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{
"id": "mp-30729",
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"structure_string": "Ho20 In40 Ni18\n1.0\n13.384592 0.000000 0.000000\n0.000000 13.384592 0.000000\n0.000000 0.000000 9.178523\nHo In Ni\n20 40 18\ndirect\n0.000000 0.500000 0.363267 Ho\n0.500000 0.000000 0.636733 Ho\n0.000000 0.500000 0.835237 Ho\n0.500000 0.000000 0.164763 Ho\n0.276710 0.500000 0.768128 Ho\n0.000000 0.223290 0.768128 Ho\n0.000000 0.776710 0.768128 Ho\n0.723290 0.500000 0.768128 Ho\n0.223290 0.000000 0.231872 Ho\n0.776710 0.000000 0.231872 Ho\n0.500000 0.276710 0.231872 Ho\n0.500000 0.723290 0.231872 Ho\n0.203395 0.703395 0.268394 Ho\n0.203395 0.296605 0.268394 Ho\n0.796605 0.703395 0.268394 Ho\n0.796605 0.296605 0.268394 Ho\n0.296605 0.203395 0.731606 Ho\n0.703395 0.796605 0.731606 Ho\n0.703395 0.203395 0.731606 Ho\n0.296605 0.796605 0.731606 Ho\n0.844908 0.844908 0.000000 In\n0.344908 0.655092 0.000000 In\n0.655092 0.344908 0.000000 In\n0.155092 0.155092 0.000000 In\n0.655092 0.655092 0.000000 In\n0.155092 0.844908 0.000000 In\n0.844908 0.155092 0.000000 In\n0.344908 0.344908 0.000000 In\n0.369766 0.369766 0.500000 In\n0.869766 0.130234 0.500000 In\n0.130234 0.869766 0.500000 In\n0.630234 0.630234 0.500000 In\n0.130234 0.130234 0.500000 In\n0.630234 0.369766 0.500000 In\n0.369766 0.630234 0.500000 In\n0.869766 0.869766 0.500000 In\n0.833439 0.500000 0.092997 In\n0.000000 0.666561 0.092997 In\n0.000000 0.333439 0.092997 In\n0.166561 0.500000 0.092997 In\n0.666561 0.000000 0.907003 In\n0.333439 0.000000 0.907003 In\n0.500000 0.833439 0.907003 In\n0.500000 0.166561 0.907003 In\n0.615981 0.500000 0.234617 In\n0.000000 0.884019 0.234617 In\n0.000000 0.115981 0.234617 In\n0.384019 0.500000 0.234617 In\n0.884019 0.000000 0.765383 In\n0.115981 0.000000 0.765383 In\n0.500000 0.615981 0.765383 In\n0.500000 0.384019 0.765383 In\n0.131932 0.631932 0.590215 In\n0.131932 0.368068 0.590215 In\n0.868068 0.631932 0.590215 In\n0.868068 0.368068 0.590215 In\n0.368068 0.131932 0.409785 In\n0.631932 0.868068 0.409785 In\n0.631932 0.131932 0.409785 In\n0.368068 0.868068 0.409785 In\n0.500000 0.500000 0.000000 Ni\n0.000000 0.000000 0.000000 Ni\n0.777278 0.500000 0.408837 Ni\n0.000000 0.722722 0.408837 Ni\n0.000000 0.277278 0.408837 Ni\n0.222722 0.500000 0.408837 Ni\n0.722722 0.000000 0.591163 Ni\n0.277278 0.000000 0.591163 Ni\n0.500000 0.777278 0.591163 Ni\n0.500000 0.222722 0.591163 Ni\n0.344782 0.844782 0.104529 Ni\n0.344782 0.155218 0.104529 Ni\n0.655218 0.844782 0.104529 Ni\n0.655218 0.155218 0.104529 Ni\n0.155218 0.344782 0.895471 Ni\n0.844782 0.655218 0.895471 Ni\n0.844782 0.344782 0.895471 Ni\n0.155218 0.655218 0.895471 Ni\n",
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"volume": 1644.307641032799,
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"formula_full": "Ho20 In40 Ni18",
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"updated_at": "2021-11-28T01:35:24.160000Z",
