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{
"id": "mp-1372745",
"created_at": "2022-09-04T14:46:55.628181Z",
"structure_string": "Mg4 Ta2 W2 O12\n1.0\n7.754898 0.000000 0.000000\n0.000000 5.366435 0.000000\n0.000000 0.147585 5.459261\nMg Ta W O\n4 2 2 12\ndirect\n0.750000 0.007420 0.033453 Mg\n0.750000 0.496482 0.545473 Mg\n0.250000 0.503518 0.454527 Mg\n0.250000 0.992580 0.966547 Mg\n0.000000 0.000000 0.500000 Ta\n0.500000 0.000000 0.500000 Ta\n0.000000 0.500000 0.000000 W\n0.500000 0.500000 0.000000 W\n0.430156 0.155230 0.185133 O\n0.568548 0.688843 0.335869 O\n0.569844 0.844770 0.814867 O\n0.068548 0.311157 0.664131 O\n0.250000 0.871730 0.574416 O\n0.431452 0.311157 0.664131 O\n0.931452 0.688843 0.335869 O\n0.069844 0.155230 0.185133 O\n0.750000 0.361020 0.901892 O\n0.930156 0.844770 0.814867 O\n0.250000 0.638980 0.098108 O\n0.750000 0.128270 0.425584 O\n",
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{
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"density": 4.789246830874096,
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"formula_full": "Ti12 Zn6 O24",
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{
"id": "mp-985440",
"created_at": "2022-09-04T14:46:57.972538Z",
"structure_string": "Cr1 Ga3 P4\n1.0\n5.491184 0.000000 0.000000\n0.000000 5.491184 0.000000\n0.000000 0.000000 5.491184\nCr Ga P\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.246277 0.246277 0.246277 P\n0.753723 0.753723 0.246277 P\n0.246277 0.753723 0.753723 P\n0.753723 0.246277 0.753723 P\n",
"nsites": 8,
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"formula_full": "Cr1 Ga3 P4",
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{
"id": "mp-752707",
"created_at": "2022-09-04T14:46:55.631173Z",
"structure_string": "Li8 Co4 B4 O16\n1.0\n4.788228 0.000000 0.000000\n0.000000 6.037201 0.000000\n0.000000 0.000000 10.200431\nLi Co B O\n8 4 4 16\ndirect\n0.758255 0.005080 0.658001 Li\n0.755608 0.239589 0.425569 Li\n0.755608 0.260411 0.925569 Li\n0.758255 0.494920 0.158001 Li\n0.258255 0.505080 0.841999 Li\n0.255608 0.739589 0.074431 Li\n0.255608 0.760411 0.574431 Li\n0.258255 0.994920 0.341999 Li\n0.260788 0.015095 0.836657 Co\n0.260788 0.484905 0.336657 Co\n0.760788 0.515095 0.663343 Co\n0.760788 0.984905 0.163343 Co\n0.263959 0.239113 0.091914 B\n0.263959 0.260887 0.591914 B\n0.763959 0.739113 0.408086 B\n0.763959 0.760887 0.908086 B\n0.149706 0.036961 0.157545 O\n0.169558 0.052511 0.658675 O\n0.171869 0.253124 0.451805 O\n0.573370 0.230683 0.097487 O\n0.573370 0.269317 0.597487 O\n0.171869 0.246876 0.951805 O\n0.169558 0.447489 0.158675 O\n0.149706 0.463039 0.657545 O\n0.649706 0.536961 0.342455 O\n0.669558 0.552511 0.841325 O\n0.671869 0.753124 0.048195 O\n0.073370 0.730683 0.402513 O\n0.073370 0.769317 0.902513 O\n0.671869 0.746876 0.548195 O\n0.669558 0.947489 0.341325 O\n0.649706 0.963039 0.842455 O\n",
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"volume": 294.86890680253447,
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"formula_full": "Li8 Co4 B4 O16",
"formula_reduced": "Li2CoBO4",
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"energy": -219.36131731,
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{
"id": "mp-1214759",
"created_at": "2022-09-04T14:46:55.632364Z",
"structure_string": "Ba1 In2 Cu2\n1.0\n-2.266489 2.266489 5.871015\n2.266489 -2.266489 5.871015\n2.266489 2.266489 -5.871015\nBa In Cu\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750000 0.250000 0.500000 In\n0.250000 0.750000 0.500000 In\n0.386854 0.386854 0.000000 Cu\n0.613146 0.613146 0.000000 Cu\n",
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"formula_full": "Ba1 In2 Cu2",
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{
"id": "mp-1023508",
"created_at": "2022-09-04T14:46:55.633668Z",
