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{
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{
"id": "mp-772542",
"created_at": "2022-09-04T14:41:51.855510Z",
"structure_string": "Li8 V4 Si4 C4 O28\n1.0\n-0.000021 6.328846 0.000001\n0.424640 0.000000 10.213896\n8.536886 -0.000029 0.149684\nLi V Si C O\n8 4 4 4 28\ndirect\n0.510377 0.119594 0.222706 Li\n0.510374 0.619629 0.222689 Li\n0.989619 0.119592 0.222702 Li\n0.989626 0.619628 0.222688 Li\n0.489626 0.380367 0.777312 Li\n0.489618 0.880407 0.777299 Li\n0.010375 0.380369 0.777315 Li\n0.010382 0.880405 0.777297 Li\n0.749998 0.902092 0.342344 V\n0.250007 0.097894 0.657650 V\n0.749998 0.402131 0.342420 V\n0.250000 0.597865 0.657565 V\n0.249995 0.352270 0.425904 Si\n0.250000 0.852300 0.425832 Si\n0.749999 0.147699 0.574166 Si\n0.749999 0.647731 0.574092 Si\n0.750003 0.365839 0.054055 C\n0.750000 0.865943 0.054047 C\n0.250002 0.134062 0.945956 C\n0.250002 0.634163 0.945959 C\n0.249998 0.148541 0.091786 O\n0.249999 0.648629 0.091677 O\n0.750003 0.351371 0.908324 O\n0.750001 0.851463 0.908214 O\n0.749997 0.481649 0.114543 O\n0.749997 0.981702 0.114489 O\n0.250001 0.018302 0.885514 O\n0.250001 0.518351 0.885462 O\n0.750002 0.266651 0.160821 O\n0.750003 0.766726 0.160747 O\n0.250008 0.233278 0.839251 O\n0.250003 0.733351 0.839185 O\n0.750000 0.083160 0.402463 O\n0.749996 0.583135 0.402424 O\n0.250001 0.416863 0.597571 O\n0.250002 0.916838 0.597536 O\n0.250002 0.191737 0.451476 O\n0.249995 0.691805 0.451372 O\n0.749997 0.308194 0.548630 O\n0.750005 0.808262 0.548522 O\n0.042433 0.402696 0.324644 O\n0.042425 0.902743 0.324573 O\n0.457549 0.402689 0.324639 O\n0.457580 0.902738 0.324575 O\n0.542423 0.097256 0.675426 O\n0.542444 0.597314 0.675357 O\n0.957579 0.097264 0.675422 O\n0.957556 0.597310 0.675360 O\n",
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"formula_full": "Li8 V4 Si4 C4 O28",
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},
{
"id": "mp-773176",
"created_at": "2022-09-04T14:41:09.402627Z",
"structure_string": "Li8 Cr4 As4 C4 O28\n1.0\n0.237250 6.586154 5.138667\n0.236866 -6.585720 5.138136\n8.624364 0.000259 0.195749\nLi Cr As C O\n8 4 4 4 28\ndirect\n0.360967 0.853711 0.213651 Li\n0.860947 0.353676 0.213633 Li\n0.603567 0.610888 0.213614 Li\n0.103640 0.110969 0.213549 Li\n0.639011 0.146307 0.786371 Li\n0.139064 0.646351 0.786336 Li\n0.396409 0.389048 0.786482 Li\n0.896440 0.889063 0.786451 Li\n0.271313 0.521311 0.334885 Cr\n0.728694 0.478626 0.665184 Cr\n0.771279 0.021266 0.334848 Cr\n0.228794 0.978783 0.664993 Cr\n0.485765 0.235633 0.419964 As\n0.985719 0.735605 0.419987 As\n0.514317 0.764309 0.580030 As\n0.014309 0.264381 0.580035 As\n0.738768 0.988736 0.054643 C\n0.238723 0.488705 0.054641 C\n0.261211 0.011298 0.945281 C\n0.761232 0.511282 0.945397 C\n0.275746 0.025802 0.089418 O\n0.775750 0.525816 0.089505 O\n0.724186 0.974218 0.910560 O\n0.224202 0.474213 0.910570 O\n0.854114 0.104039 0.113214 O\n0.354062 0.604014 0.113243 O\n0.145914 0.896026 0.886624 O\n0.645906 0.395951 0.886819 O\n0.640745 0.890684 0.162181 O\n0.140651 0.390657 0.162130 O\n0.359283 0.109385 0.837768 O\n0.859277 0.609315 0.837879 O\n0.455627 0.705679 0.397242 O\n0.955717 0.205770 0.397202 O\n0.544340 0.294280 0.602800 O\n0.044327 0.794292 0.602819 O\n0.318147 0.067994 0.449665 O\n0.818119 0.567934 0.449809 O\n0.681869 0.932024 0.550238 O\n0.181838 0.432131 0.550296 O\n0.439595 0.391621 0.310591 O\n0.939618 0.891615 0.310567 O\n0.641720 0.189600 0.310459 O\n0.141678 0.689569 0.310523 O\n0.358319 0.810415 0.689491 O\n0.858297 0.310345 0.689530 O\n0.560381 0.608301 0.689469 O\n0.060404 0.108359 0.689418 O\n",
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"formula_full": "Li8 Cr4 As4 C4 O28",
