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{
"id": "mp-1111543",
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"structure_string": "Na2 Ag1 As1 Cl6\n1.0\n0.000000 5.159066 5.159066\n5.159066 0.000000 5.159066\n5.159066 5.159066 0.000000\nNa Ag As Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 As\n0.757683 0.242317 0.242317 Cl\n0.242317 0.242317 0.757683 Cl\n0.242317 0.757683 0.757683 Cl\n0.242317 0.757683 0.242317 Cl\n0.757683 0.242317 0.757683 Cl\n0.757683 0.757683 0.242317 Cl\n",
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{
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"spacegroup": 38
},
{
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"structure_string": "Hf1 Ta1 N1 O3\n1.0\n3.523455 0.000000 0.000000\n0.000000 3.589589 0.000000\n0.000000 0.000000 5.294251\nHf Ta N O\n1 1 1 3\ndirect\n0.000000 0.000000 0.238067 Hf\n0.500000 0.500000 0.760672 Ta\n0.500000 0.000000 0.929078 N\n0.000000 0.500000 0.574610 O\n0.500000 0.000000 0.438362 O\n0.000000 0.500000 0.059211 O\n",
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"spacegroup": 25
},
{
"id": "mp-560708",
"created_at": "2022-09-04T14:43:52.346690Z",
"structure_string": "Si28 O56\n1.0\n8.562994 0.000000 0.000000\n0.000000 12.580356 0.000000\n0.000000 4.178812 14.647087\nSi O\n28 56\ndirect\n0.816139 0.883253 0.218371 Si\n0.685455 0.095321 0.594906 Si\n0.183861 0.883253 0.218371 Si\n0.314545 0.095321 0.594906 Si\n0.184398 0.859576 0.890321 Si\n0.813015 0.512538 0.098246 Si\n0.685528 0.246613 0.913095 Si\n0.815602 0.140424 0.109679 Si\n0.317155 0.706780 0.772415 Si\n0.314545 0.904679 0.405094 Si\n0.314472 0.753387 0.086905 Si\n0.186985 0.512538 0.098246 Si\n0.682845 0.293220 0.227585 Si\n0.183861 0.116747 0.781629 Si\n0.816790 0.861595 0.597759 Si\n0.183210 0.861595 0.597759 Si\n0.815602 0.859576 0.890321 Si\n0.183210 0.138405 0.402241 Si\n0.317155 0.293220 0.227585 Si\n0.813015 0.487462 0.901754 Si\n0.186985 0.487462 0.901754 Si\n0.685528 0.753387 0.086905 Si\n0.685455 0.904679 0.405094 Si\n0.682845 0.706780 0.772415 Si\n0.816139 0.116747 0.781629 Si\n0.184398 0.140424 0.109679 Si\n0.314472 0.246613 0.913095 Si\n0.816790 0.138405 0.402241 Si\n0.771616 0.634371 0.107504 O\n0.241420 0.838258 0.995411 O\n0.273219 0.421418 0.180014 O\n0.228384 0.365629 0.892496 O\n0.760847 0.138610 0.676312 O\n0.228384 0.634371 0.107504 O\n0.000000 0.828717 0.887397 O\n0.713893 0.195910 0.827330 O\n0.713893 0.804090 0.172670 O\n0.000000 0.492619 0.106828 O\n0.239153 0.861390 0.323688 O\n0.786225 0.988210 0.836943 O\n0.000000 0.171283 0.112603 O\n0.500000 0.715878 0.744167 O\n0.286107 0.195910 0.827330 O\n0.213480 0.249688 0.320089 O\n0.726781 0.421418 0.180014 O\n0.752278 0.500000 0.000000 O\n0.213480 0.750312 0.679911 O\n0.726781 0.578582 0.819986 O\n0.715518 0.218694 0.157466 O\n0.770386 0.160437 0.499472 O\n0.786520 0.249688 0.320089 O\n0.229614 0.160437 0.499472 O\n0.715518 0.781306 0.842534 O\n0.284482 0.781306 0.842534 O\n0.500000 0.121713 0.587693 O\n0.758580 0.838258 0.995411 O\n0.247722 0.500000 0.000000 O\n0.500000 0.737866 0.073342 O\n0.500000 0.262134 0.926658 O\n0.286107 0.804090 0.172670 O\n0.288694 0.037917 0.385123 O\n0.288694 0.962083 0.614877 O\n0.241420 0.161742 0.004589 O\n0.000000 0.852489 0.215184 O\n0.771616 0.365629 0.892496 O\n0.273219 0.578582 0.819986 O\n0.000000 0.896263 0.597053 O\n0.758580 0.161742 0.004589 O\n0.000000 0.147511 0.784816 O\n0.786520 0.750312 0.679911 O\n0.711306 0.962083 0.614877 O\n0.239153 0.138610 0.676312 O\n0.786225 0.011790 0.163057 O\n0.213775 0.011790 0.163057 O\n0.711306 0.037917 0.385123 O\n0.500000 0.284122 0.255833 O\n0.000000 0.103737 0.402947 O\n0.500000 0.878287 0.412307 O\n0.229614 0.839563 0.500528 O\n0.213775 0.988210 0.836943 O\n0.000000 0.507381 0.893172 O\n0.284482 0.218694 0.157466 O\n0.770386 0.839563 0.500528 O\n0.760847 0.861390 0.323688 O\n",
