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{
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"results": [
{
"id": "mp-1074141",
"created_at": "2022-09-04T14:40:35.861399Z",
"structure_string": "Mg8 Si14\n1.0\n3.979462 0.000000 0.000000\n0.000000 6.723495 0.000000\n0.000000 0.591654 14.610104\nMg Si\n8 14\ndirect\n0.500000 0.936644 0.933986 Mg\n0.500000 0.658985 0.504377 Mg\n0.000000 0.832962 0.349549 Mg\n0.000000 0.464885 0.656389 Mg\n0.500000 0.451959 0.838016 Mg\n0.000000 0.463059 0.188395 Mg\n0.000000 0.349016 0.418926 Mg\n0.000000 0.966815 0.578812 Mg\n0.000000 0.618323 0.961037 Si\n0.000000 0.248937 0.964241 Si\n0.500000 0.217311 0.074170 Si\n0.500000 0.593086 0.059558 Si\n0.500000 0.273709 0.556926 Si\n0.500000 0.041380 0.436720 Si\n0.500000 0.801561 0.188937 Si\n0.000000 0.137971 0.806069 Si\n0.500000 0.757533 0.692570 Si\n0.000000 0.050088 0.182516 Si\n0.500000 0.549706 0.318243 Si\n0.000000 0.767324 0.804536 Si\n0.500000 0.119925 0.706516 Si\n0.500000 0.195149 0.283063 Si\n",
"nsites": 22,
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"density": 2.4962350377528026,
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"volume": 390.90637729292825,
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"formula_reduced": "Mg4Si7",
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"updated_at": "2021-11-28T01:35:05.609000Z",
"spacegroup": 6
},
{
"id": "mp-1074833",
"created_at": "2022-09-04T14:43:51.912118Z",
"structure_string": "Mg14 Si8\n1.0\n5.271583 0.000000 0.000000\n-0.189904 6.139177 0.000000\n-2.492454 -0.394568 13.626417\nMg Si\n14 8\ndirect\n0.939129 0.947405 0.834102 Mg\n0.139373 0.400526 0.754939 Mg\n0.608394 0.177100 0.624393 Mg\n0.589722 0.670450 0.654791 Mg\n0.025985 0.435089 0.989939 Mg\n0.832333 0.185510 0.443048 Mg\n0.271731 0.667742 0.233869 Mg\n0.787929 0.681385 0.392137 Mg\n0.499390 0.680551 0.918523 Mg\n0.493325 0.164914 0.967296 Mg\n0.029587 0.942632 0.057305 Mg\n0.401651 0.181021 0.236157 Mg\n0.310516 0.924172 0.445077 Mg\n0.329018 0.427758 0.434258 Mg\n0.564137 0.858420 0.113789 Si\n0.403299 0.990071 0.776054 Si\n0.661278 0.353354 0.806228 Si\n0.922228 0.361502 0.264841 Si\n0.650445 0.471995 0.113642 Si\n0.074837 0.952892 0.615647 Si\n0.065780 0.563037 0.572585 Si\n0.899940 0.969923 0.255090 Si\n",
"nsites": 22,
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"elements": [
"Mg",
"Si"
],
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"density": 2.12730277461992,
"density_atomic": 0.049887277291813435,
"volume": 440.99420121310624,
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"formula_full": "Mg14 Si8",
"formula_reduced": "Mg7Si4",
"formula_anonymous": "A4B7",
"energy": -64.26888637,
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"updated_at": "2021-11-28T01:36:19.819000Z",
"spacegroup": 1
},
{
"id": "mp-1250310",
"created_at": "2022-09-04T14:43:08.481395Z",