"spacegroup": 129
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{
"id": "mp-1667345",
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"structure_string": "Na12 Co4 As4 C4 O28\n1.0\n0.047214 6.870570 5.281831\n0.037854 -6.868501 5.280627\n9.131234 0.006086 0.096379\nNa Co As C O\n12 4 4 4 28\ndirect\n0.508323 0.259182 0.079442 Na\n0.009834 0.758826 0.078742 Na\n0.492008 0.743098 0.919440 Na\n0.992308 0.241572 0.918702 Na\n0.128485 0.124226 0.258702 Na\n0.626045 0.622863 0.258186 Na\n0.373548 0.876253 0.257762 Na\n0.873060 0.376670 0.258010 Na\n0.627944 0.123781 0.741529 Na\n0.126337 0.621845 0.741608 Na\n0.873707 0.877648 0.741622 Na\n0.372127 0.376032 0.741655 Na\n0.264758 0.518829 0.346241 Co\n0.730495 0.483928 0.653408 Co\n0.766838 0.016885 0.341346 Co\n0.233598 0.980478 0.652626 Co\n0.477831 0.226969 0.417160 As\n0.976311 0.727314 0.416664 As\n0.523213 0.772817 0.583590 As\n0.021592 0.271649 0.583536 As\n0.736475 0.986512 0.059043 C\n0.235735 0.485949 0.059792 C\n0.265716 0.015444 0.940818 C\n0.765162 0.515473 0.941088 C\n0.273827 0.023197 0.082411 O\n0.774257 0.524215 0.082549 O\n0.723469 0.973448 0.918455 O\n0.222756 0.472795 0.919008 O\n0.848391 0.098859 0.116637 O\n0.346005 0.600018 0.117203 O\n0.155397 0.904685 0.879029 O\n0.653060 0.405999 0.880155 O\n0.638137 0.887719 0.147296 O\n0.138765 0.385126 0.147559 O\n0.366894 0.117543 0.857981 O\n0.867609 0.615372 0.857272 O\n0.314456 0.064416 0.445814 O\n0.814595 0.563583 0.445567 O\n0.685288 0.935364 0.554434 O\n0.184893 0.433994 0.554296 O\n0.451580 0.701460 0.416581 O\n0.950934 0.200821 0.416185 O\n0.547291 0.296627 0.585057 O\n0.046769 0.796291 0.584383 O\n0.420543 0.366368 0.308740 O\n0.917288 0.865271 0.307368 O\n0.615533 0.167279 0.307403 O\n0.114958 0.669733 0.306474 O\n0.383338 0.829399 0.693102 O\n0.882414 0.329457 0.692439 O\n0.580354 0.634130 0.693799 O\n0.079750 0.132590 0.692087 O\n",
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"formula_full": "Na12 Co4 As4 C4 O28",
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"updated_at": "2021-11-28T01:38:21.701000Z",
"spacegroup": 1
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{
"id": "mp-754032",
"created_at": "2022-09-04T14:44:51.658481Z",
"structure_string": "Li8 Ni4 P8 O28\n1.0\n-0.000024 4.998339 -0.000225\n-8.808635 -0.001308 0.338983\n-1.363765 2.501089 12.850973\nLi Ni P O\n8 4 8 28\ndirect\n0.238243 0.436485 0.408723 Li\n0.738274 0.936576 0.408611 Li\n0.900946 0.311792 0.091703 Li\n0.401090 0.811827 0.091565 Li\n0.602546 0.184788 0.908385 Li\n0.102741 0.684873 0.908458 Li\n0.261288 0.064478 0.591641 Li\n0.761311 0.564234 0.591486 Li\n0.250086 0.750697 0.499790 Ni\n0.001926 0.998311 0.000086 Ni\n0.750302 0.250428 0.500356 Ni\n0.501553 0.498398 0.000202 Ni\n0.224000 0.390304 0.630369 P\n0.723801 0.890307 0.630039 P\n0.102840 0.358664 0.870415 P\n0.603426 0.858638 0.870160 P\n0.400218 0.137743 0.130233 P\n0.900275 0.637754 0.130196 P\n0.276735 0.110169 0.370195 P\n0.776719 0.610125 