"structure_string": "Ca1 Mg15\n1.0\n3.269363 -5.662703 0.000000\n3.269363 5.662703 0.000000\n0.000000 0.000000 10.365627\nCa Mg\n1 15\ndirect\n0.666667 0.333333 0.000000 Ca\n0.666667 0.333333 0.500000 Mg\n0.169690 0.339380 0.000000 Mg\n0.166394 0.332788 0.500000 Mg\n0.169690 0.830310 0.000000 Mg\n0.166394 0.833606 0.500000 Mg\n0.660620 0.830310 0.000000 Mg\n0.667212 0.833606 0.500000 Mg\n0.003259 0.501629 0.255081 Mg\n0.003259 0.501629 0.744919 Mg\n0.498371 0.501629 0.255081 Mg\n0.498371 0.501629 0.744919 Mg\n0.498371 0.996741 0.255081 Mg\n0.498371 0.996741 0.744919 Mg\n0.000000 0.000000 0.247841 Mg\n0.000000 0.000000 0.752159 Mg\n",
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"formula_full": "Ca1 Mg15",
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{
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"structure_string": "La2 As2 Ru2 O2\n1.0\n4.187572 0.000000 0.000000\n0.000000 4.187572 0.000000\n0.000000 0.000000 9.115854\nLa As Ru O\n2 2 2 2\ndirect\n0.000000 0.500000 0.789837 La\n0.500000 0.000000 0.210163 La\n0.000000 0.500000 0.445185 As\n0.500000 0.000000 0.554815 As\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.000000 Ru\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n",
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"formula_full": "La2 As2 Ru2 O2",
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{
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"structure_string": "Li4 Ti8 P8 O36\n1.0\n6.410525 0.000000 0.000000\n0.000000 7.642321 0.000000\n0.000000 0.000000 14.060627\nLi Ti P O\n4 8 8 36\ndirect\n0.750000 0.952306 0.773611 Li\n0.750000 0.547694 0.273611 Li\n0.250000 0.452306 0.726389 Li\n0.250000 0.047694 0.226389 Li\n0.750000 0.353128 0.879549 Ti\n0.250000 0.646872 0.120451 Ti\n0.250000 0.853128 0.620451 Ti\n0.750000 0.146872 0.379549 Ti\n0.500000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.000000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.250000 0.358226 0.931978 P\n0.750000 0.641774 0.068022 P\n0.750000 0.858226 0.568022 P\n0.250000 0.141774 0.431978 P\n0.750000 0.377044 0.689955 P\n0.750000 0.122956 0.189955 P\n0.250000 0.877044 0.810045 P\n0.250000 0.622956 0.310045 P\n0.050313 0.608136 0.372590 O\n0.550313 0.391864 0.627410 O\n0.949687 0.108136 0.127410 O\n0.449687 0.891864 0.872590 O\n0.949687 0.391864 0.627410 O\n0.449687 0.608136 0.372590 O\n0.050313 0.891864 0.872590 O\n0.550313 0.108136 0.127410 O\n0.250000 0.329779 0.478227 O\n0.750000 0.670221 0.521773 O\n0.750000 0.829779 0.021773 O\n0.250000 0.170221 0.978227 O\n0.750000 0.133172 0.941468 O\n0.250000 0.866828 0.058532 O\n0.250000 0.633172 0.558532 O\n0.750000 0.366828 0.441468 O\n0.750000 0.207131 0.750715 O\n0.250000 0.792869 0.249285 O\n0.250000 0.707131 0.749285 O\n0.750000 0.292869 0.250715 O\n0.441112 0.125374 0.367092 O\n0.941112 0.874626 0.632908 O\n0.558888 0.625374 0.132908 O\n0.058888 0.374626 0.867092 O\n0.558888 0.874626 0.632908 O\n0.058888 0.125374 0.367092 O\n0.441112 0.374626 0.867092 O\n0.941112 0.625374 0.132908 O\n0.750000 0.505706 0.988199 O\n0.250000 0.020946 0.732181 O\n0.250000 0.479054 0.232181 O\n0.750000 0.520946 0.767819 O\n0.750000 0.994294 0.488199 O\n0.250000 0.005706 0.511801 O\n0.250000 0.494294 0.011801 O\n0.750000 0.979054 0.267819 O\n",
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{
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"structure_string": "Cs2 V1 Br5 O4\n1.0\n2.956155 9.219727 0.000000\n-2.956155 9.219727 0.000000\n0.000000 2.504266 6.798163\nCs V Br O\n2 1 5 4\ndirect\n0.296561 0.296561 0.731148 Cs\n0.703439 0.703439 0.268852 Cs\n0.000000 0.000000 0.000000 V\n0.105109 0.105109 0.162574 Br\n0.894891 0.894891 0.837426 Br\n0.329923 0.329923 0.207853 Br\n0.670077 0.670077 0.792147 Br\n0.500000 0.500000 0.500000 Br\n0.831658 0.266410 0.819411 O\n0.266410 0.831658 0.819411 O\n0.168342 0.733590 0.180589 O\n0.733590 0.168342 0.180589 O\n",
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{
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{
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],
"chemical_system": "Li-O-V",
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"formula_full": "Li4 V3 O8",
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},
{
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"formula_full": "Ba12 Li4 Si8 Cl2 O30",
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}