"structure_string": "Mg8 Si14\n1.0\n14.780538 -0.040988 0.165925\n0.666683 4.355787 0.000090\n0.047471 -0.007619 5.802496\nMg Si\n8 14\ndirect\n0.088494 0.484498 0.204207 Mg\n0.477191 0.297622 0.452584 Mg\n0.601064 0.740100 0.211078 Mg\n0.350729 0.858686 0.693315 Mg\n0.131937 0.466045 0.706873 Mg\n0.847642 0.110666 0.214459 Mg\n0.567120 0.751077 0.720431 Mg\n0.387829 0.841198 0.186134 Mg\n0.024263 0.019396 0.492745 Si\n0.020810 0.011570 0.918507 Si\n0.931702 0.560098 0.498314 Si\n0.932246 0.568432 0.922069 Si\n0.472217 0.297363 0.950384 Si\n0.669740 0.207960 0.919163 Si\n0.758477 0.666955 0.922793 Si\n0.194805 0.931880 0.989536 Si\n0.282537 0.392955 0.408156 Si\n0.672404 0.203351 0.486113 Si\n0.758582 0.657562 0.490915 Si\n0.194263 0.941016 0.409399 Si\n0.289051 0.387157 0.988325 Si\n0.843247 0.104380 0.718192 Si\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.611217505315022,
"density_atomic": 0.058871825004753325,
"volume": 373.69318851969877,
"volume_molar": 10.22924082872201,
"formula_full": "Mg8 Si14",
"formula_reduced": "Mg4Si7",
"formula_anonymous": "A4B7",
"energy": -83.8576762,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:07.231000Z",
"spacegroup": 1
},
{
"id": "mp-1074199",
"created_at": "2022-09-04T14:43:02.164856Z",
"structure_string": "Mg8 Si14\n1.0\n4.341298 0.000000 0.000000\n0.348939 6.925675 0.000000\n1.503330 0.540904 13.918135\nMg Si\n8 14\ndirect\n0.991595 0.971608 0.081950 Mg\n0.844806 0.675716 0.484596 Mg\n0.261975 0.827788 0.632757 Mg\n0.413155 0.497971 0.343461 Mg\n0.965138 0.509867 0.157325 Mg\n0.278691 0.089914 0.809974 Mg\n0.339372 0.353539 0.578146 Mg\n0.368126 0.995667 0.411478 Mg\n0.489041 0.683979 0.046409 Si\n0.529178 0.333771 0.040735 Si\n0.052478 0.299050 0.957940 Si\n0.135335 0.629230 0.919480 Si\n0.890959 0.302730 0.431612 Si\n0.797439 0.045868 0.547807 Si\n0.515936 0.708869 0.793493 Si\n0.455516 0.178900 0.197920 Si\n0.940322 0.805740 0.296554 Si\n0.742999 0.873039 0.914563 Si\n0.796370 0.537400 0.667514 Si\n0.462670 0.816750 0.204648 Si\n0.924594 0.162776 0.278278 Si\n0.800585 0.196159 0.699771 Si\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.3318224538094605,
"density_atomic": 0.05257265745323789,
"volume": 418.4684789725242,
"volume_molar": 11.454891290889279,
"formula_full": "Mg8 Si14",
"formula_reduced": "Mg4Si7",
"formula_anonymous": "A4B7",
"energy": -84.83182106,
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"updated_at": "2021-11-28T01:36:02.617000Z",
"spacegroup": 1
},
{
"id": "mp-1074803",
"created_at": "2022-09-04T14:42:59.572193Z",
"structure_string": "Mg14 Si8\n1.0\n5.442614 0.000000 0.000000\n0.152086 6.219227 0.000000\n1.104259 0.657766 13.113525\nMg Si\n14 8\ndirect\n0.903945 0.846900 0.193526 Mg\n0.700586 0.347523 0.239974 Mg\n0.105430 0.149114 0.377454 Mg\n0.254034 0.621949 0.356122 Mg\n0.979256 0.436514 0.004953 Mg\n0.492181 0.241611 0.537975 Mg\n0.898085 0.675421 0.772131 Mg\n0.473824 0.720071 0.593049 Mg\n0.447037 0.661654 0.081812 Mg\n0.510834 0.167583 0.030967 Mg\n0.017595 0.940151 0.957244 Mg\n0.769353 0.192740 0.768163 Mg\n0.965155 0.945649 0.573103 Mg\n0.984604 0.454739 0.565195 Mg\n0.510285 0.873283 0.885073 Si\n0.401950 0.969770 0.223422 Si\n0.209114 0.324928 0.190081 Si\n0.278945 0.380109 0.731494 Si\n0.478674 0.488055 0.880229 Si\n0.624003 0.975733 0.385551 Si\n0.736265 0.601333 0.403101 Si\n0.262435 0.992565 0.745693 Si\n",
"nsites": 22,
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"elements": [
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],
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"density": 2.11348316905945,
"density_atomic": 0.04956319437193766,
"volume": 443.87776612833187,