0.370137 P\n0.067829 0.374566 0.750350 O\n0.568291 0.874177 0.750128 O\n0.434068 0.122506 0.250511 O\n0.934090 0.622516 0.250453 O\n0.284760 0.492893 0.881934 O\n0.785178 0.992841 0.881706 O\n0.417305 0.256108 0.619267 O\n0.916751 0.756075 0.618323 O\n0.084345 0.244898 0.380695 O\n0.584443 0.744892 0.380589 O\n0.219834 0.003080 0.118529 O\n0.719732 0.503060 0.118527 O\n0.807538 0.368493 0.928072 O\n0.308205 0.868426 0.927820 O\n0.987929 0.380142 0.572108 O\n0.487376 0.880461 0.571920 O\n0.512729 0.120402 0.428539 O\n0.012697 0.620282 0.428423 O\n0.695375 0.128316 0.072507 O\n0.195372 0.628345 0.072491 O\n0.628597 0.453101 0.401465 O\n0.128743 0.953187 0.401401 O\n0.284216 0.294952 0.099283 O\n0.784281 0.794881 0.099212 O\n0.218817 0.201235 0.901065 O\n0.719526 0.701084 0.900819 O\n0.870022 0.047924 0.599744 O\n0.370025 0.547987 0.599761 O\n",
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"formula_full": "Li8 Ni4 P8 O28",
"formula_reduced": "Li2NiP2O7",
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{
"id": "mp-776424",
"created_at": "2022-09-04T14:48:09.964250Z",
"structure_string": "Na8 Li4 Cu4 P8 O28\n1.0\n13.592516 0.000000 0.000000\n0.000000 5.379247 0.000000\n0.000000 5.255491 8.978331\nNa Li Cu P O\n8 4 4 8 28\ndirect\n0.612609 0.576291 0.151835 Na\n0.207734 0.096161 0.147573 Na\n0.707734 0.903839 0.352427 Na\n0.112609 0.423709 0.348165 Na\n0.887391 0.576291 0.651835 Na\n0.292266 0.096161 0.647573 Na\n0.792266 0.903839 0.852427 Na\n0.387391 0.423709 0.848165 Na\n0.620378 0.258713 0.999432 Li\n0.120378 0.741287 0.500568 Li\n0.879622 0.258713 0.499432 Li\n0.379622 0.741287 0.000568 Li\n0.836304 0.567126 0.222479 Cu\n0.336304 0.432874 0.277521 Cu\n0.663696 0.567126 0.722479 Cu\n0.163696 0.432874 0.777521 Cu\n0.819046 0.232104 0.043673 P\n0.456239 0.999618 0.208056 P\n0.956239 0.000382 0.291944 P\n0.319046 0.767896 0.456327 P\n0.680954 0.232104 0.543673 P\n0.043761 0.999618 0.708056 P\n0.543761 0.000382 0.791944 P\n0.180954 0.767896 0.956327 P\n0.929694 0.149280 0.114995 O\n0.769275 0.953226 0.066764 O\n0.761048 0.343358 0.131791 O\n0.168419 0.544720 0.120245 O\n0.384606 0.254254 0.120842 O\n0.443851 0.762797 0.164972 O\n0.563114 0.095759 0.194978 O\n0.063114 0.904241 0.305022 O\n0.943851 0.237203 0.335028 O\n0.884606 0.745746 0.379158 O\n0.261048 0.656642 0.368209 O\n0.668419 0.455280 0.379755 O\n0.269275 0.046774 0.433236 O\n0.429694 0.850720 0.385005 O\n0.570306 0.149280 0.614995 O\n0.730725 0.953226 0.566764 O\n0.331581 0.544720 0.620245 O\n0.738952 0.343358 0.631791 O\n0.115394 0.254254 0.620842 O\n0.056149 0.762797 0.664972 O\n0.936886 0.095759 0.694978 O\n0.436886 0.904241 0.805022 O\n0.556149 0.237203 0.835028 O\n0.615394 0.745746 0.879158 O\n0.831581 0.455280 0.879755 O\n0.238952 0.656642 0.868209 O\n0.230725 0.046774 0.933236 O\n0.070306 0.850720 0.885005 O\n",
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{