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"elements": [
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"chemical_system": "O-Si",
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"volume": 1577.8649602376963,
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"formula_full": "Si28 O56",
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"updated_at": "2021-11-28T01:36:20.601000Z",
"spacegroup": 10
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{
"id": "mp-29917",
"created_at": "2022-09-04T14:43:52.373257Z",
"structure_string": "Ca10 Cu12 O24\n1.0\n6.465745 0.000000 0.000000\n0.000000 5.472174 0.000000\n0.000000 4.400626 16.456160\nCa Cu O\n10 12 24\ndirect\n0.249240 0.504721 0.548027 Ca\n0.249240 0.495279 0.951973 Ca\n0.750760 0.495279 0.451973 Ca\n0.750760 0.504721 0.048027 Ca\n0.254295 0.509268 0.145269 Ca\n0.254295 0.490732 0.354731 Ca\n0.745705 0.490732 0.854731 Ca\n0.745705 0.509268 0.645269 Ca\n0.243855 0.500000 0.750000 Ca\n0.756145 0.500000 0.250000 Ca\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.986465 0.995107 0.834500 Cu\n0.986465 0.004893 0.665500 Cu\n0.013535 0.004893 0.165500 Cu\n0.013535 0.995107 0.334500 Cu\n0.489193 0.994392 0.918045 Cu\n0.489193 0.005608 0.581955 Cu\n0.510807 0.005608 0.081955 Cu\n0.510807 0.994392 0.418045 Cu\n0.486538 0.000000 0.750000 Cu\n0.513462 0.000000 0.250000 Cu\n0.040408 0.760405 0.606752 O\n0.040408 0.239595 0.893248 O\n0.959592 0.239595 0.393248 O\n0.959592 0.760405 0.106752 O\n0.944776 0.747346 0.935504 O\n0.944776 0.252654 0.564496 O\n0.055224 0.252654 0.064496 O\n0.055224 0.747346 0.435504 O\n0.975594 0.762302 0.768437 O\n0.975594 0.237698 0.731563 O\n0.024406 0.237698 0.231563 O\n0.024406 0.762302 0.268437 O\n0.557327 0.248726 0.977415 O\n0.557327 0.751274 0.522585 O\n0.442673 0.751274 0.022585 O\n0.442673 0.248726 0.477415 O\n0.454963 0.247716 0.650473 O\n0.454963 0.752284 0.849527 O\n0.545037 0.752284 0.349527 O\n0.545037 0.247716 0.150473 O\n0.506868 0.233178 0.812564 O\n0.506868 0.766822 0.687436 O\n0.493132 0.766822 0.187436 O\n0.493132 0.233178 0.312564 O\n",
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{
"id": "mp-561448",
"created_at": "2022-09-04T14:43:52.630441Z",
"structure_string": "Na16 Ce4 As16 O56\n1.0\n11.001058 0.000000 0.000000\n0.000000 11.001058 0.000000\n0.000000 0.000000 10.414131\nNa Ce As O\n16 4 16 56\ndirect\n0.425113 0.351138 0.395632 Na\n0.148862 0.074887 0.895632 Na\n0.648862 0.425113 0.604368 Na\n0.574887 0.648862 0.395632 Na\n0.851138 0.074887 0.395632 Na\n0.425113 0.648862 0.895632 Na\n0.925113 0.148862 0.104368 Na\n0.574887 0.351138 0.895632 Na\n0.925113 0.851138 0.604368 Na\n0.148862 0.925113 0.395632 Na\n0.851138 0.925113 0.895632 Na\n0.074887 0.851138 0.104368 Na\n0.074887 0.148862 0.604368 Na\n0.648862 0.574887 0.104368 Na\n0.351138 0.574887 0.604368 Na\n0.351138 0.425113 0.104368 Na\n0.500000 0.000000 0.930658 Ce\n0.000000 0.500000 0.069342 Ce\n0.500000 0.000000 0.430658 Ce\n0.000000 0.500000 0.569342 Ce\n0.773552 0.600615 0.822722 As\n0.600615 0.773552 