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"formula_full": "Mg14 Si8",
"formula_reduced": "Mg7Si4",
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"energy": -64.34136961,
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"updated_at": "2021-11-28T01:36:01.647000Z",
"spacegroup": 1
},
{
"id": "mp-1221744",
"created_at": "2022-09-04T14:46:38.848349Z",
"structure_string": "Mn7 Sb4\n1.0\n2.221235 -3.847292 0.000000\n2.221235 3.847292 0.000000\n0.000000 0.000000 10.906038\nMn Sb\n7 4\ndirect\n0.666667 0.333333 0.874232 Mn\n0.666667 0.333333 0.374525 Mn\n0.666667 0.333333 0.125768 Mn\n0.666667 0.333333 0.625475 Mn\n0.333333 0.666667 0.500000 Mn\n0.000000 0.000000 0.743526 Mn\n0.000000 0.000000 0.256474 Mn\n0.333333 0.666667 0.758971 Sb\n0.333333 0.666667 0.241029 Sb\n0.000000 0.000000 0.000000 Sb\n0.000000 0.000000 0.500000 Sb\n",
"nsites": 11,
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"elements": [
"Mn",
"Sb"
],
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"density": 7.76466647889366,
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"volume": 186.4003226264765,
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"formula_full": "Mn7 Sb4",
"formula_reduced": "Mn7Sb4",
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"energy": -79.73852503,
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"updated_at": "2021-11-28T01:37:39.137000Z",
"spacegroup": 187
},
{
"id": "mp-680671",
"created_at": "2022-09-04T14:46:20.449134Z",
"structure_string": "Mg20 Zn35\n1.0\n5.286780 -0.000278 -0.001226\n-2.643350 12.576837 -2.792581\n-0.003465 -0.012690 14.140621\nMg Zn\n20 35\ndirect\n0.874479 0.748109 0.899009 Mg\n0.031558 0.071477 0.714218 Mg\n0.302568 0.610112 0.351761 Mg\n0.440150 0.883921 0.952437 Mg\n0.480964 0.967484 0.602156 Mg\n0.787065 0.571541 0.025719 Mg\n0.357578 0.717311 0.573874 Mg\n0.556624 0.115799 0.045068 Mg\n0.822386 0.645366 0.676270 Mg\n0.518246 0.034855 0.397468 Mg\n0.692852 0.391569 0.648713 Mg\n0.176429 0.358136 0.325182 Mg\n0.004620 0.014286 0.904210 Mg\n0.835474 0.676708 0.252888 Mg\n0.159288 0.323561 0.747522 Mg\n0.643322 0.284788 0.425512 Mg\n0.123291 0.251658 0.103927 Mg\n0.214869 0.428482 0.975926 Mg\n0.967755 0.930373 0.285075 Mg\n0.990620 0.986872 0.094557 Mg\n0.920972 0.845276 0.593172 Zn\n0.517212 0.037552 0.821296 Zn\n0.261939 0.517780 0.662208 Zn\n0.822489 0.137905 0.245429 Zn\n0.342054 0.174857 0.572147 Zn\n0.682644 0.861583 0.753974 Zn\n0.498081 0.498798 0.499585 Zn\n0.080248 0.156548 0.406337 Zn\n0.688666 0.377595 0.860071 Zn\n0.166876 0.825468 0.426969 Zn\n0.522905 0.536142 0.825972 Zn\n0.330474 0.661424 0.964446 Zn\n0.830144 0.663619 0.467131 Zn\n0.404538 0.804533 0.268274 Zn\n0.478703 0.963689 0.177484 Zn\n0.309085 0.623396 0.139643 Zn\n0.129425 0.787386 0.102117 Zn\n0.830541 0.174103 0.571254 Zn\n0.318845 0.139091 0.246680 Zn\n0.164834 0.336716 0.533917 Zn\n0.868777 0.215395 0.898364 Zn\n0.656373 0.825232 0.428056 Zn\n0.999118 0.501368 0.501131 Zn\n0.350574 0.700846 0.786837 Zn\n0.013604 0.535971 0.823839 Zn\n0.653509 0.787239 0.103025 Zn\n0.650460 0.299791 0.213872 Zn\n0.344119 0.213698 0.899032 Zn\n0.596568 0.196856 0.731697 Zn\n0.982734 0.465649 0.175560 Zn\n0.178320 0.862202 0.753338 Zn\n0.999888 0.000061 0.498750 Zn\n0.471582 0.463993 0.175952 Zn\n0.666440 0.340211 0.036457 Zn\n0.737809 0.483414 0.338209 Zn\n",
