117721 0.318647 O\n0.901691 0.311648 0.120818 O\n0.904106 0.311456 0.876758 O\n0.900848 0.877543 0.307914 O\n0.018908 0.294814 0.299000 O\n0.991959 0.487643 0.783472 O\n",
"nsites": 78,
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"elements": [
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"Al",
"Tl",
"Si",
"O"
],
"chemical_system": "Al-Ca-O-Si-Tl",
"density": 1.6102519768285872,
"density_atomic": 0.041227350801603994,
"volume": 1891.947905538605,
"volume_molar": 14.6071494842829,
"formula_full": "Ca5 Al11 Tl1 Si13 O48",
"formula_reduced": "Ca5Al11TlSi13O48",
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"energy": -612.46093868,
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"updated_at": "2021-11-28T01:36:33.777000Z",
"spacegroup": 1
},
{
"id": "mp-1210886",
"created_at": "2022-09-04T14:44:11.580300Z",
"structure_string": "Na8 Zr4 Si12 O40\n1.0\n7.160614 0.000000 0.000000\n0.000000 10.294155 0.000000\n0.000000 0.000000 13.403241\nNa Zr Si O\n8 4 12 40\ndirect\n0.250260 0.415136 0.089295 Na\n0.249740 0.584864 0.589295 Na\n0.749740 0.915136 0.410705 Na\n0.750260 0.084864 0.910705 Na\n0.185858 0.264427 0.352648 Na\n0.314142 0.735573 0.852648 Na\n0.814142 0.764427 0.147352 Na\n0.685858 0.235573 0.647352 Na\n0.262628 0.042767 0.796585 Zr\n0.237372 0.957233 0.296585 Zr\n0.737372 0.542767 0.703415 Zr\n0.762628 0.457233 0.203415 Zr\n0.069653 0.651964 0.333660 Si\n0.430347 0.348036 0.833660 Si\n0.930347 0.151964 0.166340 Si\n0.569653 0.848036 0.666340 Si\n0.233341 0.024698 0.053206 Si\n0.266659 0.975302 0.553206 Si\n0.766659 0.524698 0.446794 Si\n0.733341 0.475302 0.946794 Si\n0.506803 0.184139 0.169979 Si\n0.993197 0.815861 0.669979 Si\n0.493197 0.684139 0.330021 Si\n0.006803 0.315861 0.830021 Si\n0.246287 0.079680 0.643403 O\n0.253713 0.920320 0.143403 O\n0.753713 0.579680 0.856597 O\n0.746287 0.420320 0.356597 O\n0.037492 0.809010 0.325166 O\n0.462508 0.190990 0.825166 O\n0.962508 0.309010 0.174834 O\n0.537492 0.690990 0.674834 O\n0.406304 0.125657 0.269222 O\n0.093696 0.874343 0.769222 O\n0.593696 0.625657 0.230778 O\n0.906304 0.374343 0.730778 O\n0.378473 0.149209 0.071256 O\n0.121527 0.850791 0.571256 O\n0.621527 0.649209 0.428744 O\n0.878473 0.350791 0.928744 O\n0.021463 0.091043 0.062355 O\n0.478537 0.908957 0.562355 O\n0.978537 0.591043 0.437645 O\n0.521463 0.408957 0.937645 O\n0.005501 0.275480 0.582733 O\n0.494499 0.724520 0.082733 O\n0.994499 0.775480 0.917267 O\n0.505501 0.224520 0.417267 O\n0.231704 0.032484 0.442733 O\n0.268296 0.967516 0.942733 O\n0.768296 0.532484 0.057267 O\n0.731704 0.467516 0.557267 O\n0.527030 0.340980 0.175125 O\n0.972970 0.659020 0.675125 O\n0.472970 0.840980 0.324875 O\n0.027030 0.159020 0.824875 O\n0.709376 0.113687 0.151056 O\n0.790624 0.886313 0.651056 O\n0.290624 0.613687 0.348944 O\n0.209376 0.386313 0.848944 O\n0.010122 0.082305 0.266253 O\n0.489878 0.917695 0.766253 O\n0.989878 0.582305 0.233747 O\n0.510122 0.417695 0.733747 O\n",
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"formula_full": "Na8 Zr4 Si12 O40",
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"spacegroup": 19
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{
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"created_at": "2022-09-04T14:44:11.624197Z",