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"structure_string": "Li4 Mn14 O24\n1.0\n9.011227 0.000000 0.000000\n0.000000 5.228864 0.000000\n0.000000 2.043171 9.797653\nLi Mn O\n4 14 24\ndirect\n0.911111 0.492668 0.269207 Li\n0.580791 0.747254 0.499012 Li\n0.411111 0.507332 0.730793 Li\n0.080791 0.252746 0.500988 Li\n0.916230 0.238705 0.014037 Mn\n0.923426 0.757303 0.503474 Mn\n0.744416 0.241310 0.511210 Mn\n0.741139 0.998264 0.262953 Mn\n0.747706 0.756826 0.993366 Mn\n0.583058 0.256255 0.989512 Mn\n0.756778 0.505403 0.742758 Mn\n0.423426 0.242697 0.496526 Mn\n0.416230 0.761295 0.985963 Mn\n0.247706 0.243174 0.006634 Mn\n0.241139 0.001736 0.737047 Mn\n0.244416 0.758690 0.488790 Mn\n0.256778 0.494597 0.257242 Mn\n0.083058 0.743745 0.010488 Mn\n0.897345 0.119590 0.399083 O\n0.884180 0.876822 0.118436 O\n0.770823 0.841330 0.622110 O\n0.917513 0.607758 0.914861 O\n0.742752 0.166276 0.878786 O\n0.895034 0.402418 0.611706 O\n0.596025 0.124792 0.398827 O\n0.770531 0.662792 0.382674 O\n0.581241 0.888324 0.085839 O\n0.762197 0.336206 0.130633 O\n0.607392 0.609295 0.876998 O\n0.581358 0.370299 0.605089 O\n0.384180 0.123178 0.881564 O\n0.397345 0.880410 0.600917 O\n0.270823 0.158670 0.377890 O\n0.395034 0.597582 0.388294 O\n0.242752 0.833724 0.121214 O\n0.417513 0.392242 0.085139 O\n0.081241 0.111676 0.914161 O\n0.270531 0.337208 0.617326 O\n0.096025 0.875208 0.601173 O\n0.262197 0.663794 0.869367 O\n0.081358 0.629701 0.394911 O\n0.107392 0.390705 0.123002 O\n",
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{
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"created_at": "2022-09-04T14:42:12.635034Z",
"structure_string": "Ba4 U4 P4 O24 F4\n1.0\n6.725674 0.000000 0.000000\n0.000000 8.378605 0.000000\n-0.454955 0.000000 11.163456\nBa U P O F\n4 4 4 24 4\ndirect\n0.838543 0.268296 0.507714 Ba\n0.161457 0.768296 0.992286 Ba\n0.161457 0.731704 0.492286 Ba\n0.838543 0.231704 0.007714 Ba\n0.392850 0.381395 0.762766 U\n0.607150 0.881395 0.737234 U\n0.607150 0.618605 0.237234 U\n0.392850 0.118605 0.262766 U\n0.907115 0.534171 0.765463 P\n0.092885 0.034171 0.734537 P\n0.092885 0.465829 0.234537 P\n0.907115 0.965829 0.265463 P\n0.848260 0.703543 0.810261 O\n0.151740 0.203543 0.689739 O\n0.151740 0.296457 0.189739 O\n0.848260 0.796457 0.310261 O\n0.091189 0.481551 0.846588 O\n0.908811 0.981551 0.653412 O\n0.908811 0.518449 0.153412 O\n0.091189 0.018449 0.346588 O\n0.736507 0.413622 0.790742 O\n0.263493 0.913622 0.709258 O\n0.263493 0.586378 0.209258 O\n0.736507 0.086378 0.290742 O\n0.952743 0.534512 0.632784 O\n0.047257 0.034512 0.867216 O\n0.047257 0.465488 0.367216 O\n0.952743 0.965488 0.132784 O\n0.385490 0.471786 0.614618 O\n0.614510 0.971786 0.885382 O\n0.614510 0.528214 0.385382 O\n0.385490 0.028214 0.114618 O\n0.421562 0.290783 0.909988 O\n0.578438 0.790783 0.590012 O\n0.578438 0.709217 0.090012 O\n0.421562 0.209217 0.409988 O\n0.440465 0.654356 0.822828 F\n0.559535 0.154356 0.677172 F\n0.559535 0.345644 0.177172 F\n0.440465 0.845644 0.322828 F\n",
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