"nsites": 55,
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"elements": [
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],
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"density": 4.902722008350587,
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"volume": 940.0257705164338,
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"formula_full": "Mg20 Zn35",
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"energy": -83.2602112,
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"updated_at": "2021-11-28T01:37:28.396000Z",
"spacegroup": 8
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{
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"structure_string": "Ho16 C28\n1.0\n12.536874 0.000000 0.000000\n0.000000 3.688421 0.000000\n0.000000 2.086155 13.597629\nHo C\n16 28\ndirect\n0.015526 0.699414 0.107392 Ho\n0.515526 0.300586 0.392608 Ho\n0.984474 0.300586 0.892608 Ho\n0.484474 0.699414 0.607392 Ho\n0.039744 0.876651 0.382195 Ho\n0.539744 0.123349 0.117805 Ho\n0.960256 0.123349 0.617805 Ho\n0.460256 0.876651 0.882195 Ho\n0.805093 0.133068 0.210404 Ho\n0.305093 0.866932 0.289596 Ho\n0.194907 0.866932 0.789596 Ho\n0.694907 0.133068 0.710404 Ho\n0.762744 0.736462 0.993408 Ho\n0.262744 0.263538 0.506592 Ho\n0.237256 0.263538 0.006592 Ho\n0.737256 0.736462 0.493408 Ho\n0.116682 0.792749 0.949725 C\n0.616682 0.207251 0.550275 C\n0.883318 0.207251 0.050275 C\n0.383318 0.792749 0.449725 C\n0.640735 0.834786 0.325678 C\n0.140735 0.165214 0.174322 C\n0.359265 0.165214 0.674322 C\n0.859265 0.834786 0.825678 C\n0.889996 0.244135 0.452410 C\n0.389996 0.755865 0.047590 C\n0.110004 0.755865 0.547590 C\n0.610004 0.244135 0.952410 C\n0.917284 0.590659 0.270652 C\n0.417284 0.409341 0.229348 C\n0.082716 0.409341 0.729348 C\n0.582716 0.590659 0.770652 C\n0.671550 0.624714 0.152075 C\n0.171550 0.375286 0.347925 C\n0.328450 0.375286 0.847925 C\n0.828450 0.624714 0.652075 C\n0.896116 0.414450 0.360435 C\n0.396116 0.585550 0.139565 C\n0.103884 0.585550 0.639565 C\n0.603884 0.414450 0.860435 C\n0.651535 0.697216 0.243645 C\n0.151535 0.302784 0.256355 C\n0.348465 0.302784 0.756355 C\n0.848465 0.697216 0.743645 C\n",
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"spacegroup": 14
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{
"id": "mp-21018",
"created_at": "2022-09-04T14:45:56.876887Z",
"structure_string": "V8 O14\n1.0\n6.112650 0.000000 0.000000\n0.766754 6.117637 0.000000\n0.330701 2.207283 6.042426\nV O\n8 14\ndirect\n0.586179 0.745461 0.985414 V\n0.413821 0.254539 0.014586 V\n0.357910 0.181185 0.586341 V\n0.642090 0.818815 0.413659 V\n0.134184 0.698974 0.794083 V\n0.865816 0.301026 0.205917 V\n0.879991 0.307445 0.726595 V\n0.120009 0.692555 0.273405 V\n0.328101 0.438201 0.663546 O\n0.671899 0.561799 0.336454 O\n0.925089 0.652743 0.599626 O\n0.074911 0.347257 0.400374 O\n0.386988 0.907169 0.185705 O\n0.613012 0.092831 0.814295 O\n0.897788 0.981616 0.260002 O\n0.102212 0.018384 0.739998 O\n0.316704 0.579468 0.056273 O\n0.683296 0.420532 0.943727 O\n0.553325 0.172202 0.342218 O\n0.446675 0.827798 0.657782 O\n0.919983 0.697139 0.023164 O\n0.080017 0.302861 0.976836 O\n",
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