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{
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"results": [
{
"id": "mp-557531",
"created_at": "2022-09-04T14:44:17.785255Z",
"structure_string": "Pb4 S2 O8 F4\n1.0\n2.248614 7.276067 0.000000\n-2.248614 7.276067 0.000000\n0.000000 2.702811 8.322102\nPb S O F\n4 2 8 4\ndirect\n0.649704 0.658825 0.923999 Pb\n0.350296 0.341175 0.076001 Pb\n0.341175 0.350296 0.576001 Pb\n0.658825 0.649704 0.423999 Pb\n0.048692 0.951308 0.750000 S\n0.951308 0.048692 0.250000 S\n0.223877 0.954675 0.206318 O\n0.753307 0.243883 0.390038 O\n0.756117 0.246693 0.109962 O\n0.045325 0.776123 0.293682 O\n0.776123 0.045325 0.793682 O\n0.954675 0.223877 0.706318 O\n0.243883 0.753307 0.890038 O\n0.246693 0.756117 0.609962 O\n0.775900 0.729978 0.123313 F\n0.270022 0.224100 0.376687 F\n0.224100 0.270022 0.876687 F\n0.729978 0.775900 0.623313 F\n",
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{
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"structure_string": "Mg1 Au4 Se4 Cl4 O12\n1.0\n4.566699 0.087105 -0.040911\n0.552176 9.785729 1.088530\n-0.324199 -0.581576 11.302613\nMg Au Se Cl O\n1 4 4 4 12\ndirect\n0.834792 0.640220 0.067532 Mg\n0.023792 0.485614 0.399654 Au\n0.014611 0.020228 0.994662 Au\n0.979954 0.417030 0.818459 Au\n0.027107 0.993437 0.488943 Au\n0.725047 0.897831 0.243257 Se\n0.230306 0.724179 0.884318 Se\n0.766545 0.311297 0.077318 Se\n0.263813 0.124398 0.732238 Se\n0.307471 0.486267 0.682212 Cl\n0.513706 0.523616 0.355759 Cl\n0.264434 0.192445 0.461575 Cl\n0.757034 0.805268 0.514179 Cl\n0.688413 0.003649 0.110355 O\n0.655604 0.361536 0.929418 O\n0.907795 0.755230 0.201079 O\n0.089389 0.204528 0.053816 O\n0.939944 0.445627 0.122684 O\n0.941185 0.832585 0.937157 O\n0.404954 0.674788 0.015664 O\n0.947790 0.233140 0.751160 O\n0.014026 0.980561 0.310867 O\n0.956033 0.602622 0.889025 O\n0.332326 0.041445 0.872602 O\n0.066707 0.998707 0.669403 O\n",
"nsites": 25,
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],
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"density": 4.784977538716034,
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"volume": 507.2965719779044,
"volume_molar": 12.220045454065648,
"formula_full": "Mg1 Au4 Se4 Cl4 O12",
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},
{
"id": "mp-582378",
"created_at": "2022-09-04T14:45:00.174064Z",
"structure_string": "Gd4 Mo2 Se6 O24\n1.0\n6.661753 0.000000 0.000000\n0.450568 7.204988 0.000000\n3.206326 0.724341 10.495913\nGd Mo Se O\n4 2 6 24\ndirect\n0.768063 0.861085 0.990461 Gd\n0.293999 0.320501 0.332977 Gd\n0.231937 0.138915 0.009539 Gd\n0.706001 0.679499 0.667023 Gd\n0.777989 0.608858 0.292263 Mo\n0.222011 0.391142 0.707737 Mo\n0.298930 0.840706 0.283831 Se\n0.710480 0.360372 0.007534 Se\n0.839801 0.140925 0.358541 Se\n0.701070 0.159294 0.716169 Se\n0.160199 0.859075 0.641459 Se\n0.289520 0.639628 0.992466 Se\n0.219397 0.461364 0.916170 O\n0.677180 0.332191 0.320829 O\n0.399822 0.003123 0.350338 O\n0.717259 0.669366 0.452368 O\n0.322820 0.667809 0.679171 O\n0.047339 0.527704 0.264695 O\n0.780603 0.538636 0.083830 O\n0.458343 0.310577 0.107308 O\n0.054900 0.767910 0.537246 O\n0.282741 0.330634 0.547632 O\n0.806112 0.827480 0.200703 O\n0.857107 0.163499 0.040599 O\n0.071661 0.152299 0.231793 O\n0.557090 0.370113 0.695312 O\n0.945100 0.232090 0.462754 O\n0.142893 0.836501 0.959401 O\n0.541657 0.689423 0.892692 O\n0.442910 0.629887 0.304688 O\n0.583347 0.102492 0.881369 O\n0.416653 0.897508 0.118631 O\n0.600178 0.996877 0.649662 O\n0.952661 0.472296 0.735305 O\n0.193888 0.172520 0.799297 O\n0.928339 0.847701 0.768207 O\n",