0.677278 As\n0.773552 0.399385 0.322722 As\n0.399385 0.226448 0.677278 As\n0.600615 0.226448 0.177278 As\n0.226448 0.600615 0.322722 As\n0.226448 0.399385 0.822722 As\n0.100615 0.273552 0.322722 As\n0.399385 0.773552 0.177278 As\n0.899385 0.726448 0.322722 As\n0.273552 0.100615 0.177278 As\n0.726448 0.899385 0.177278 As\n0.899385 0.273552 0.822722 As\n0.100615 0.726448 0.822722 As\n0.726448 0.100615 0.677278 As\n0.273552 0.899385 0.677278 As\n0.947261 0.138293 0.881143 O\n0.750183 0.249817 0.250000 O\n0.488471 0.821476 0.302498 O\n0.321476 0.988471 0.802498 O\n0.011529 0.678524 0.697502 O\n0.866935 0.625636 0.442963 O\n0.133065 0.625636 0.942963 O\n0.138293 0.052739 0.118857 O\n0.874364 0.366935 0.442963 O\n0.625636 0.866935 0.057037 O\n0.552739 0.361707 0.118857 O\n0.374364 0.866935 0.557037 O\n0.678524 0.988471 0.302498 O\n0.749817 0.749817 0.250000 O\n0.366935 0.874364 0.057037 O\n0.488471 0.178524 0.802498 O\n0.361707 0.552739 0.381143 O\n0.321476 0.011529 0.302498 O\n0.125636 0.633065 0.442963 O\n0.633065 0.874364 0.557037 O\n0.874364 0.633065 0.942963 O\n0.821476 0.511529 0.697502 O\n0.178524 0.488471 0.697502 O\n0.638293 0.447261 0.381143 O\n0.511529 0.821476 0.802498 O\n0.250183 0.250183 0.250000 O\n0.178524 0.511529 0.197502 O\n0.249817 0.249817 0.750000 O\n0.678524 0.011529 0.802498 O\n0.552739 0.638293 0.618857 O\n0.988471 0.678524 0.197502 O\n0.374364 0.133065 0.057037 O\n0.249817 0.750183 0.250000 O\n0.821476 0.488471 0.197502 O\n0.366935 0.125636 0.557037 O\n0.861707 0.947261 0.118857 O\n0.361707 0.447261 0.881143 O\n0.511529 0.178524 0.302498 O\n0.866935 0.374364 0.942963 O\n0.447261 0.361707 0.618857 O\n0.638293 0.552739 0.881143 O\n0.052739 0.861707 0.881143 O\n0.947261 0.861707 0.381143 O\n0.625636 0.133065 0.557037 O\n0.749817 0.250183 0.750000 O\n0.011529 0.321476 0.197502 O\n0.988471 0.321476 0.697502 O\n0.861707 0.052739 0.618857 O\n0.447261 0.638293 0.118857 O\n0.750183 0.750183 0.750000 O\n0.052739 0.138293 0.381143 O\n0.633065 0.125636 0.057037 O\n0.125636 0.366935 0.942963 O\n0.133065 0.374364 0.442963 O\n0.250183 0.749817 0.750000 O\n0.138293 0.947261 0.618857 O\n",
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{
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"structure_string": "Li2 Mn2 V2 P4 H4 O20\n1.0\n-6.791253 0.000000 0.000000\n3.335121 6.565016 0.000000\n-0.169413 -0.653409 -8.103651\nLi Mn V P H O\n2 2 2 4 4 20\ndirect\n0.244080 0.149362 0.314183 Li\n0.755920 0.850638 0.685817 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 V\n0.000000 0.500000 0.500000 V\n0.713562 0.229877 0.160951 P\n0.787523 0.772115 0.339355 P\n0.212477 0.227885 0.660645 P\n0.286438 0.770123 0.839049 P\n0.134980 0.346662 0.147876 H\n0.648015 0.336029 0.660797 H\n0.351985 0.663971 0.339203 H\n0.865020 0.653338 0.852124 H\n0.661422 0.354185 0.035256 O\n0.988840 0.885048 0.235274 O\n0.514053 0.128838 0.269793 O\n0.765383 0.068949 0.062845 O\n0.266414 0.071808 0.551760 O\n0.924925 0.379786 0.265187 O\n0.833558 0.653724 0.472750 O\n0.422619 0.374249 0.765649 O\n0.227562 0.282039 0.100131 O\n0.728601 0.281801 0.584224 O\n0.271399 0.718199 0.415776 O\n0.772438 0.717961 0.899869 O\n0.577381 0.625751 0.234351 O\n0.166442 0.346276 0.527250 O\n0.075075 0.620214 0.734813 O\n0.733586 0.928192 0.448240 O\n0.234617 0.931051 0.937155 O\n0.485947 0.871162 0.730207 O\n0.011160 0.114952 0.764726 O\n0.338578 0.645815 0.964744 O\n",
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