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"updated_at": "2021-11-28T01:35:14.661000Z",
"spacegroup": 11
},
{
"id": "mp-1045731",
"created_at": "2022-09-04T14:41:05.710624Z",
"structure_string": "Ca8 Sb8 As16 Se8 O56\n1.0\n9.998431 -0.001856 4.686597\n4.997447 12.059306 2.342303\n-0.121683 -0.001080 13.259429\nCa Sb As Se O\n8 8 16 8 56\ndirect\n0.179137 0.413753 0.289605 Ca\n0.092862 0.289671 0.086213 Ca\n0.531203 0.789629 0.586214 Ca\n0.907138 0.710329 0.913787 Ca\n0.820863 0.586247 0.710395 Ca\n0.117382 0.913814 0.789651 Ca\n0.468797 0.210371 0.413786 Ca\n0.882618 0.086186 0.210349 Ca\n0.298775 0.612765 0.734011 Sb\n0.645585 0.887218 0.765976 Sb\n0.701225 0.387235 0.265989 Sb\n0.967225 0.234066 0.387205 Sb\n0.354415 0.112782 0.234024 Sb\n0.032775 0.765934 0.612795 Sb\n0.588575 0.265924 0.112662 Sb\n0.411425 0.734076 0.887338 Sb\n0.628791 0.431397 0.837210 As\n0.898439 0.582740 0.216058 As\n0.302779 0.082722 0.716089 As\n0.466201 0.662569 0.431325 As\n0.114565 0.283881 0.582636 As\n0.897583 0.068522 0.662616 As\n0.439771 0.162689 0.931362 As\n0.885435 0.716119 0.417364 As\n0.560229 0.837311 0.068638 As\n0.102417 0.931478 0.337384 As\n0.101561 0.417260 0.783942 As\n0.981126 0.216037 0.917282 As\n0.371209 0.568603 0.162790 As\n0.697221 0.917278 0.283911 As\n0.018874 0.783963 0.082718 As\n0.533799 0.337431 0.568675 As\n0.755221 0.485428 0.486554 Se\n0.727286 0.014734 0.013397 Se\n0.758087 0.986551 0.514564 Se\n0.740647 0.486602 0.014773 Se\n0.241913 0.013449 0.485436 Se\n0.244779 0.514572 0.513446 Se\n0.259353 0.513398 0.985227 Se\n0.272714 0.985266 0.986603 Se\n0.974683 0.848978 0.968831 O\n0.107816 0.112322 0.803579 O\n0.651296 0.900540 0.607396 O\n0.120059 0.983149 0.205848 O\n0.051913 0.607431 0.599351 O\n0.741363 0.107396 0.099555 O\n0.421747 0.514593 0.864768 O\n0.691069 0.483260 0.705812 O\n0.107700 0.740984 0.733395 O\n0.325631 0.294181 0.983207 O\n0.651346 0.266609 0.240982 O\n0.396903 0.794135 0.483026 O\n0.892184 0.887678 0.196421 O\n0.258637 0.892604 0.900445 O\n0.943537 0.531126 0.848979 O\n0.078859 0.964576 0.597397 O\n0.976262 0.612445 0.303641 O\n0.198755 0.014655 0.364893 O\n0.056463 0.468874 0.151021 O\n0.025317 0.151022 0.031169 O\n0.563714 0.135145 0.014552 O\n0.023738 0.387555 0.696359 O\n0.879941 0.016851 0.794152 O\n0.207540 0.349012 0.468779 O\n0.359105 0.464784 0.097475 O\n0.348654 0.733391 0.759018 O\n0.582011 0.758956 0.766663 O\n0.543403 0.597388 0.535396 O\n0.158959 0.233401 0.258928 O\n0.911405 0.696411 0.112332 O\n0.892300 0.259016 0.266605 O\n0.436286 0.864855 0.985448 O\n0.456597 0.402612 0.464604 O\n0.720168 0.803576 0.387621 O\n0.603097 0.205865 0.516974 O\n0.713378 0.364827 0.485461 O\n0.348704 0.099460 0.392604 O\n0.323858 0.097450 0.035309 O\n0.676142 0.902550 0.964691 O\n0.840826 0.400496 0.107425 O\n0.578253 0.485407 0.135232 O\n0.159174 0.599504 0.892575 O\n0.841041 0.766599 0.741072 O\n0.286622 0.635173 0.514539 O\n0.921141 0.035424 0.402603 O\n0.792460 0.650988 0.531221 O\n0.640895 0.535216 0.902525 O\n0.279832 0.196424 0.612379 O\n0.308931 0.516740 0.294188 O\n0.801245 0.985345 0.635107 O\n0.323733 0.968817 0.650958 O\n0.676267 0.031183 0.349042 O\n0.948087 0.392569 0.400649 O\n0.088595 0.303589 0.887668 O\n0.417989 0.241044 0.233337 O\n0.674369 0.705819 0.016793 O\n",
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],
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"density_atomic": 0.059785336353060256,
"volume": 1605.7449176680263,
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"formula_full": "Ca8 Sb8 As16 Se8 O56",
"formula_reduced": "CaSbAs2SeO7",
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"updated_at": "2021-11-28T01:34:58.490000Z",