"nsites": 36,
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"elements": [
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"density": 5.533003301111026,
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"volume": 503.78126223693926,
"volume_molar": 8.427337981781447,
"formula_full": "Gd4 Mo2 Se6 O24",
"formula_reduced": "Gd2Mo(SeO4)3",
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"spacegroup": 2
},
{
"id": "mp-1100392",
"created_at": "2022-09-04T14:44:25.619441Z",
"structure_string": "Li1 Si1 B1\n1.0\n0.000000 2.504738 2.504738\n2.504738 0.000000 2.504738\n2.504738 2.504738 0.000000\nLi Si B\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Si\n0.250000 0.250000 0.250000 B\n",
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"elements": [
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],
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"density": 2.4218827333023243,
"density_atomic": 0.09545624475069783,
"volume": 31.428011942383357,
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"formula_full": "Li1 Si1 B1",
"formula_reduced": "LiSiB",
"formula_anonymous": "ABC",
"energy": -14.42988646,
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"updated_at": "2021-11-28T01:36:35.124000Z",
"spacegroup": 216
},
{
"id": "mp-22224",
"created_at": "2022-09-04T14:43:37.512793Z",
"structure_string": "Mn4 Se4 O12\n1.0\n5.208064 0.000000 0.000003\n0.000000 6.187389 0.000000\n0.000004 0.000000 8.016771\nMn Se O\n4 4 12\ndirect\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.000001 0.000000 Mn\n0.000000 0.500002 0.500000 Mn\n0.982500 0.026796 0.250000 Se\n0.482500 0.473204 0.750000 Se\n0.517500 0.526796 0.250000 Se\n0.017500 0.973203 0.750000 Se\n0.311738 0.077999 0.249997 O\n0.811738 0.422000 0.749997 O\n0.188262 0.577999 0.250003 O\n0.688262 0.922000 0.750003 O\n0.865271 0.181256 0.417000 O\n0.365263 0.318751 0.583000 O\n0.634729 0.681257 0.083000 O\n0.134737 0.818751 0.917000 O\n0.134729 0.818743 0.583000 O\n0.634737 0.681249 0.417000 O\n0.365271 0.318743 0.917000 O\n0.865263 0.181249 0.083000 O\n",
"nsites": 20,
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"elements": [
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],
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"density": 4.676808755466236,
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"volume": 258.33497727467676,
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"formula_full": "Mn4 Se4 O12",
"formula_reduced": "MnSeO3",
"formula_anonymous": "ABC3",
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},
{
"id": "mp-686310",
"created_at": "2022-09-04T14:43:24.633186Z",