"structure_string": "Cu4 N32\n1.0\n6.738139 0.000000 0.000000\n0.000000 7.628121 0.000000\n0.000000 0.000000 12.360767\nCu N\n4 32\ndirect\n0.729884 0.250000 0.138859 Cu\n0.229884 0.250000 0.361141 Cu\n0.270116 0.750000 0.861141 Cu\n0.770116 0.750000 0.638859 Cu\n0.844950 0.250000 0.280525 N\n0.344950 0.250000 0.219475 N\n0.155050 0.750000 0.719475 N\n0.655050 0.750000 0.780525 N\n0.726852 0.250000 0.354943 N\n0.226852 0.250000 0.145057 N\n0.273148 0.750000 0.645057 N\n0.773148 0.750000 0.854943 N\n0.621136 0.250000 0.429026 N\n0.121136 0.250000 0.070974 N\n0.378864 0.750000 0.570974 N\n0.878864 0.750000 0.929026 N\n0.627078 0.250000 0.997801 N\n0.127078 0.250000 0.502199 N\n0.372922 0.750000 0.002199 N\n0.872922 0.750000 0.497801 N\n0.742796 0.250000 0.921868 N\n0.242796 0.250000 0.578132 N\n0.257204 0.750000 0.078132 N\n0.757204 0.750000 0.421868 N\n0.839174 0.250000 0.844079 N\n0.339174 0.250000 0.655921 N\n0.160826 0.750000 0.155921 N\n0.660826 0.750000 0.344079 N\n0.730425 0.499234 0.138513 N\n0.230425 0.000766 0.361487 N\n0.269575 0.999234 0.861487 N\n0.769575 0.500766 0.638513 N\n0.269575 0.500766 0.861487 N\n0.769575 0.999234 0.638513 N\n0.730425 0.000766 0.138513 N\n0.230425 0.499234 0.361487 N\n",
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{
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"structure_string": "Ba1 Ag2 S2\n1.0\n2.212560 -3.832266 0.000000\n2.212560 3.832266 0.000000\n0.000000 0.000000 7.280965\nBa Ag S\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.374715 Ag\n0.333333 0.666667 0.625285 Ag\n0.666667 0.333333 0.743559 S\n0.333333 0.666667 0.256441 S\n",
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},
{
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],
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"formula_full": "K8 Yb4 Ge16 O44",
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"spacegroup": 11
},
{
"id": "mp-1077404",
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"structure_string": "Yb2 Si4\n1.0\n-2.108656 2.108656 6.777416\n2.108656 -2.108656 6.777416\n2.108656 2.108656 -6.777416\nYb Si\n2 4\ndirect\n0.250000 0.750000 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n0.084168 0.084168 0.000000 Si\n0.834168 0.334168 0.500000 Si\n0.665832 0.165832 0.500000 Si\n0.915832 0.915832 0.000000 Si\n",
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},
{
"id": "mp-1216500",
"created_at": "2022-09-04T14:44:11.491287Z",
"structure_string": "Zr2 Mn12 Ga1 Sn11\n1.0\n-2.680279 -4.656039 0.000000\n-5.374460 0.008025 0.000000\n0.000000 0.000000 -17.858234\nZr Mn Ga Sn\n2 12 1 11\ndirect\n0.999829 0.000189 0.250000 Zr\n0.999898 0.000055 0.750000 Zr\n0.503944 0.992074 0.129760 Mn\n0.499882 0.000008 0.625491 Mn\n0.992030 0.503823 0.129756 Mn\n0.000019 0.500071 0.625474 Mn\n0.504010 0.503831 0.129768 Mn\n0.499900 0.500226 0.625489 Mn\n0.503944 0.992074 0.370240 Mn\n0.499882 0.000008 0.874509 Mn\n0.992030 0.503823 0.370244 Mn\n0.000019 0.500071 0.874526 Mn\n0.504010 0.503831 0.370232 Mn\n0.499900 0.500226 0.874511 Mn\n0.666503 0.666392 0.250000 Ga\n0.000089 0.999931 0.086314 Sn\n0.000190 0.999843 0.584783 Sn\n0.000089 0.999931 0.413686 Sn\n0.000190 0.999843 0.915217 Sn\n0.666449 0.666693 0.001455 Sn\n0.666449 0.666693 0.498545 Sn\n0.333475 0.333340 0.002948 Sn\n0.333475 0.333340 0.497052 Sn\n0.666244 0.667059 0.750000 Sn\n0.333419 0.333662 0.250000 Sn\n0.333735 0.332964 0.750000 Sn\n",
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{
"id": "mp-1030883",
"created_at": "2022-09-04T14:44:11.494621Z",
"structure_string": "Mg6 Cr1 Si1 O8\n1.0\n8.568124 -0.000000 0.000000\n-0.000000 4.372726 0.000000\n0.000000 0.000000 4.372726\nMg Cr Si O\n6 1 1 8\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.253248 0.000000 0.500000 Mg\n0.746752 -0.000000 0.500000 Mg\n0.253248 0.500000 0.000000 Mg\n0.746752 0.500000 -0.000000 Mg\n0.500000 -0.000000 -0.000000 Cr\n0.000000 -0.000000 -0.000000 Si\n0.256248 -0.000000 -0.000000 O\n0.743752 0.000000 0.000000 O\n0.248712 0.500000 0.500000 O\n0.751288 0.500000 0.500000 O\n0.000000 -0.000000 0.500000 O\n0.500000 -0.000000 0.500000 O\n0.000000 0.500000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n",
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}
]
}