"spacegroup": 88
},
{
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"created_at": "2022-09-04T14:41:05.375403Z",
"structure_string": "La1 Nb2 Cu1 Cl1 O7\n1.0\n3.922234 0.000000 0.000000\n0.000000 3.922234 0.000000\n0.000000 0.000000 11.843138\nLa Nb Cu Cl O\n1 2 1 1 7\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.806676 Nb\n0.500000 0.500000 0.193324 Nb\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.500000 Cl\n0.000000 0.500000 0.156004 O\n0.500000 0.500000 0.654400 O\n0.000000 0.500000 0.843996 O\n0.500000 0.500000 0.345600 O\n0.500000 0.000000 0.156004 O\n0.500000 0.000000 0.843996 O\n0.500000 0.500000 0.000000 O\n",
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],
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"formula_full": "La1 Nb2 Cu1 Cl1 O7",
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{
"id": "mp-769506",
"created_at": "2022-09-04T14:41:01.591523Z",
"structure_string": "Na8 Fe4 P4 C4 O28\n1.0\n8.342848 0.000000 0.000000\n-1.809866 8.157970 0.000000\n-3.213184 -3.998716 8.992448\nNa Fe P C O\n8 4 4 4 28\ndirect\n0.460692 0.705879 0.927641 Na\n0.945769 0.199801 0.913230 Na\n0.727584 0.747599 0.731877 Na\n0.999510 0.481763 0.732751 Na\n0.000490 0.518237 0.267249 Na\n0.272416 0.252401 0.268123 Na\n0.539308 0.294121 0.072359 Na\n0.054231 0.800199 0.086770 Na\n0.549421 0.299517 0.656917 Fe\n0.071137 0.821610 0.653800 Fe\n0.928863 0.178390 0.346200 Fe\n0.450579 0.700483 0.343083 Fe\n0.308258 0.557031 0.573723 P\n0.809057 0.060714 0.577994 P\n0.691742 0.442969 0.426277 P\n0.190943 0.939286 0.422006 P\n0.736205 0.481817 0.935985 C\n0.220972 0.975275 0.934591 C\n0.779028 0.024725 0.065409 C\n0.263795 0.518183 0.064015 C\n0.702300 0.937409 0.925581 O\n0.176059 0.441226 0.923462 O\n0.589691 0.340372 0.873562 O\n0.078094 0.827491 0.870253 O\n0.785567 0.537444 0.844238 O\n0.276503 0.024498 0.843196 O\n0.915331 0.978292 0.675692 O\n0.225748 0.663527 0.671273 O\n0.430737 0.490748 0.676089 O\n0.742371 0.183364 0.679497 O\n0.843215 0.598316 0.570274 O\n0.342375 0.086134 0.566325 O\n0.936262 0.183606 0.536936 O\n0.426789 0.678036 0.526166 O\n0.063738 0.816394 0.463064 O\n0.573211 0.321964 0.473834 O\n0.657625 0.913866 0.433675 O\n0.156785 0.401684 0.429726 O\n0.257629 0.816636 0.320503 O\n0.569263 0.509252 0.323911 O\n0.774252 0.336473 0.328727 O\n0.084669 0.021708 0.324308 O\n0.723497 0.975502 0.156804 O\n0.214433 0.462556 0.155762 O\n0.921906 0.172509 0.129747 O\n0.410309 0.659628 0.126438 O\n0.823941 0.558774 0.076538 O\n0.297700 0.062591 0.074419 O\n",
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{
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"structure_string": "Na4 Co2 P2 C2 O14\n1.0\n6.441637 0.000000 0.000000\n0.000000 5.267138 0.000000\n0.000000 0.251667 8.963323\nNa Co P C O\n4 2 2 2 14\ndirect\n0.496902 0.237509 0.234485 Na\n0.003098 0.237509 0.234485 Na\n0.503098 0.762491 0.765515 Na\n0.996902 0.762491 0.765515 Na\n0.750000 0.783716 0.348627 Co\n0.250000 0.216284 0.651373 Co\n0.250000 0.711979 0.426614 P\n0.750000 0.288021 0.573386 P\n0.750000 0.722327 0.074596 C\n0.250000 0.277673 0.925404 C\n0.250000 0.312301 0.063266 O\n0.750000 0.946507 0.134259 O\n0.750000 0.533584 0.174277 O\n0.055259 0.796148 0.335028 O\n0.444741 0.796148 0.335028 O\n0.750000 0.156989 0.421641 O\n0.250000 0.416740 0.448808 O\n0.750000 0.583260 0.551192 O\n0.250000 0.843011 0.578359 O\n0.555259 0.203852 0.664972 O\n0.944741 0.203852 0.664972 O\n0.250000 0.466416 0.825723 O\n0.250000 0.053493 0.865741 O\n0.750000 0.687699 0.936734 O\n",
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},
{
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{
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}