"structure_string": "Ba2 Na4 Al8 Si8 O32\n1.0\n4.327392 9.824126 0.000000\n-4.327392 9.824126 0.000000\n0.000000 5.152417 8.657955\nBa Na Al Si O\n2 4 8 8 32\ndirect\n0.751699 0.246737 0.250051 Ba\n0.246737 0.751699 0.750051 Ba\n0.964206 0.537431 0.822583 Na\n0.537431 0.964206 0.322583 Na\n0.462994 0.037649 0.675188 Na\n0.037649 0.462994 0.175188 Na\n0.733548 0.084692 0.652668 Al\n0.587566 0.228560 0.028755 Al\n0.685844 0.625190 0.647957 Al\n0.625190 0.685844 0.147957 Al\n0.228560 0.587566 0.528755 Al\n0.084692 0.733548 0.152668 Al\n0.187928 0.125572 0.038626 Al\n0.125572 0.187928 0.538626 Al\n0.862421 0.821184 0.466008 Si\n0.821184 0.862421 0.966008 Si\n0.919511 0.262719 0.853248 Si\n0.762174 0.419732 0.464689 Si\n0.362516 0.323421 0.847647 Si\n0.323421 0.362516 0.347647 Si\n0.419732 0.762174 0.964689 Si\n0.262719 0.919511 0.353248 Si\n0.930516 0.873517 0.278025 O\n0.873517 0.930516 0.778025 O\n0.000353 0.239749 0.974284 O\n0.751169 0.995588 0.528832 O\n0.954576 0.359693 0.447511 O\n0.663764 0.015293 0.054667 O\n0.753145 0.254705 0.529698 O\n0.758488 0.247008 0.961288 O\n0.853143 0.458124 0.743699 O\n0.520014 0.162098 0.764292 O\n0.740590 0.500201 0.285330 O\n0.502836 0.244989 0.224049 O\n0.783495 0.721990 0.004188 O\n0.619817 0.562690 0.572024 O\n0.721990 0.783495 0.504188 O\n0.431641 0.374714 0.915494 O\n0.562690 0.619817 0.072024 O\n0.374714 0.431641 0.415494 O\n0.500201 0.740590 0.785330 O\n0.244989 0.502836 0.724049 O\n0.458124 0.853143 0.243699 O\n0.162098 0.520014 0.264292 O\n0.254705 0.753145 0.029698 O\n0.247008 0.758488 0.461288 O\n0.359693 0.954576 0.947511 O\n0.015293 0.663764 0.554667 O\n0.239749 0.000353 0.474284 O\n0.995588 0.751169 0.028832 O\n0.283925 0.224027 0.488187 O\n0.121143 0.064220 0.242766 O\n0.224027 0.283925 0.988187 O\n0.064220 0.121143 0.742766 O\n",
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{
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"created_at": "2022-09-04T14:45:00.091791Z",
"structure_string": "Na1 Sr1 Ce1 Sb1 O6\n1.0\n-0.000000 -4.209981 -4.209981\n4.209981 0.000000 -4.209981\n4.209981 -4.209981 -0.000000\nNa Sr Ce Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Sb\n0.737485 0.262515 0.262515 O\n0.262515 0.737485 0.737485 O\n0.737485 0.262515 0.737485 O\n0.262515 0.737485 0.262515 O\n0.737485 0.737485 0.262515 O\n0.262515 0.262515 0.737485 O\n",
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"volume": 149.23490146171883,
"volume_molar": 8.987135829072006,
"formula_full": "Na1 Sr1 Ce1 Sb1 O6",
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{
"id": "mp-1233612",
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{
"id": "mp-1210450",
"created_at": "2022-09-04T14:44:22.667050Z",
"structure_string": "Rb8 Ta4 Cu4 S8\n1.0\n5.630293 0.000000 0.000000\n2.815147 6.093023 0.000000\n2.815147 0.000000 24.289756\nRb Ta Cu S\n8 4 4 8\ndirect\n0.509750 0.270074 0.609495 Rb\n0.880755 0.729926 0.609495 Rb\n0.220176 0.270074 0.390505 Rb\n0.240250 0.229926 0.890505 Rb\n0.389319 0.729926 0.390505 Rb\n0.869245 0.770074 0.890505 Rb\n0.529824 0.229926 0.109495 Rb\n0.360681 0.770074 0.109495 Rb\n0.875000 0.250000 0.250000 Ta\n0.875000 0.750000 0.250000 Ta\n0.875000 0.250000 0.750000 Ta\n0.375000 0.750000 0.750000 Ta\n0.375000 0.250000 0.250000 Cu\n0.375000 0.750000 0.250000 Cu\n0.375000 0.250000 0.750000 Cu\n0.875000 0.750000 0.750000 Cu\n0.999085 0.236466 0.156178 S\n0.844737 0.763534 0.156178 S\n0.764449 0.236466 0.843822 S\n0.750915 0.263534 0.343822 S\n0.391729 0.763534 0.843822 S\n0.905263 0.736466 0.343822 S\n0.985551 0.263534 0.656178 S\n0.358271 0.736466 0.656178 S\n",
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{
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}